Name | Module | Coverage 1x1 (%) | Coverage 1x2 (%) | Coverage 1x4 (%) | Coverage 1x8 (%) | Coverage 1x16 (%) | Coverage 1x32 (%) | Coverage 1x64 (%) | Coverage 1x128 (%) | Max Time Over Threads 1x1 (s) | Max Time Over Threads 1x2 (s) | Max Time Over Threads 1x4 (s) | Max Time Over Threads 1x8 (s) | Max Time Over Threads 1x16 (s) | Max Time Over Threads 1x32 (s) | Max Time Over Threads 1x64 (s) | Max Time Over Threads 1x128 (s) | Time w.r.t. Wall Time 1x1 (s) | Time w.r.t. Wall Time 1x2 (s) | Time w.r.t. Wall Time 1x4 (s) | Time w.r.t. Wall Time 1x8 (s) | Time w.r.t. Wall Time 1x16 (s) | Time w.r.t. Wall Time 1x32 (s) | Time w.r.t. Wall Time 1x64 (s) | Time w.r.t. Wall Time 1x128 (s) | Nb Threads 1x1 | Nb Threads 1x2 | Nb Threads 1x4 | Nb Threads 1x8 | Nb Threads 1x16 | Nb Threads 1x32 | Nb Threads 1x64 | Nb Threads 1x128 | Deviation (coverage) 1x1 | Deviation (coverage) 1x2 | Deviation (coverage) 1x4 | Deviation (coverage) 1x8 | Deviation (coverage) 1x16 | Deviation (coverage) 1x32 | Deviation (coverage) 1x64 | Deviation (coverage) 1x128 | Deviation (walltime) 1x1 | Deviation (walltime) 1x2 | Deviation (walltime) 1x4 | Deviation (walltime) 1x8 | Deviation (walltime) 1x16 | Deviation (walltime) 1x32 | Deviation (walltime) 1x64 | Deviation (walltime) 1x128 | Categories 1x1 | Categories 1x2 | Categories 1x4 | Categories 1x8 | Categories 1x16 | Categories 1x32 | Categories 1x64 | Categories 1x128 | Compilation Options | (1x1) Efficiency | (1x1) Potential Speed-Up (%) | (1x2) Efficiency | (1x2) Potential Speed-Up (%) | (1x4) Efficiency | (1x4) Potential Speed-Up (%) | (1x8) Efficiency | (1x8) Potential Speed-Up (%) | (1x16) Efficiency | (1x16) Potential Speed-Up (%) | (1x32) Efficiency | (1x32) Potential Speed-Up (%) | (1x64) Efficiency | (1x64) Potential Speed-Up (%) | (1x128) Efficiency | (1x128) Potential Speed-Up (%) |
►nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)+ | libgromacs.so.8 | 59.7 | 55.47 | 53.04 | 49.56 | 43.53 | 36.73 | 24.83 | 9.77 | 156.65 | 80.02 | 39.57 | 20.1 | 10.11 | 5.06 | 2.62 | 1.52 | 156.65 | 77.92 | 39.16 | 19.87 | 9.98 | 5.07 | 2.61 | 1.32 | 1 | 2 | 4 | 8 | 16 | 32 | 64 | 128 | 0.00 | 2.42 | 1.21 | 1.26 | 1.60 | 1.17 | 0.94 | 0.77 | 0.00 | 3.18 | 0.73 | 0.43 | 0.32 | 0.14 | 0.09 | 0.10 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I... | 1 | 0 | 1.01 | 0 | 1 | -0 | 0.99 | 0.72 | 0.98 | 0.83 | 0.97 | 1.27 | 0.94 | 1.54 | 0.93 | 0.71 |
►Loop 600 - kernel_outer.h:206-496 - libgromacs.so.8 [...]+ | | 1.21 | 1.16 | 1.06 | 1.01 | 0.88 | 0.68 | 0.46 | 0.17 | 3.17 | 1.68 | 0.95 | 0.66 | 0.32 | 0.15 | 0.12 | 0.06 | 3.17 | 1.62 | 0.78 | 0.4 | 0.2 | 0.09 | 0.05 | 0.02 | 1 | 2 | 4 | 8 | 16 | 32 | 64 | 127 | 0.00 | 0.06 | 0.16 | 0.29 | 0.23 | 0.21 | 0.20 | 0.09 | 0.00 | 0.08 | 0.11 | 0.11 | 0.05 | 0.03 | 0.02 | 0.01 | | | | | | | | | | 1 | 0 | 0.98 | 0.03 | 1.02 | 0 | 0.99 | 0.01 | 0.99 | 0.01 | 1.1 | 0 | 0.99 | 0 | 1.24 | 0 |
○Loop 605 - kernel_outer.h:431-431 - libgromacs.so.8 [...] | | 38.33 | 35.87 | 34.18 | 32.11 | 27.86 | 23.75 | 16.21 | 6.37 | 100.58 | 55.01 | 31.76 | 16.09 | 7.78 | 3.96 | 2.11 | 1.21 | 100.58 | 50.38 | 25.23 | 12.87 | 6.39 | 3.28 | 1.7 | 0.86 | 1 | 2 | 4 | 8 | 16 | 32 | 64 | 128 | 0.00 | 4.67 | 6.30 | 6.96 | 5.75 | 5.02 | 4.05 | 1.91 | 0.00 | 6.68 | 4.75 | 2.78 | 1.29 | 0.66 | 0.40 | 0.25 | | | | | | | | | | 1 | 0 | 1 | 0.06 | 1 | 0.12 | 0.98 | 0.74 | 0.98 | 0.45 | 0.96 | 0.99 | 0.92 | 1.22 | 0.91 | 0.55 |
○Loop 603 - kernel_outer.h:452-452 - libgromacs.so.8 [...] | | 15.72 | 14.29 | 13.91 | 12.81 | 11.51 | 9.49 | 6.42 | 2.55 | 41.24 | 26.92 | 15.38 | 8.12 | 4.37 | 2.43 | 1.64 | 0.93 | 41.24 | 20.07 | 10.27 | 5.14 | 2.64 | 1.31 | 0.67 | 0.34 | 1 | 2 | 4 | 8 | 16 | 32 | 64 | 128 | 0.00 | 6.99 | 7.28 | 7.82 | 6.85 | 5.85 | 4.63 | 2.11 | 0.00 | 9.75 | 5.31 | 3.07 | 1.52 | 0.76 | 0.45 | 0.27 | | | | | | | | | | 1 | 0 | 1.03 | 0 | 1 | 0 | 1 | 0 | 0.98 | 0.27 | 0.98 | 0.15 | 0.96 | 0.25 | 0.95 | 0.13 |
○Loop 606 - impl_x86_avx_256_simd_float.h:96-406 - libgromacs.so.8 [...] | | 1.87 | 1.61 | 1.63 | 1.46 | 1.35 | 1.17 | 0.69 | 0.27 | 4.91 | 2.34 | 1.54 | 0.73 | 0.47 | 0.25 | 0.11 | 0.09 | 4.91 | 2.26 | 1.2 | 0.58 | 0.31 | 0.16 | 0.07 | 0.04 | 1 | 2 | 4 | 8 | 16 | 32 | 64 | 128 | 0.00 | 0.08 | 0.32 | 0.31 | 0.37 | 0.37 | 0.23 | 0.13 | 0.00 | 0.12 | 0.24 | 0.12 | 0.08 | 0.05 | 0.02 | 0.02 | | | | | | | | | | 1 | 0 | 1.09 | 0 | 1.02 | 0 | 1.06 | 0 | 0.99 | 0.01 | 0.96 | 0.05 | 1.1 | 0 | 0.96 | 0.01 |
○Loop 604 - impl_x86_avx_256_simd_float.h:96-406 - libgromacs.so.8 [...] | | 1.43 | 1.44 | 1.29 | 1.25 | 1.07 | 0.91 | 0.58 | 0.21 | 3.75 | 2.61 | 1.45 | 0.89 | 0.43 | 0.26 | 0.17 | 0.1 | 3.75 | 2.02 | 0.95 | 0.5 | 0.25 | 0.13 | 0.06 | 0.03 | 1 | 2 | 4 | 8 | 16 | 32 | 64 | 120 | 0.00 | 0.60 | 0.66 | 0.79 | 0.67 | 0.61 | 0.44 | 0.19 | 0.00 | 0.83 | 0.48 | 0.31 | 0.15 | 0.08 | 0.04 | 0.02 | | | | | | | | | | 1 | 0 | 0.93 | 0.1 | 0.99 | 0.02 | 0.94 | 0.08 | 0.94 | 0.07 | 0.9 | 0.09 | 0.98 | 0.01 | 0.98 | 0 |
○Loop 601 - kernel_outer.h:473-473 - libgromacs.so.8 [...] | | 1.01 | 1 | 0.85 | 0.81 | 0.76 | 0.65 | 0.43 | 0.18 | 2.66 | 1.73 | 0.74 | 0.43 | 0.27 | 0.18 | 0.09 | 0.07 | 2.66 | 1.4 | 0.63 | 0.32 | 0.17 | 0.09 | 0.04 | 0.02 | 1 | 2 | 4 | 8 | 16 | 32 | 58 | 105 | 0.00 | 0.33 | 0.22 | 0.22 | 0.24 | 0.27 | 0.21 | 0.12 | 0.00 | 0.47 | 0.16 | 0.09 | 0.05 | 0.04 | 0.02 | 0.01 | | | | | | | | | | 1 | 0 | 0.95 | 0.05 | 1.06 | 0 | 1.04 | 0 | 0.98 | 0.02 | 0.92 | 0.05 | 1.04 | 0 | 1.04 | 0 |
○Loop 602 - kernel_outer.h:465-468 - libgromacs.so.8 [...] | | 0.13 | 0.11 | 0.11 | 0.11 | 0.09 | 0.07 | 0.05 | 0.02 | 0.34 | 0.2 | 0.11 | 0.08 | 0.04 | 0.03 | 0.03 | 0.02 | 0.34 | 0.16 | 0.08 | 0.05 | 0.02 | 0.01 | 0.01 | 0 | 1 | 2 | 4 | 8 | 16 | 29 | 34 | 42 | 0.00 | 0.04 | 0.05 | 0.06 | 0.05 | 0.05 | 0.05 | 0.02 | 0.00 | 0.06 | 0.04 | 0.02 | 0.01 | 0.01 | 0.01 | 0.00 | | | | | | | | | | 1 | 0 | 1.06 | 0 | 1.06 | 0 | 0.85 | 0.02 | 1.06 | 0 | 1.06 | -0 | 0.53 | 0.02 | 1 | 0 |
►nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*)+ | libgromacs.so.8 | 9.09 | 8.38 | 8.02 | 7.47 | 6.63 | 5.61 | 3.88 | 1.55 | 23.86 | 12.15 | 6.05 | 3.02 | 1.53 | 0.79 | 0.45 | 0.25 | 23.86 | 11.77 | 5.92 | 2.99 | 1.52 | 0.78 | 0.41 | 0.21 | 1 | 2 | 4 | 8 | 16 | 32 | 64 | 128 | 0.00 | 0.43 | 0.28 | 0.21 | 0.24 | 0.24 | 0.32 | 0.21 | 0.00 | 0.57 | 0.18 | 0.07 | 0.05 | 0.03 | 0.03 | 0.03 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I... | 1 | 0 | 1.01 | 0 | 1.01 | 0 | 1 | 0.02 | 0.98 | 0.13 | 0.96 | 0.25 | 0.91 | 0.35 | 0.89 | 0.17 |
►Loop 607 - kernel_outer.h:222-506 - libgromacs.so.8 [...]+ | | 0.15 | 0.16 | 0.16 | 0.13 | 0.12 | 0.08 | 0.07 | 0.03 | 0.39 | 0.22 | 0.16 | 0.08 | 0.05 | 0.02 | 0.02 | 0.02 | 0.39 | 0.22 | 0.12 | 0.05 | 0.03 | 0.01 | 0.01 | 0 | 1 | 2 | 4 | 8 | 16 | 27 | 49 | 71 | 0.00 | 0.01 | 0.05 | 0.04 | 0.06 | 0.04 | 0.04 | 0.03 | 0.00 | 0.01 | 0.03 | 0.02 | 0.01 | 0.01 | 0.00 | 0.00 | | | | | | | | | | 1 | 0 | 0.89 | 0.02 | 0.81 | 0.03 | 0.97 | 0 | 0.81 | 0.02 | 1.22 | 0 | 0.61 | 0.03 | 1 | 0 |
○Loop 612 - kernel_outer.h:431-431 - libgromacs.so.8 [...] | | 5.88 | 5.29 | 5.02 | 4.67 | 4.14 | 3.6 | 2.45 | 0.98 | 15.44 | 8.09 | 4.66 | 2.45 | 1.2 | 0.62 | 0.34 | 0.22 | 15.44 | 7.42 | 3.7 | 1.87 | 0.95 | 0.5 | 0.26 | 0.13 | 1 | 2 | 4 | 8 | 16 | 32 | 64 | 128 | 0.00 | 0.67 | 0.92 | 1.10 | 0.95 | 0.78 | 0.68 | 0.34 | 0.00 | 0.95 | 0.69 | 0.44 | 0.21 | 0.10 | 0.07 | 0.04 | | | | | | | | | | 1 | 0 | 1.04 | 0 | 1.04 | 0 | 1.03 | 0 | 1.02 | 0 | 0.96 | 0.13 | 0.93 | 0.18 | 0.93 | 0.07 |
○Loop 610 - kernel_outer.h:452-452 - libgromacs.so.8 [...] | | 2.33 | 2.16 | 2.11 | 2.04 | 1.79 | 1.46 | 1.01 | 0.41 | 6.12 | 4.05 | 2.37 | 1.31 | 0.69 | 0.38 | 0.28 | 0.16 | 6.12 | 3.04 | 1.56 | 0.82 | 0.41 | 0.2 | 0.11 | 0.05 | 1 | 2 | 4 | 8 | 16 | 32 | 64 | 127 | 0.00 | 1.03 | 1.15 | 1.23 | 1.08 | 0.94 | 0.77 | 0.33 | 0.00 | 1.44 | 0.84 | 0.48 | 0.24 | 0.12 | 0.08 | 0.04 | | | | | | | | | | 1 | 0 | 1.01 | 0 | 0.98 | 0.04 | 0.93 | 0.14 | 0.93 | 0.12 | 0.96 | 0.06 | 0.87 | 0.13 | 0.96 | 0.02 |
○Loop 613 - impl_x86_avx_256_simd_float.h:96-406 - libgromacs.so.8 [...] | | 0.3 | 0.3 | 0.31 | 0.27 | 0.23 | 0.2 | 0.13 | 0.05 | 0.79 | 0.43 | 0.3 | 0.14 | 0.08 | 0.05 | 0.03 | 0.02 | 0.79 | 0.43 | 0.23 | 0.11 | 0.05 | 0.03 | 0.01 | 0.01 | 1 | 2 | 4 | 8 | 16 | 32 | 58 | 98 | 0.00 | 0.01 | 0.07 | 0.06 | 0.09 | 0.08 | 0.08 | 0.04 | 0.00 | 0.01 | 0.05 | 0.02 | 0.02 | 0.01 | 0.01 | 0.00 | | | | | | | | | | 1 | 0 | 0.92 | 0.02 | 0.86 | 0.04 | 0.9 | 0.03 | 0.99 | 0 | 0.82 | 0.04 | 1.23 | 0 | 0.62 | 0.02 |
○Loop 611 - simd_diagonal_masker.h:104-169 - libgromacs.so.8 [...] | | 0.27 | 0.28 | 0.23 | 0.23 | 0.23 | 0.17 | 0.14 | 0.05 | 0.72 | 0.5 | 0.22 | 0.16 | 0.11 | 0.06 | 0.05 | 0.04 | 0.72 | 0.4 | 0.17 | 0.09 | 0.05 | 0.02 | 0.02 | 0.01 | 1 | 2 | 4 | 8 | 15 | 31 | 54 | 74 | 0.00 | 0.11 | 0.10 | 0.15 | 0.15 | 0.11 | 0.13 | 0.06 | 0.00 | 0.16 | 0.07 | 0.06 | 0.03 | 0.01 | 0.01 | 0.01 | | | | | | | | | | 1 | 0 | 0.9 | 0.03 | 1.06 | 0 | 1 | 0 | 0.9 | 0.02 | 1.13 | 0 | 0.56 | 0.06 | 0.56 | 0.02 |
○Loop 608 - kernel_outer.h:473-473 - libgromacs.so.8 [...] | | 0.14 | 0.17 | 0.17 | 0.13 | 0.1 | 0.1 | 0.07 | 0.03 | 0.36 | 0.29 | 0.18 | 0.1 | 0.04 | 0.03 | 0.02 | 0.02 | 0.36 | 0.24 | 0.12 | 0.05 | 0.02 | 0.01 | 0.01 | 0 | 1 | 2 | 4 | 8 | 15 | 31 | 43 | 60 | 0.00 | 0.05 | 0.06 | 0.06 | 0.04 | 0.05 | 0.05 | 0.03 | 0.00 | 0.07 | 0.05 | 0.02 | 0.01 | 0.01 | 0.00 | 0.00 | | | | | | | | | | 1 | 0 | 0.75 | 0.04 | 0.75 | 0.04 | 0.9 | 0.01 | 1.13 | 0 | 1.13 | 0 | 0.56 | 0.03 | 1 | 0 |
○Loop 609 - kernel_outer.h:465-468 - libgromacs.so.8 [...] | | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.01 | 0.01 | 0 | 0.05 | 0.02 | 0.02 | 0.02 | 0.01 | 0.01 | 0 | 0.01 | 0.04 | 0.02 | 0.02 | 0.01 | 0 | 0 | 0 | 0 | 1 | 2 | 4 | 4 | 7 | 7 | 10 | 12 | 0.00 | 0.00 | 0.01 | 0.03 | 0.02 | 0.02 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | 1 | 0 | 1 | 0 | 0.5 | 0.01 | 0.5 | 0.01 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
►spread_on_grid(gmx_pme_t const*, PmeAtomComm*, pmegrids_t const*, bool, bool, float*, bool, int) [clone .extracted.11]+ | libgromacs.so.8 | 4.07 | 3.59 | 3.6 | 4.13 | 3.66 | 2.68 | 2.05 | 1.32 | 10.68 | 5.97 | 3.1 | 2.27 | 1.08 | 0.46 | 0.28 | 0.31 | 10.68 | 5.04 | 2.66 | 1.65 | 0.84 | 0.37 | 0.22 | 0.18 | 1 | 2 | 4 | 8 | 16 | 32 | 64 | 128 | 0.00 | 0.96 | 0.71 | 0.89 | 0.77 | 0.53 | 0.44 | 0.38 | 0.00 | 1.33 | 0.51 | 0.35 | 0.17 | 0.07 | 0.04 | 0.05 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I... | 1 | 0 | 1.06 | 0 | 1 | 0 | 0.81 | 0.79 | 0.79 | 0.75 | 0.9 | 0.26 | 0.76 | 0.5 | 0.46 | 0.71 |
►Loop 16283 - pme_spread.cpp:188-988 - libgromacs.so.8 [...]+ | | 0 | 0 | 0 | 0.01 | 0 | 0 | 0.01 | 0.01 | 0 | 0 | 0 | 0.01 | 0 | 0.01 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 3 | 3 | 3 | 9 | 20 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 16294 - pme_spread.cpp:358-400 - libgromacs.so.8 [...]+ | | 2.65 | 2.14 | 2.17 | 2.08 | 1.96 | 1.34 | 1.03 | 0.66 | 6.94 | 3.58 | 1.88 | 1.3 | 0.65 | 0.24 | 0.15 | 0.17 | 6.94 | 3 | 1.6 | 0.83 | 0.45 | 0.18 | 0.11 | 0.09 | 1 | 2 | 4 | 8 | 16 | 32 | 64 | 127 | 0.00 | 0.60 | 0.43 | 0.59 | 0.50 | 0.30 | 0.24 | 0.24 | 0.00 | 0.83 | 0.31 | 0.23 | 0.11 | 0.04 | 0.02 | 0.03 | | | | | | | | | | 1 | 0 | 1.16 | 0 | 1.08 | 0 | 1.05 | 0 | 0.96 | 0.07 | 1.2 | 0 | 0.99 | 0.01 | 0.6 | 0.26 |
○Loop 16300 - pme_simd4.h:138-148 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 16296 - pme_spread.cpp:400-400 - libgromacs.so.8+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 16297 - pme_spread.cpp:400-400 - libgromacs.so.8+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 16299 - pme_spread.cpp:400-400 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 16295 - pme_spread.cpp:400-400 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 16298 - pme_spread.cpp:400-400 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 16301 - pme_spread.cpp:277-975 - libgromacs.so.8 [...]+ | | 1.42 | 1.38 | 1.38 | 1.98 | 1.54 | 1.16 | 0.85 | 0.43 | 3.73 | 2.25 | 1.19 | 0.94 | 0.47 | 0.22 | 0.14 | 0.13 | 3.73 | 1.94 | 1.02 | 0.79 | 0.35 | 0.16 | 0.09 | 0.06 | 1 | 2 | 4 | 8 | 16 | 32 | 64 | 128 | 0.00 | 0.32 | 0.29 | 0.35 | 0.34 | 0.27 | 0.28 | 0.20 | 0.00 | 0.44 | 0.21 | 0.14 | 0.08 | 0.03 | 0.03 | 0.03 | | | | | | | | | | 1 | 0 | 0.96 | 0.05 | 0.91 | 0.12 | 0.59 | 0.81 | 0.67 | 0.51 | 0.73 | 0.31 | 0.65 | 0.3 | 0.49 | 0.22 |
►Loop 16302 - pme_spread.cpp:292-292 - libgromacs.so.8+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 16304 - pme_spread.cpp:292-292 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 16303 - pme_spread.cpp:292-292 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 16306 - pme_spread.cpp:292-292 - libgromacs.so.8+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 16305 - pme_spread.cpp:292-292 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 16307 - pme_spread.cpp:188-199 - libgromacs.so.8 [...]+ | | 0 | 0 | 0 | 0 | 0.01 | 0.02 | 0.04 | 0.12 | 0 | 0 | 0 | 0 | 0.01 | 0.01 | 0.01 | 0.04 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.02 | 0 | 0 | 0 | 2 | 5 | 15 | 39 | 120 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.02 | 0.02 | 0.06 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 16308 - pme_spread.cpp:197-199 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0.01 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0.01 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 7 | 12 | 14 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.02 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 16309 - pme_spread.cpp:197-199 - libgromacs.so.8 | | 0 | 0.06 | 0.04 | 0.06 | 0.12 | 0.13 | 0.09 | 0.07 | 0 | 0.12 | 0.04 | 0.04 | 0.05 | 0.04 | 0.03 | 0.03 | 0 | 0.08 | 0.03 | 0.02 | 0.03 | 0.02 | 0.01 | 0.01 | 0 | 2 | 4 | 8 | 16 | 31 | 51 | 106 | 0.00 | 0.04 | 0.01 | 0.02 | 0.05 | 0.07 | 0.06 | 0.05 | 0.00 | 0.06 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | | | | | | | | | | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
►Loop 16284 - pme_spread.cpp:439-447 - libgromacs.so.8+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 16286 - pme_spread.cpp:441-447 - libgromacs.so.8+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 16285 - pme_spread.cpp:445-447 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 16287 - pme_spread.cpp:445-447 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 16291 - pme_spread.cpp:439-447 - libgromacs.so.8+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 16292 - pme_spread.cpp:441-447 - libgromacs.so.8+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 16293 - pme_spread.cpp:445-447 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 16288 - pme_spread.cpp:439-447 - libgromacs.so.8 [...]+ | | 0 | 0 | 0 | 0 | 0.01 | 0 | 0.01 | 0.01 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0.01 | 0.02 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 6 | 1 | 11 | 35 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.02 | 0.02 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 16289 - pme_spread.cpp:441-447 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 16290 - pme_spread.cpp:441-447 - libgromacs.so.8 [...] | | 0 | 0.01 | 0.02 | 0.01 | 0.01 | 0.02 | 0.01 | 0.03 | 0 | 0.01 | 0.03 | 0.01 | 0.02 | 0.01 | 0.01 | 0.02 | 0 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 4 | 4 | 5 | 13 | 16 | 63 | 0.00 | 0.00 | 0.02 | 0.01 | 0.03 | 0.01 | 0.02 | 0.04 | 0.00 | 0.00 | 0.01 | 0.00 | 0.01 | 0.00 | 0.00 | 0.01 | | | | | | | | | | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
►gather_f_bsplines(gmx_pme_t const*, float const*, bool, PmeAtomComm const*, splinedata_t const*, float)+ | libgromacs.so.8 | 3.57 | 3.94 | 3.85 | 3.73 | 2.95 | 2.57 | 2.23 | 1.84 | 9.38 | 6.32 | 3.3 | 1.69 | 0.85 | 0.47 | 0.32 | 0.36 | 9.38 | 5.53 | 2.85 | 1.49 | 0.68 | 0.35 | 0.23 | 0.25 | 1 | 2 | 4 | 8 | 16 | 32 | 64 | 127 | 0.00 | 0.82 | 0.51 | 0.59 | 0.61 | 0.65 | 0.49 | 0.60 | 0.00 | 1.13 | 0.37 | 0.23 | 0.13 | 0.09 | 0.05 | 0.08 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I... | 1 | 0 | 0.85 | 0.6 | 0.82 | 0.68 | 0.79 | 0.79 | 0.86 | 0.41 | 0.84 | 0.42 | 0.64 | 0.81 | 0.29 | 1.3 |
►Loop 16009 - pme_gather.cpp:94-348 - libgromacs.so.8 [...]+ | | 1.71 | 1.67 | 1.68 | 1.69 | 1.39 | 1.25 | 0.87 | 0.52 | 4.5 | 2.59 | 1.56 | 0.81 | 0.4 | 0.23 | 0.14 | 0.15 | 4.5 | 2.34 | 1.24 | 0.68 | 0.32 | 0.17 | 0.09 | 0.07 | 1 | 2 | 4 | 8 | 16 | 32 | 64 | 125 | 0.00 | 0.26 | 0.34 | 0.32 | 0.28 | 0.31 | 0.29 | 0.25 | 0.00 | 0.35 | 0.24 | 0.13 | 0.06 | 0.04 | 0.03 | 0.03 | | | | | | | | | | 1 | 0 | 0.96 | 0.06 | 0.91 | 0.16 | 0.83 | 0.29 | 0.88 | 0.17 | 0.83 | 0.22 | 0.78 | 0.19 | 0.5 | 0.26 |
○Loop 16008 - pme_gather.cpp:156-156 - libgromacs.so.8 [...] | | 1.86 | 2.27 | 2.17 | 2.04 | 1.57 | 1.32 | 1.36 | 1.32 | 4.88 | 3.73 | 1.74 | 1 | 0.48 | 0.26 | 0.21 | 0.28 | 4.88 | 3.19 | 1.6 | 0.82 | 0.36 | 0.18 | 0.14 | 0.18 | 1 | 2 | 4 | 8 | 16 | 32 | 64 | 127 | 0.00 | 0.56 | 0.20 | 0.36 | 0.37 | 0.41 | 0.31 | 0.47 | 0.00 | 0.78 | 0.14 | 0.14 | 0.08 | 0.05 | 0.03 | 0.06 | | | | | | | | | | 1 | 0 | 0.76 | 0.53 | 0.76 | 0.52 | 0.74 | 0.52 | 0.85 | 0.24 | 0.85 | 0.2 | 0.54 | 0.62 | 0.21 | 1.04 |
○Loop 16014 - pme_gather.cpp:247-251 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 16011 - pme_gather.cpp:103-323 - libgromacs.so.8 [...]+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 16012 - pme_gather.cpp:103-323 - libgromacs.so.8 [...]+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 16013 - pme_gather.cpp:116-120 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 16010 - pme_gather.cpp:116-120 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t*, gmx::ListOfLists<int> const&, int, t_nrnb*, SearchCycleCounting*) [clone .extracted.67]+ | libgromacs.so.8 | 2.39 | 2.32 | 2.22 | 2.07 | 1.85 | 1.59 | 1.09 | 0.42 | 6.28 | 3.34 | 1.66 | 0.86 | 0.43 | 0.23 | 0.14 | 0.09 | 6.28 | 3.26 | 1.64 | 0.83 | 0.42 | 0.22 | 0.11 | 0.06 | 1 | 2 | 4 | 8 | 16 | 32 | 64 | 128 | 0.00 | 0.09 | 0.09 | 0.10 | 0.05 | 0.11 | 0.15 | 0.11 | 0.00 | 0.12 | 0.06 | 0.04 | 0.01 | 0.01 | 0.01 | 0.01 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I... | 1 | 0 | 0.96 | 0.09 | 0.96 | 0.09 | 0.95 | 0.11 | 0.93 | 0.12 | 0.89 | 0.17 | 0.89 | 0.12 | 0.82 | 0.08 |
►Loop 3480 - vector.tcc:617-680 - libgromacs.so.8 [...]+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 3478 - pairlist.cpp:162-4119 - libgromacs.so.8 [...]+ | | 0.03 | 0.04 | 0.02 | 0.01 | 0.01 | 0.02 | 0.01 | 0 | 0.07 | 0.06 | 0.02 | 0.01 | 0.01 | 0.01 | 0.01 | 0 | 0.07 | 0.05 | 0.02 | 0.01 | 0 | 0 | 0 | 0 | 1 | 2 | 4 | 5 | 6 | 11 | 16 | 8 | 0.00 | 0.02 | 0.01 | 0.01 | 0.02 | 0.02 | 0.01 | 0.00 | 0.00 | 0.02 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | 1 | 0 | 0.7 | 0.01 | 0.88 | 0 | 0.88 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
►Loop 3477 - stl_vector.h:919-1798 - libgromacs.so.8 [...]+ | | 0.04 | 0.04 | 0.04 | 0.04 | 0.04 | 0.03 | 0.01 | 0.01 | 0.11 | 0.05 | 0.05 | 0.03 | 0.02 | 0.02 | 0.01 | 0.02 | 0.11 | 0.05 | 0.03 | 0.02 | 0.01 | 0 | 0 | 0 | 1 | 2 | 4 | 8 | 13 | 19 | 16 | 21 | 0.00 | 0.00 | 0.02 | 0.02 | 0.02 | 0.03 | 0.01 | 0.03 | 0.00 | 0.00 | 0.02 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | 1 | 0 | 1.1 | -0 | 0.92 | 0 | 0.69 | 0.01 | 0.69 | 0.01 | 1 | 0 | 1 | 0 | 1 | 0 |
►Loop 3485 - pairlist.cpp:1330-1430 - libgromacs.so.8 [...]+ | | 0.02 | 0.02 | 0.02 | 0.02 | 0.01 | 0.01 | 0.02 | 0.01 | 0.06 | 0.03 | 0.02 | 0.02 | 0.01 | 0.01 | 0.01 | 0.01 | 0.06 | 0.03 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 1 | 2 | 4 | 6 | 6 | 11 | 19 | 19 | 0.00 | 0.00 | 0.01 | 0.01 | 0.01 | 0.01 | 0.03 | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | 1 | 0 | 1 | 0 | 1.5 | 0 | 0.75 | 0.01 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
►Loop 3486 - pairlist.cpp:1330-1430 - libgromacs.so.8 [...]+ | | 0.09 | 0.08 | 0.09 | 0.08 | 0.06 | 0.07 | 0.05 | 0.02 | 0.24 | 0.13 | 0.07 | 0.07 | 0.03 | 0.02 | 0.02 | 0.02 | 0.24 | 0.11 | 0.06 | 0.03 | 0.01 | 0.01 | 0.01 | 0 | 1 | 2 | 4 | 8 | 14 | 28 | 42 | 62 | 0.00 | 0.02 | 0.01 | 0.04 | 0.05 | 0.04 | 0.04 | 0.03 | 0.00 | 0.02 | 0.01 | 0.02 | 0.01 | 0.00 | 0.00 | 0.00 | | | | | | | | | | 1 | 0 | 1.09 | 0 | 1 | 0 | 1 | 0 | 1.5 | 0 | 0.75 | 0.02 | 0.38 | 0.03 | 1 | 0 |
○Loop 3487 - pairlist.cpp:1341-1351 - libgromacs.so.8 [...] | | 0.03 | 0.02 | 0.02 | 0.04 | 0.02 | 0.02 | 0.02 | 0.01 | 0.09 | 0.04 | 0.02 | 0.03 | 0.01 | 0.01 | 0.01 | 0.01 | 0.09 | 0.04 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 1 | 2 | 4 | 7 | 8 | 13 | 15 | 17 | 0.00 | 0.00 | 0.00 | 0.02 | 0.02 | 0.02 | 0.02 | 0.01 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | 1 | 0 | 1.13 | -0 | 2.25 | 0 | 1.13 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
►Loop 3476 - pairlist.cpp:194-4119 - libgromacs.so.8 [...]+ | | 0.02 | 0.02 | 0.02 | 0.01 | 0.02 | 0.02 | 0.01 | 0 | 0.06 | 0.02 | 0.02 | 0.02 | 0.01 | 0.01 | 0.01 | 0.01 | 0.06 | 0.02 | 0.02 | 0.01 | 0 | 0 | 0 | 0 | 1 | 2 | 4 | 6 | 10 | 13 | 10 | 12 | 0.00 | 0.00 | 0.01 | 0.01 | 0.01 | 0.03 | 0.02 | 0.02 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | 1 | 0 | 1.5 | 0 | 0.75 | 0.01 | 0.75 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
►Loop 3475 - pairlist.cpp:194-4119 - libgromacs.so.8 [...]+ | | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0 | 0 | 0 | 0.03 | 0.02 | 0.02 | 0.02 | 0 | 0 | 0 | 0 | 0.03 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 0 | 1 | 2 | 2 | 3 | 4 | 4 | 5 | 9 | 0.00 | 0.01 | 0.00 | 0.02 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 3474 - pairlist.cpp:233-4119 - libgromacs.so.8 [...]+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 2 | 1 | 0 | 0 | 1 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 3473 - pairlist.cpp:233-4119 - libgromacs.so.8 [...]+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 1 | 0 | 1 | 3 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 3472 - pairlist.cpp:2885-2888 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 3471 - pairlist.cpp:233-4119 - libgromacs.so.8 [...]+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 3511 - pairlist.cpp:2998-2998 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 3434 - pairlist.cpp:233-4119 - libgromacs.so.8 [...]+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 3470 - pairlist.cpp:268-3242 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 3436 - pairlist.cpp:240-4119 - libgromacs.so.8 [...]+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 3435 - pairlist.cpp:2885-2888 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 3437 - pairlist.cpp:240-4119 - libgromacs.so.8 [...]+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 3438 - pairlist.cpp:240-4119 - libgromacs.so.8 [...]+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 3468 - pairlist.cpp:291-293 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 3469 - pairlist.cpp:282-286 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 3439 - pairlist.cpp:240-4119 - libgromacs.so.8 [...]+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 3440 - pairlist.cpp:2450-2461 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 3447 - pairlist.cpp:894-2039 - libgromacs.so.8 [...]+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 3448 - pairlist.cpp:894-2039 - libgromacs.so.8 [...]+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 3449 - pairlist.cpp:1341-1351 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 3450 - pairlist.cpp:1279-1282 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 3451 - pairlist.cpp:240-4059 - libgromacs.so.8 [...]+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 3452 - pairlist.cpp:240-4059 - libgromacs.so.8 [...]+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 3462 - pairlist.cpp:3520-3522 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 3453 - pairlist.cpp:240-4059 - libgromacs.so.8 [...]+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 3454 - pairlist.cpp:240-4059 - libgromacs.so.8 [...]+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 3461 - pairlist.cpp:560-613 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 3459 - pairlist.cpp:929-4059 - libgromacs.so.8 [...]+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 3455 - pairlist.cpp:931-933 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 3460 - pairlist.cpp:931-933 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 3457 - pairlist.cpp:929-4059 - libgromacs.so.8 [...]+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 3456 - pairlist.cpp:931-933 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 3458 - pairlist.cpp:931-933 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 3463 - pairlist.cpp:3505-3507 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 3467 - pairlist.cpp:282-286 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 3466 - pairlist.cpp:289-293 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 3442 - pairlist.cpp:894-1937 - libgromacs.so.8 [...]+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 3443 - pairlist.cpp:894-1937 - libgromacs.so.8 [...]+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 3444 - pairlist.cpp:894-1919 - libgromacs.so.8 [...]+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 3445 - grid.h:239-295 - libgromacs.so.8 [...]+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 3446 - pairlist.cpp:894-1919 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 3465 - pairlist.cpp:2450-2461 - libgromacs.so.8+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 3464 - pairlist.cpp:2454-2461 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 3441 - pairlist.cpp:931-2216 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 3509 - pairlist.cpp:268-3242 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 3510 - pairlist.cpp:2998-2998 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 3507 - pairlist.cpp:291-293 - libgromacs.so.8 | | 0.01 | 0.01 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 0.04 | 0.01 | 0.01 | 0.01 | 0 | 0.01 | 0 | 0 | 0.04 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 0 | 1 | 2 | 3 | 5 | 2 | 2 | 1 | 4 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.03 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 3508 - pairlist.cpp:282-286 - libgromacs.so.8 | | 0.01 | 0.02 | 0.01 | 0.01 | 0.01 | 0 | 0 | 0 | 0.03 | 0.04 | 0.01 | 0.01 | 0 | 0.01 | 0 | 0 | 0.03 | 0.03 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 2 | 3 | 3 | 4 | 4 | 4 | 9 | 0.00 | 0.01 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.02 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 3489 - pairlist.cpp:162-4097 - libgromacs.so.8 [...]+ | | 0.02 | 0.02 | 0.02 | 0.03 | 0.01 | 0.01 | 0.01 | 0.01 | 0.05 | 0.04 | 0.02 | 0.02 | 0.01 | 0.01 | 0 | 0.01 | 0.04 | 0.02 | 0.02 | 0.01 | 0 | 0 | 0 | 0 | 1 | 2 | 4 | 7 | 8 | 9 | 13 | 14 | 0.00 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.02 | 0.00 | 0.02 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | 1 | 0 | 1 | 0 | 0.5 | 0.01 | 0.5 | 0.01 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
►Loop 3490 - pairlist_simd_4xm.h:136-273 - libgromacs.so.8 [...]+ | | 0.5 | 0.47 | 0.42 | 0.38 | 0.34 | 0.32 | 0.19 | 0.07 | 1.3 | 0.68 | 0.36 | 0.18 | 0.11 | 0.08 | 0.04 | 0.03 | 1.3 | 0.66 | 0.31 | 0.15 | 0.08 | 0.04 | 0.02 | 0.01 | 1 | 2 | 4 | 8 | 16 | 32 | 63 | 111 | 0.00 | 0.02 | 0.10 | 0.05 | 0.10 | 0.11 | 0.08 | 0.05 | 0.00 | 0.02 | 0.07 | 0.02 | 0.02 | 0.01 | 0.01 | 0.01 | | | | | | | | | | 1 | 0 | 0.98 | 0.01 | 1.05 | 0 | 1.08 | 0 | 1.02 | 0 | 1.02 | 0 | 1.02 | -0 | 1.02 | -0 |
○Loop 3497 - pairlist_simd_4xm.h:136-193 - libgromacs.so.8 [...] | | 0.76 | 0.66 | 0.71 | 0.65 | 0.63 | 0.5 | 0.34 | 0.11 | 2 | 0.94 | 0.55 | 0.28 | 0.19 | 0.11 | 0.06 | 0.03 | 2 | 0.92 | 0.52 | 0.26 | 0.14 | 0.07 | 0.04 | 0.02 | 1 | 2 | 4 | 8 | 16 | 32 | 64 | 116 | 0.00 | 0.02 | 0.07 | 0.08 | 0.13 | 0.13 | 0.13 | 0.06 | 0.00 | 0.02 | 0.05 | 0.03 | 0.03 | 0.02 | 0.01 | 0.01 | | | | | | | | | | 1 | 0 | 1.09 | 0 | 0.96 | 0.03 | 0.96 | 0.03 | 0.89 | 0.07 | 0.89 | 0.05 | 0.78 | 0.07 | 0.78 | 0.02 |
○Loop 3503 - pairlist.cpp:3520-3522 - libgromacs.so.8 | | 0.39 | 0.36 | 0.34 | 0.3 | 0.3 | 0.23 | 0.16 | 0.06 | 1.02 | 0.51 | 0.29 | 0.16 | 0.09 | 0.05 | 0.04 | 0.03 | 1.02 | 0.51 | 0.25 | 0.12 | 0.07 | 0.03 | 0.02 | 0.01 | 1 | 2 | 4 | 8 | 16 | 32 | 64 | 105 | 0.00 | 0.00 | 0.05 | 0.07 | 0.08 | 0.08 | 0.08 | 0.04 | 0.00 | 0.01 | 0.04 | 0.03 | 0.02 | 0.01 | 0.01 | 0.01 | | | | | | | | | | 1 | 0 | 1 | 0 | 1.02 | 0 | 1.06 | 0 | 0.91 | 0.03 | 1.06 | 0 | 0.8 | 0.03 | 0.8 | 0.01 |
○Loop 3496 - pairlist_simd_4xm.h:204-260 - libgromacs.so.8 [...] | | 0.2 | 0.22 | 0.18 | 0.16 | 0.14 | 0.12 | 0.12 | 0.04 | 0.53 | 0.36 | 0.14 | 0.11 | 0.05 | 0.03 | 0.02 | 0.02 | 0.53 | 0.32 | 0.13 | 0.06 | 0.03 | 0.02 | 0.01 | 0.01 | 1 | 2 | 4 | 8 | 16 | 30 | 57 | 90 | 0.00 | 0.05 | 0.01 | 0.06 | 0.05 | 0.06 | 0.06 | 0.03 | 0.00 | 0.07 | 0.01 | 0.02 | 0.01 | 0.01 | 0.01 | 0.00 | | | | | | | | | | 1 | 0 | 0.83 | 0.04 | 1.02 | -0 | 1.1 | 0 | 1.1 | 0 | 0.83 | 0.02 | 0.83 | 0.02 | 0.41 | 0.02 |
○Loop 3504 - pairlist.cpp:3505-3507 - libgromacs.so.8 | | 0.09 | 0.08 | 0.07 | 0.08 | 0.04 | 0.04 | 0.03 | 0.02 | 0.24 | 0.13 | 0.06 | 0.05 | 0.03 | 0.02 | 0.01 | 0.01 | 0.25 | 0.12 | 0.05 | 0.03 | 0.01 | 0.01 | 0 | 0 | 1 | 2 | 4 | 8 | 13 | 19 | 29 | 45 | 0.00 | 0.01 | 0.01 | 0.03 | 0.04 | 0.03 | 0.03 | 0.02 | 0.00 | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 0.00 | | | | | | | | | | 1 | 0 | 1.04 | -0 | 1.25 | 0 | 1.04 | -0 | 1.56 | 0 | 0.78 | 0.01 | 1 | 0 | 1 | 0 |
○Loop 3495 - pairlist.cpp:162-963 - libgromacs.so.8 [...] | | 0.08 | 0.11 | 0.1 | 0.09 | 0.09 | 0.07 | 0.04 | 0.02 | 0.2 | 0.16 | 0.09 | 0.06 | 0.03 | 0.02 | 0.01 | 0.02 | 0.2 | 0.15 | 0.08 | 0.04 | 0.02 | 0.01 | 0 | 0 | 1 | 2 | 4 | 8 | 16 | 29 | 43 | 50 | 0.00 | 0.01 | 0.02 | 0.03 | 0.03 | 0.04 | 0.03 | 0.02 | 0.00 | 0.02 | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | | | | | | | | | | 1 | 0 | 0.67 | 0.04 | 0.63 | 0.04 | 0.63 | 0.03 | 0.63 | 0.03 | 0.63 | 0.03 | 1 | 0 | 1 | 0 |
○Loop 3491 - pairlist.cpp:3115-3115 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 3501 - pairlist.cpp:1012-1046 - libgromacs.so.8 [...]+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 3502 - pairlist.cpp:1029-1041 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 3494 - pairlist_simd_2xmm.h:130-174 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 3499 - pairlist.cpp:1057-1091 - libgromacs.so.8 [...]+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 3500 - pairlist.cpp:1074-1086 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 3493 - pairlist_simd_2xmm.h:185-229 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 3498 - stl_vector.h:1189-1198 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 3492 - stl_vector.h:1189-1198 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 3506 - pairlist.cpp:282-286 - libgromacs.so.8 | | 0 | 0 | 0.01 | 0.01 | 0.01 | 0 | 0 | 0 | 0.01 | 0.01 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 0.01 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 3 | 4 | 4 | 3 | 1 | 3 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 3505 - pairlist.cpp:289-293 - libgromacs.so.8 | | 0 | 0.01 | 0.01 | 0.01 | 0.01 | 0 | 0.01 | 0 | 0.01 | 0.02 | 0.02 | 0.02 | 0.01 | 0.01 | 0 | 0 | 0.01 | 0.01 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 1 | 2 | 4 | 5 | 7 | 3 | 9 | 3 | 0.00 | 0.01 | 0.01 | 0.01 | 0.01 | 0.02 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 3482 - stl_vector.h:919-1798 - libgromacs.so.8 [...]+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 3483 - pairlist.cpp:1442-1733 - libgromacs.so.8 [...]+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 3484 - pairlist.cpp:1442-1733 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 3488 - pairlist.cpp:1279-1282 - libgromacs.so.8 | | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 2 | 1 | 3 | 2 | 0 | 3 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 3517 - pairlist.cpp:2082-2086 - libgromacs.so.8 [...] | | 0.03 | 0.04 | 0.03 | 0.03 | 0.02 | 0.02 | 0.01 | 0.01 | 0.08 | 0.08 | 0.04 | 0.02 | 0.01 | 0.02 | 0.01 | 0.01 | 0.08 | 0.06 | 0.02 | 0.01 | 0 | 0 | 0 | 0 | 1 | 2 | 4 | 8 | 10 | 12 | 16 | 16 | 0.00 | 0.02 | 0.02 | 0.01 | 0.01 | 0.03 | 0.01 | 0.01 | 0.00 | 0.03 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | 1 | 0 | 0.67 | 0.01 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
○Loop 3515 - pairlist.cpp:2092-2096 - libgromacs.so.8 [...] | | 0.03 | 0.02 | 0.03 | 0.02 | 0.01 | 0.03 | 0.01 | 0.01 | 0.09 | 0.04 | 0.02 | 0.02 | 0.01 | 0.01 | 0 | 0.01 | 0.09 | 0.03 | 0.02 | 0.01 | 0 | 0 | 0 | 0 | 1 | 2 | 4 | 8 | 4 | 17 | 16 | 17 | 0.00 | 0.01 | 0.01 | 0.01 | 0.01 | 0.02 | 0.00 | 0.02 | 0.00 | 0.01 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | 1 | 0 | 1.5 | 0 | 1.13 | -0 | 1.13 | -0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
○Loop 3513 - pairlist.cpp:2099-2101 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 3514 - pairlist.cpp:2092-2096 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0.01 | 0 | 0 | 0 | 0.01 | 0 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 1 | 4 | 1 | 1 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 3479 - stl_algobase.h:911-912 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 2 | 1 | 1 | 0 | 2 | 1 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 3516 - pairlist.cpp:2082-2086 - libgromacs.so.8 [...] | | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 2 | 0 | 2 | 1 | 1 | 5 | 1 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 3512 - pairlist.cpp:2099-2101 - libgromacs.so.8 | | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0.01 | 0.01 | 0 | 0 | 0.01 | 0 | 0 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 2 | 2 | 0 | 2 | 1 | 3 | 1 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 3481 - stl_algobase.h:911-912 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*)+ | libgromacs.so.8 | 2.16 | 3.4 | 4.53 | 4.45 | 5.13 | 7.44 | 6.73 | 7.6 | 5.65 | 4.77 | 3.36 | 1.95 | 1.31 | 1.1 | 0.89 | 1.61 | 5.65 | 4.77 | 3.35 | 1.78 | 1.18 | 1.03 | 0.71 | 1.03 | 1 | 2 | 4 | 8 | 16 | 32 | 64 | 128 | 0.00 | 0.01 | 0.10 | 0.26 | 0.40 | 0.43 | 1.18 | 3.02 | 0.00 | 0.01 | 0.08 | 0.10 | 0.09 | 0.06 | 0.11 | 0.39 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I... | 1 | 0 | 0.59 | 1.39 | 0.42 | 2.62 | 0.4 | 2.68 | 0.3 | 3.59 | 0.17 | 6.16 | 0.12 | 5.89 | 0.04 | 7.27 |
►Loop 16367 - fft5d.cpp:758-1369 - libgromacs.so.8 [...]+ | | 0 | 0 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0 | 0 | 0.01 | 0.01 | 0 | 0.01 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 3 | 9 | 5 | 12 | 23 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 16368 - fft5d.cpp:887-1132 - libgromacs.so.8 [...]+ | | 0 | 0 | 0 | 0 | 0.01 | 0 | 0.01 | 0 | 0.01 | 0 | 0 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 1 | 1 | 3 | 4 | 5 | 7 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.03 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 16369 - fft5d.cpp:908-1132 - libgromacs.so.8 [...]+ | | 0.01 | 0 | 0 | 0 | 0.01 | 0 | 0 | 0 | 0.02 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0.02 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 2 | 1 | 5 | 2 | 1 | 7 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 16370 - fft5d.cpp:912-918 - libgromacs.so.8+ | | 0.04 | 0.02 | 0.03 | 0.03 | 0.03 | 0.03 | 0.02 | 0.01 | 0.1 | 0.04 | 0.05 | 0.03 | 0.02 | 0.02 | 0.01 | 0.01 | 0.1 | 0.04 | 0.03 | 0.01 | 0.01 | 0 | 0 | 0 | 1 | 2 | 4 | 8 | 11 | 18 | 25 | 31 | 0.00 | 0.00 | 0.03 | 0.02 | 0.02 | 0.02 | 0.03 | 0.02 | 0.00 | 0.01 | 0.02 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | 1 | 0 | 1.25 | 0 | 0.83 | 0 | 1.25 | 0 | 0.63 | 0.01 | 1 | 0 | 1 | 0 | 1 | 0 |
○Loop 16371 - fft5d.cpp:916-918 - libgromacs.so.8 | | 0.64 | 0.56 | 0.79 | 0.84 | 0.77 | 0.41 | 0.6 | 0.54 | 1.69 | 0.82 | 0.67 | 0.4 | 0.23 | 0.09 | 0.12 | 0.25 | 1.69 | 0.79 | 0.58 | 0.34 | 0.18 | 0.06 | 0.06 | 0.07 | 1 | 2 | 4 | 8 | 16 | 32 | 64 | 128 | 0.00 | 0.03 | 0.10 | 0.10 | 0.15 | 0.10 | 0.19 | 0.28 | 0.00 | 0.04 | 0.07 | 0.04 | 0.03 | 0.01 | 0.02 | 0.04 | | | | | | | | | | 1 | 0 | 1.07 | 0 | 0.73 | 0.21 | 0.62 | 0.32 | 0.59 | 0.32 | 0.88 | 0.05 | 0.44 | 0.34 | 0.19 | 0.44 |
►Loop 16372 - fft5d.cpp:912-918 - libgromacs.so.8+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 16373 - fft5d.cpp:916-918 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 16381 - fft5d.cpp:758-789 - libgromacs.so.8 [...]+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 16382 - fft5d.cpp:779-789 - libgromacs.so.8+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 16383 - fft5d.cpp:783-789 - libgromacs.so.8+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 16384 - fft5d.cpp:787-789 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 16385 - fft5d.cpp:787-789 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 16374 - fft5d.cpp:823-1132 - libgromacs.so.8 [...]+ | | 0 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0 | 0.01 | 0.01 | 0.02 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 1 | 2 | 3 | 7 | 5 | 7 | 10 | 13 | 0.00 | 0.01 | 0.01 | 0.00 | 0.01 | 0.00 | 0.03 | 0.01 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 16375 - fft5d.cpp:845-1132 - libgromacs.so.8 [...]+ | | 0 | 0 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0 | 0 | 0.01 | 0.01 | 0.01 | 0.01 | 0 | 0.01 | 0 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 4 | 3 | 4 | 8 | 9 | 17 | 0.00 | 0.00 | 0.00 | 0.01 | 0.02 | 0.01 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 16376 - fft5d.cpp:849-855 - libgromacs.so.8+ | | 0.04 | 0.05 | 0.06 | 0.08 | 0.05 | 0.05 | 0.04 | 0.02 | 0.11 | 0.07 | 0.05 | 0.06 | 0.03 | 0.02 | 0.01 | 0.02 | 0.11 | 0.07 | 0.05 | 0.03 | 0.01 | 0.01 | 0 | 0 | 1 | 2 | 4 | 8 | 13 | 19 | 31 | 55 | 0.00 | 0.00 | 0.01 | 0.03 | 0.03 | 0.04 | 0.03 | 0.03 | 0.00 | 0.00 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 0.00 | | | | | | | | | | 1 | 0 | 0.79 | 0.01 | 0.55 | 0.03 | 0.46 | 0.04 | 0.69 | 0.02 | 0.34 | 0.03 | 1 | 0 | 1 | 0 |
○Loop 16378 - fft5d.cpp:853-855 - libgromacs.so.8 | | 1.41 | 2.74 | 3.6 | 3.43 | 4.22 | 6.89 | 6 | 6.99 | 3.69 | 3.87 | 2.73 | 1.55 | 1.07 | 1.01 | 0.79 | 1.51 | 3.69 | 3.85 | 2.66 | 1.37 | 0.97 | 0.95 | 0.63 | 0.95 | 1 | 2 | 4 | 8 | 16 | 32 | 64 | 128 | 0.00 | 0.04 | 0.20 | 0.24 | 0.31 | 0.41 | 1.06 | 2.89 | 0.00 | 0.05 | 0.15 | 0.09 | 0.07 | 0.05 | 0.10 | 0.37 | | | | | | | | | | 1 | 0 | 0.48 | 1.43 | 0.35 | 2.35 | 0.34 | 2.28 | 0.24 | 3.22 | 0.12 | 6.05 | 0.09 | 5.45 | 0.03 | 6.78 |
○Loop 16377 - fft5d.cpp:853-855 - libgromacs.so.8 | | 0.01 | 0.01 | 0.02 | 0.02 | 0.01 | 0.02 | 0.03 | 0.01 | 0.03 | 0.02 | 0.01 | 0.02 | 0.01 | 0.01 | 0.02 | 0.01 | 0.03 | 0.02 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 1 | 2 | 4 | 6 | 6 | 10 | 24 | 34 | 0.00 | 0.01 | 0.00 | 0.01 | 0.01 | 0.03 | 0.04 | 0.02 | 0.00 | 0.01 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | 1 | 0 | 0.75 | 0 | 0.75 | 0.01 | 0.38 | 0.01 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
►Loop 16379 - fft5d.cpp:849-855 - libgromacs.so.8+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 16380 - fft5d.cpp:853-855 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►gmx::lincs_matrix_expand(gmx::Lincs const&, (anonymous namespace)::Task const&, gmx::ArrayRef<float const>, gmx::ArrayRef<float>, gmx::ArrayRef<float>, gmx::ArrayRef<float>)+ | libgromacs.so.8 | 1.66 | 1.56 | 1.28 | 1.18 | 1.29 | 1.25 | 1.27 | 1.38 | 4.36 | 2.29 | 1.05 | 0.56 | 0.45 | 0.27 | 0.23 | 0.32 | 4.36 | 2.19 | 0.94 | 0.47 | 0.29 | 0.17 | 0.13 | 0.19 | 1 | 2 | 4 | 8 | 16 | 32 | 64 | 128 | 0.00 | 0.11 | 0.16 | 0.20 | 0.34 | 0.44 | 0.42 | 0.43 | 0.00 | 0.15 | 0.12 | 0.08 | 0.07 | 0.06 | 0.04 | 0.06 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I... | 1 | 0 | 1 | 0.01 | 1.16 | 0 | 1.16 | 0 | 0.94 | 0.08 | 0.8 | 0.25 | 0.52 | 0.6 | 0.18 | 1.13 |
○Loop 14190 - lincs.cpp:328-330 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 14191 - lincs.cpp:328-328 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 14196 - lincs.cpp:278-295 - libgromacs.so.8 [...]+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 0 | 0 | 2 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 14197 - lincs.cpp:278-295 - libgromacs.so.8 [...]+ | | 0.77 | 0.7 | 0.61 | 0.54 | 0.62 | 0.63 | 0.71 | 0.64 | 2.01 | 1.02 | 0.51 | 0.24 | 0.26 | 0.17 | 0.15 | 0.19 | 2.01 | 0.98 | 0.45 | 0.22 | 0.14 | 0.09 | 0.08 | 0.09 | 1 | 2 | 4 | 8 | 16 | 32 | 64 | 128 | 0.00 | 0.04 | 0.07 | 0.06 | 0.24 | 0.29 | 0.31 | 0.25 | 0.00 | 0.05 | 0.05 | 0.02 | 0.05 | 0.04 | 0.03 | 0.03 | | | | | | | | | | 1 | 0 | 1.03 | 0 | 1.12 | 0 | 1.14 | 0 | 0.9 | 0.06 | 0.7 | 0.19 | 0.39 | 0.43 | 0.17 | 0.53 |
○Loop 14198 - lincs.cpp:290-292 - libgromacs.so.8 | | 0.54 | 0.49 | 0.43 | 0.39 | 0.43 | 0.39 | 0.36 | 0.46 | 1.42 | 0.71 | 0.34 | 0.23 | 0.13 | 0.09 | 0.06 | 0.16 | 1.42 | 0.69 | 0.32 | 0.16 | 0.1 | 0.05 | 0.04 | 0.06 | 1 | 2 | 4 | 8 | 16 | 32 | 64 | 128 | 0.00 | 0.02 | 0.04 | 0.10 | 0.10 | 0.12 | 0.14 | 0.22 | 0.00 | 0.03 | 0.03 | 0.04 | 0.02 | 0.02 | 0.01 | 0.03 | | | | | | | | | | 1 | 0 | 1.03 | 0 | 1.11 | 0 | 1.11 | 0 | 0.89 | 0.05 | 0.89 | 0.04 | 0.55 | 0.16 | 0.18 | 0.37 |
○Loop 14199 - lincs.cpp:290-292 - libgromacs.so.8 [...] | | 0.35 | 0.36 | 0.24 | 0.25 | 0.24 | 0.23 | 0.19 | 0.28 | 0.93 | 0.55 | 0.23 | 0.14 | 0.08 | 0.08 | 0.06 | 0.1 | 0.93 | 0.51 | 0.17 | 0.1 | 0.06 | 0.03 | 0.02 | 0.04 | 1 | 2 | 4 | 8 | 16 | 32 | 56 | 109 | 0.00 | 0.04 | 0.10 | 0.11 | 0.13 | 0.16 | 0.13 | 0.20 | 0.00 | 0.06 | 0.07 | 0.04 | 0.03 | 0.02 | 0.01 | 0.03 | | | | | | | | | | 1 | 0 | 0.91 | 0.03 | 1.37 | 0 | 1.16 | 0 | 0.97 | 0.01 | 0.97 | 0.01 | 0.73 | 0.05 | 0.18 | 0.23 |
►Loop 14192 - lincs.cpp:278-348 - libgromacs.so.8 [...]+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 14193 - lincs.cpp:278-348 - libgromacs.so.8 [...]+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 14194 - lincs.cpp:340-344 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 14195 - lincs.cpp:340-344 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►nbnxn_kernel_prune_4xn(NbnxnPairlistCpu*, nbnxn_atomdata_t const*, gmx::ArrayRef<gmx::BasicVector<float> const>, float)+ | libgromacs.so.8 | 1.04 | 0.97 | 0.96 | 0.83 | 1.08 | 0.7 | 0.45 | 0.27 | 2.72 | 1.39 | 0.73 | 0.36 | 0.32 | 0.12 | 0.08 | 0.07 | 2.72 | 1.36 | 0.71 | 0.33 | 0.25 | 0.1 | 0.05 | 0.04 | 1 | 2 | 4 | 8 | 16 | 32 | 64 | 128 | 0.00 | 0.04 | 0.03 | 0.05 | 0.27 | 0.08 | 0.12 | 0.10 | 0.00 | 0.05 | 0.02 | 0.02 | 0.06 | 0.01 | 0.01 | 0.01 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I... | 1 | 0 | 1 | 0 | 0.96 | 0.04 | 1.03 | 0 | 0.68 | 0.35 | 0.85 | 0.11 | 0.85 | 0.07 | 0.53 | 0.13 |
►Loop 1132 - kernel_prune.cpp:76-176 - libgromacs.so.8 [...]+ | | 0.03 | 0.03 | 0.02 | 0.03 | 0.03 | 0.02 | 0.01 | 0 | 0.08 | 0.06 | 0.02 | 0.02 | 0.01 | 0.01 | 0.01 | 0 | 0.07 | 0.05 | 0.01 | 0.01 | 0.01 | 0 | 0 | 0 | 1 | 2 | 3 | 8 | 14 | 12 | 10 | 14 | 0.00 | 0.02 | 0.01 | 0.02 | 0.01 | 0.02 | 0.02 | 0.00 | 0.00 | 0.02 | 0.01 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | 1 | 0 | 0.7 | 0.01 | 1.75 | 0 | 0.88 | 0 | 0.44 | 0.02 | 1 | 0 | 1 | 0 | 1 | 0 |
○Loop 1133 - kernel_prune.cpp:115-167 - libgromacs.so.8 [...] | | 1.01 | 0.94 | 0.95 | 0.8 | 1.04 | 0.69 | 0.44 | 0.27 | 2.65 | 1.36 | 0.71 | 0.36 | 0.31 | 0.12 | 0.07 | 0.07 | 2.64 | 1.32 | 0.7 | 0.32 | 0.24 | 0.09 | 0.05 | 0.04 | 1 | 2 | 4 | 8 | 16 | 32 | 64 | 128 | 0.00 | 0.06 | 0.03 | 0.05 | 0.26 | 0.08 | 0.11 | 0.10 | 0.00 | 0.07 | 0.02 | 0.02 | 0.06 | 0.01 | 0.01 | 0.01 | | | | | | | | | | 1 | 0 | 1 | 0 | 0.94 | 0.05 | 1.03 | 0 | 0.69 | 0.32 | 0.92 | 0.06 | 0.82 | 0.08 | 0.52 | 0.13 |
►void gmx::settleTemplateWrapper<gmx::SimdFloat, gmx::SimdFBool, 8, float const*>(gmx::SettleData const&, int, int, float const*, float const*, float*, float, float*, bool, float (*) [3], bool*)+ | libgromacs.so.8 | 0.93 | 0.74 | 0.79 | 0.8 | 0.88 | 0.83 | 0.79 | 0.92 | 2.43 | 1.1 | 0.76 | 0.36 | 0.3 | 0.16 | 0.13 | 0.23 | 2.43 | 1.03 | 0.58 | 0.32 | 0.2 | 0.12 | 0.08 | 0.12 | 1 | 2 | 4 | 8 | 16 | 32 | 64 | 128 | 0.00 | 0.07 | 0.17 | 0.11 | 0.19 | 0.22 | 0.24 | 0.32 | 0.00 | 0.10 | 0.12 | 0.04 | 0.04 | 0.03 | 0.02 | 0.04 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I... | 1 | 0 | 1.18 | 0 | 1.05 | 0 | 0.95 | 0.04 | 0.76 | 0.21 | 0.63 | 0.3 | 0.47 | 0.42 | 0.16 | 0.77 |
○Loop 14469 - settle.cpp:425-425 - libgromacs.so.8 [...] | | 0.83 | 0.66 | 0.71 | 0.72 | 0.8 | 0.75 | 0.7 | 0.81 | 2.17 | 0.95 | 0.68 | 0.34 | 0.26 | 0.15 | 0.12 | 0.2 | 2.17 | 0.92 | 0.52 | 0.29 | 0.18 | 0.1 | 0.07 | 0.11 | 1 | 2 | 4 | 8 | 16 | 32 | 64 | 128 | 0.00 | 0.03 | 0.16 | 0.09 | 0.14 | 0.22 | 0.22 | 0.30 | 0.00 | 0.05 | 0.11 | 0.04 | 0.03 | 0.03 | 0.02 | 0.04 | | | | | | | | | | 1 | 0 | 1.18 | 0 | 1.04 | 0 | 0.94 | 0.05 | 0.75 | 0.2 | 0.68 | 0.24 | 0.48 | 0.36 | 0.15 | 0.69 |
○Loop 14470 - settle.cpp:425-425 - libgromacs.so.8 [...] | | 0.1 | 0.08 | 0.08 | 0.08 | 0.08 | 0.08 | 0.08 | 0.1 | 0.26 | 0.14 | 0.08 | 0.06 | 0.05 | 0.03 | 0.02 | 0.03 | 0.26 | 0.11 | 0.06 | 0.03 | 0.02 | 0.01 | 0.01 | 0.01 | 1 | 2 | 4 | 8 | 16 | 28 | 53 | 113 | 0.00 | 0.04 | 0.03 | 0.03 | 0.06 | 0.05 | 0.05 | 0.06 | 0.00 | 0.05 | 0.03 | 0.01 | 0.01 | 0.01 | 0.00 | 0.01 | | | | | | | | | | 1 | 0 | 1.18 | 0 | 1.08 | 0 | 1.08 | 0 | 0.81 | 0.01 | 0.81 | 0.01 | 0.41 | 0.05 | 0.2 | 0.08 |
○Loop 14467 - settle.cpp:425-425 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 2 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 14468 - settle.cpp:425-425 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►gmx::do_lincs(gmx::ArrayRefWithPadding<gmx::BasicVector<float> const>, gmx::ArrayRefWithPadding<gmx::BasicVector<float> >, float const (*) [3], t_pbc*, gmx::Lincs*, int, gmx::ArrayRef<float const>, t_commrec const*, bool, floa...+ | libgromacs.so.8 | 0.8 | 0.74 | 0.82 | 0.76 | 0.8 | 0.69 | 0.55 | 0.35 | 2.1 | 1.05 | 0.63 | 0.36 | 0.28 | 0.15 | 0.1 | 0.09 | 2.1 | 1.04 | 0.61 | 0.31 | 0.18 | 0.1 | 0.06 | 0.05 | 1 | 2 | 4 | 8 | 16 | 32 | 64 | 128 | 0.00 | 0.01 | 0.03 | 0.11 | 0.18 | 0.18 | 0.17 | 0.12 | 0.00 | 0.02 | 0.02 | 0.04 | 0.04 | 0.02 | 0.02 | 0.02 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I... | 1 | 0 | 1.01 | 0 | 0.86 | 0.11 | 0.85 | 0.12 | 0.73 | 0.22 | 0.66 | 0.24 | 0.55 | 0.25 | 0.33 | 0.24 |
○Loop 14189 - lincs.cpp:845-857 - libgromacs.so.8 [...] | | 0.42 | 0.36 | 0.43 | 0.4 | 0.39 | 0.29 | 0.26 | 0.15 | 1.1 | 0.5 | 0.37 | 0.21 | 0.14 | 0.06 | 0.04 | 0.06 | 1.1 | 0.5 | 0.32 | 0.16 | 0.09 | 0.04 | 0.03 | 0.02 | 1 | 2 | 4 | 8 | 16 | 32 | 64 | 124 | 0.00 | 0.00 | 0.05 | 0.11 | 0.10 | 0.11 | 0.09 | 0.08 | 0.00 | 0.00 | 0.04 | 0.04 | 0.02 | 0.01 | 0.01 | 0.01 | | | | | | | | | | 1 | 0 | 1.1 | 0 | 0.86 | 0.06 | 0.86 | 0.06 | 0.76 | 0.09 | 0.86 | 0.04 | 0.57 | 0.11 | 0.43 | 0.09 |
►Loop 14187 - lincs.cpp:1133-1137 - libgromacs.so.8 [...]+ | | 0.02 | 0.02 | 0.04 | 0.02 | 0.01 | 0.01 | 0.01 | 0 | 0.04 | 0.03 | 0.04 | 0.02 | 0 | 0.01 | 0 | 0 | 0.04 | 0.03 | 0.03 | 0.01 | 0 | 0 | 0 | 0 | 1 | 2 | 4 | 7 | 6 | 11 | 18 | 14 | 0.00 | 0.00 | 0.02 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | 1 | 0 | 0.67 | 0.01 | 0.33 | 0.03 | 0.5 | 0.01 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
○Loop 14188 - lincs.cpp:1135-1137 - libgromacs.so.8 [...] | | 0.24 | 0.23 | 0.21 | 0.21 | 0.24 | 0.22 | 0.17 | 0.11 | 0.64 | 0.33 | 0.19 | 0.11 | 0.09 | 0.05 | 0.05 | 0.04 | 0.63 | 0.33 | 0.16 | 0.08 | 0.06 | 0.03 | 0.02 | 0.01 | 1 | 2 | 4 | 8 | 16 | 32 | 61 | 115 | 0.00 | 0.01 | 0.04 | 0.05 | 0.09 | 0.08 | 0.10 | 0.06 | 0.00 | 0.01 | 0.03 | 0.02 | 0.02 | 0.01 | 0.01 | 0.01 | | | | | | | | | | 1 | 0 | 0.95 | 0.01 | 0.98 | 0 | 0.98 | 0 | 0.66 | 0.08 | 0.66 | 0.08 | 0.49 | 0.09 | 0.49 | 0.06 |
○Loop 14186 - lincs.cpp:1146-1146 - libgromacs.so.8 [...] | | 0.01 | 0.02 | 0.01 | 0.01 | 0.01 | 0 | 0 | 0 | 0.04 | 0.03 | 0.01 | 0.01 | 0.01 | 0.01 | 0 | 0 | 0.04 | 0.02 | 0 | 0.01 | 0 | 0 | 0 | 0 | 1 | 2 | 2 | 5 | 9 | 2 | 6 | 14 | 0.00 | 0.01 | 0.00 | 0.01 | 0.01 | 0.03 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | 1 | 0 | 1 | 0 | 1 | 0 | 0.5 | 0.01 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
○Loop 14176 - lincs.cpp:1265-1273 - libgromacs.so.8 | | 0.01 | 0.01 | 0.02 | 0.01 | 0.01 | 0.02 | 0.01 | 0 | 0.04 | 0.01 | 0.03 | 0.01 | 0.01 | 0.02 | 0.01 | 0.01 | 0.04 | 0.01 | 0.02 | 0.01 | 0 | 0 | 0 | 0 | 1 | 2 | 4 | 6 | 6 | 11 | 8 | 11 | 0.00 | 0.00 | 0.01 | 0.01 | 0.02 | 0.03 | 0.03 | 0.01 | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | 1 | 0 | 2 | 0 | 0.5 | 0.01 | 0.5 | 0.01 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
○Loop 14177 - lincs.cpp:1252-1257 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 14179 - lincs.cpp:1243-1245 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 14180 - lincs.cpp:1243-1245 - libgromacs.so.8 | | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 2 | 1 | 3 | 1 | 2 | 4 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 14181 - lincs.cpp:845-1223 - libgromacs.so.8 [...]+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 2 | 2 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 14184 - lincs.cpp:966-978 - libgromacs.so.8 [...] | | 0.08 | 0.09 | 0.08 | 0.08 | 0.11 | 0.13 | 0.09 | 0.06 | 0.21 | 0.15 | 0.08 | 0.06 | 0.06 | 0.05 | 0.03 | 0.03 | 0.21 | 0.13 | 0.06 | 0.03 | 0.02 | 0.02 | 0.01 | 0.01 | 1 | 2 | 4 | 8 | 16 | 31 | 51 | 99 | 0.00 | 0.02 | 0.03 | 0.03 | 0.07 | 0.09 | 0.07 | 0.04 | 0.00 | 0.02 | 0.02 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | | | | | | | | | | 1 | 0 | 0.81 | 0.02 | 0.88 | 0.01 | 0.88 | 0.01 | 0.66 | 0.04 | 0.33 | 0.09 | 0.33 | 0.06 | 0.16 | 0.05 |
○Loop 14183 - lincs.cpp:1205-1205 - libgromacs.so.8 [...] | | 0.02 | 0.01 | 0.02 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.05 | 0.02 | 0.03 | 0.02 | 0.01 | 0.01 | 0 | 0.01 | 0.04 | 0.01 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 1 | 2 | 3 | 6 | 6 | 8 | 10 | 28 | 0.00 | 0.01 | 0.02 | 0.01 | 0.02 | 0.00 | 0.00 | 0.02 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | 1 | 0 | 2 | 0 | 1 | 0 | 0.5 | 0.01 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
○Loop 14182 - lincs.cpp:1205-1205 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 3 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 14185 - lincs.cpp:1146-1146 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 14178 - lincs.cpp:1252-1257 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○mkl_dft_avx2_ownscDftInv_Prime8_32fc | libmkl_avx2.so | 0.74 | 0.66 | 0.75 | 0.63 | 0.68 | 0.97 | 1.31 | 0.98 | 1.95 | 0.99 | 0.69 | 0.32 | 0.22 | 0.17 | 0.17 | 0.26 | 1.95 | 0.93 | 0.56 | 0.25 | 0.16 | 0.13 | 0.14 | 0.13 | 1 | 2 | 4 | 8 | 16 | 32 | 64 | 128 | 0.00 | 0.06 | 0.14 | 0.12 | 0.19 | 0.17 | 0.24 | 0.31 | 0.00 | 0.08 | 0.10 | 0.05 | 0.04 | 0.02 | 0.02 | 0.04 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | | 1 | 0 | 1.05 | 0 | 0.87 | 0.1 | 0.97 | 0.02 | 0.76 | 0.16 | 0.47 | 0.52 | 0.22 | 1.02 | 0.12 | 0.87 |
►solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int)+ | libgromacs.so.8 | 0.73 | 0.73 | 0.71 | 0.64 | 0.51 | 0.46 | 0.31 | 0.12 | 1.9 | 1.13 | 0.7 | 0.28 | 0.16 | 0.09 | 0.06 | 0.04 | 1.9 | 1.02 | 0.52 | 0.26 | 0.12 | 0.06 | 0.03 | 0.02 | 1 | 2 | 4 | 8 | 16 | 32 | 64 | 120 | 0.00 | 0.12 | 0.17 | 0.06 | 0.08 | 0.12 | 0.12 | 0.07 | 0.00 | 0.17 | 0.12 | 0.02 | 0.02 | 0.02 | 0.01 | 0.01 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I... | 1 | 0 | 0.93 | 0.05 | 0.91 | 0.06 | 0.91 | 0.06 | 0.99 | 0.01 | 0.99 | 0 | 0.99 | 0 | 0.74 | 0.03 |
►Loop 16173 - pme_solve.cpp:233-560 - libgromacs.so.8 [...]+ | | 0.06 | 0.08 | 0.07 | 0.06 | 0.06 | 0.06 | 0.04 | 0.01 | 0.15 | 0.15 | 0.07 | 0.06 | 0.03 | 0.02 | 0.01 | 0.01 | 0.15 | 0.12 | 0.05 | 0.02 | 0.01 | 0.01 | 0 | 0 | 1 | 2 | 4 | 8 | 16 | 25 | 33 | 38 | 0.00 | 0.03 | 0.02 | 0.04 | 0.03 | 0.05 | 0.03 | 0.02 | 0.00 | 0.05 | 0.02 | 0.02 | 0.01 | 0.01 | 0.00 | 0.00 | | | | | | | | | | 1 | 0 | 0.63 | 0.03 | 0.75 | 0.02 | 0.94 | 0 | 0.94 | 0 | 0.47 | 0.03 | 1 | 0 | 1 | 0 |
○Loop 16177 - pme_solve.cpp:233-233 - libgromacs.so.8 [...] | | 0.22 | 0.19 | 0.15 | 0.17 | 0.16 | 0.13 | 0.09 | 0.03 | 0.58 | 0.3 | 0.12 | 0.08 | 0.06 | 0.04 | 0.02 | 0.02 | 0.58 | 0.27 | 0.11 | 0.07 | 0.04 | 0.02 | 0.01 | 0 | 1 | 2 | 4 | 8 | 16 | 30 | 49 | 69 | 0.00 | 0.03 | 0.02 | 0.02 | 0.06 | 0.07 | 0.05 | 0.03 | 0.00 | 0.05 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | | | | | | | | | | 1 | 0 | 1.07 | 0 | 1.32 | 0 | 1.04 | 0 | 0.91 | 0.02 | 0.91 | 0.01 | 0.91 | 0.01 | 1 | 0 |
○Loop 16174 - pme_solve.cpp:554-559 - libgromacs.so.8 | | 0.1 | 0.16 | 0.18 | 0.13 | 0.09 | 0.06 | 0.05 | 0.02 | 0.26 | 0.24 | 0.32 | 0.1 | 0.04 | 0.02 | 0.02 | 0.01 | 0.26 | 0.22 | 0.13 | 0.05 | 0.02 | 0.01 | 0.01 | 0 | 1 | 2 | 4 | 8 | 16 | 28 | 37 | 42 | 0.00 | 0.02 | 0.17 | 0.06 | 0.04 | 0.03 | 0.05 | 0.02 | 0.00 | 0.02 | 0.13 | 0.03 | 0.01 | 0.00 | 0.01 | 0.00 | | | | | | | | | | 1 | 0 | 0.59 | 0.07 | 0.5 | 0.09 | 0.65 | 0.05 | 0.81 | 0.02 | 0.81 | 0.01 | 0.41 | 0.03 | 1 | 0 |
○Loop 16179 - pme_solve.cpp:533-542 - libgromacs.so.8 | | 0.08 | 0.06 | 0.07 | 0.05 | 0.04 | 0.03 | 0.02 | 0.01 | 0.2 | 0.11 | 0.06 | 0.03 | 0.02 | 0.03 | 0.01 | 0.01 | 0.2 | 0.08 | 0.05 | 0.02 | 0.01 | 0 | 0 | 0 | 1 | 2 | 4 | 8 | 12 | 16 | 24 | 29 | 0.00 | 0.03 | 0.02 | 0.02 | 0.03 | 0.05 | 0.02 | 0.01 | 0.00 | 0.05 | 0.02 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | | | | | | | | | | 1 | 0 | 1.25 | 0 | 1 | 0 | 1.25 | 0 | 1.25 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
○Loop 16181 - pme_solve.cpp:521-530 - libgromacs.so.8 | | 0.08 | 0.07 | 0.06 | 0.07 | 0.06 | 0.05 | 0.03 | 0.01 | 0.21 | 0.12 | 0.05 | 0.05 | 0.02 | 0.03 | 0.02 | 0.01 | 0.21 | 0.1 | 0.05 | 0.03 | 0.01 | 0.01 | 0 | 0 | 1 | 2 | 4 | 8 | 14 | 22 | 34 | 32 | 0.00 | 0.02 | 0.01 | 0.03 | 0.03 | 0.05 | 0.03 | 0.01 | 0.00 | 0.03 | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | | | | | | | | | | 1 | 0 | 1.05 | -0 | 1.05 | -0 | 0.88 | 0.01 | 1.31 | 0 | 0.66 | 0.02 | 1 | 0 | 1 | 0 |
○Loop 16192 - pme_solve.cpp:456-469 - libgromacs.so.8 | | 0.07 | 0.04 | 0.04 | 0.05 | 0.03 | 0.03 | 0.02 | 0.01 | 0.17 | 0.06 | 0.04 | 0.04 | 0.02 | 0.01 | 0.02 | 0.01 | 0.17 | 0.06 | 0.03 | 0.02 | 0.01 | 0 | 0 | 0 | 1 | 2 | 4 | 8 | 12 | 19 | 21 | 28 | 0.00 | 0.00 | 0.02 | 0.03 | 0.03 | 0.02 | 0.04 | 0.01 | 0.00 | 0.00 | 0.02 | 0.01 | 0.01 | 0.00 | 0.00 | 0.00 | | | | | | | | | | 1 | 0 | 1.42 | 0 | 1.42 | 0 | 1.06 | -0 | 1.06 | -0 | 1 | 0 | 1 | 0 | 1 | 0 |
○Loop 16183 - pme_solve.cpp:498-510 - libgromacs.so.8 | | 0.04 | 0.03 | 0.03 | 0.03 | 0.01 | 0.02 | 0.01 | 0.01 | 0.1 | 0.04 | 0.03 | 0.02 | 0.01 | 0.01 | 0 | 0.01 | 0.1 | 0.04 | 0.02 | 0.01 | 0 | 0 | 0 | 0 | 1 | 2 | 4 | 7 | 7 | 14 | 10 | 15 | 0.00 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.01 | 0.00 | 0.01 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | 1 | 0 | 1.25 | 0 | 1.25 | 0 | 1.25 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
○Loop 16193 - pme_solve.cpp:440-453 - libgromacs.so.8 | | 0.04 | 0.05 | 0.06 | 0.04 | 0.04 | 0.03 | 0.03 | 0.01 | 0.11 | 0.07 | 0.07 | 0.04 | 0.02 | 0.02 | 0.02 | 0.01 | 0.11 | 0.07 | 0.05 | 0.02 | 0.01 | 0 | 0 | 0 | 1 | 2 | 4 | 8 | 14 | 18 | 28 | 29 | 0.00 | 0.01 | 0.02 | 0.03 | 0.03 | 0.03 | 0.03 | 0.01 | 0.00 | 0.01 | 0.02 | 0.01 | 0.01 | 0.00 | 0.00 | 0.00 | | | | | | | | | | 1 | 0 | 0.79 | 0.01 | 0.55 | 0.03 | 0.69 | 0.01 | 0.69 | 0.01 | 1 | 0 | 1 | 0 | 1 | 0 |
○Loop 16185 - pme_solve.cpp:485-495 - libgromacs.so.8 | | 0.02 | 0.03 | 0.03 | 0.02 | 0.01 | 0.01 | 0.01 | 0 | 0.06 | 0.06 | 0.03 | 0.02 | 0.01 | 0.01 | 0.01 | 0.01 | 0.06 | 0.05 | 0.02 | 0.01 | 0 | 0 | 0 | 0 | 1 | 2 | 4 | 5 | 5 | 9 | 7 | 14 | 0.00 | 0.02 | 0.01 | 0.02 | 0.02 | 0.02 | 0.02 | 0.01 | 0.00 | 0.02 | 0.01 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | 1 | 0 | 0.6 | 0.01 | 0.75 | 0.01 | 0.75 | 0.01 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
○Loop 16187 - pme_solve.cpp:233-233 - libgromacs.so.8 [...] | | 0.02 | 0.01 | 0.01 | 0.02 | 0.01 | 0.01 | 0.01 | 0 | 0.04 | 0.02 | 0.02 | 0.02 | 0.01 | 0.01 | 0.01 | 0 | 0.04 | 0.02 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 1 | 2 | 3 | 6 | 4 | 5 | 12 | 6 | 0.00 | 0.01 | 0.00 | 0.02 | 0.01 | 0.02 | 0.01 | 0.00 | 0.00 | 0.01 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | 1 | 0 | 1 | 0 | 1 | 0 | 0.5 | 0.01 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
○Loop 16190 - pme_solve.cpp:472-474 - libgromacs.so.8 | | 0.01 | 0 | 0 | 0 | 0 | 0.01 | 0 | 0 | 0.02 | 0 | 0.01 | 0 | 0 | 0.01 | 0 | 0 | 0.02 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 1 | 1 | 2 | 5 | 2 | 4 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.02 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 16176 - pme_solve.cpp:233-233 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 16184 - pme_solve.cpp:485-495 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 16178 - pme_solve.cpp:533-542 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 16189 - pme_solve.cpp:472-474 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 16175 - pme_solve.cpp:554-560 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 16191 - pme_solve.cpp:472-474 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 16186 - pme_solve.cpp:233-233 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 16188 - pme_solve.cpp:472-474 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 16180 - pme_solve.cpp:521-530 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 16182 - pme_solve.cpp:485-495 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○mkl_dft_avx2_ownscDftFwd_Prime8_32fc | libmkl_avx2.so | 0.72 | 0.67 | 0.63 | 0.66 | 0.5 | 0.45 | 0.31 | 0.13 | 1.89 | 0.95 | 0.52 | 0.3 | 0.16 | 0.1 | 0.06 | 0.06 | 1.89 | 0.94 | 0.47 | 0.26 | 0.12 | 0.06 | 0.03 | 0.02 | 1 | 2 | 4 | 8 | 16 | 32 | 64 | 123 | 0.00 | 0.01 | 0.06 | 0.08 | 0.11 | 0.12 | 0.14 | 0.09 | 0.00 | 0.02 | 0.04 | 0.03 | 0.02 | 0.02 | 0.01 | 0.01 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | | 1 | 0 | 1.01 | -0 | 1.01 | -0 | 0.91 | 0.06 | 0.98 | 0.01 | 0.98 | 0.01 | 0.98 | 0 | 0.74 | 0.03 |
►std::enable_if<((BondedKernelFlavor)0)==((BondedKernelFlavor)0), float>::type (anonymous namespace)::angles<(BondedKernelFlavor)0>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, float, float*...+ | libgromacs.so.8 | 0.67 | 0.62 | 0.59 | 0.57 | 0.6 | 0.55 | 0.49 | 0.43 | 1.76 | 0.87 | 0.54 | 0.3 | 0.24 | 0.13 | 0.1 | 0.11 | 1.76 | 0.86 | 0.43 | 0.23 | 0.14 | 0.08 | 0.05 | 0.06 | 1 | 2 | 4 | 8 | 16 | 32 | 64 | 128 | 0.00 | 0.01 | 0.11 | 0.11 | 0.18 | 0.18 | 0.19 | 0.19 | 0.00 | 0.02 | 0.08 | 0.05 | 0.04 | 0.02 | 0.02 | 0.02 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I... | 1 | 0 | 1.02 | 0 | 1.02 | 0 | 0.96 | 0.02 | 0.79 | 0.13 | 0.69 | 0.17 | 0.55 | 0.22 | 0.23 | 0.33 |
○Loop 15641 - bonded.cpp:1151-1170 - libgromacs.so.8 [...] | | 0.67 | 0.62 | 0.59 | 0.57 | 0.6 | 0.54 | 0.49 | 0.43 | 1.76 | 0.87 | 0.54 | 0.3 | 0.24 | 0.13 | 0.1 | 0.11 | 1.76 | 0.86 | 0.43 | 0.23 | 0.14 | 0.07 | 0.05 | 0.06 | 1 | 2 | 4 | 8 | 16 | 32 | 64 | 128 | 0.00 | 0.01 | 0.12 | 0.11 | 0.18 | 0.19 | 0.19 | 0.19 | 0.00 | 0.02 | 0.08 | 0.05 | 0.04 | 0.02 | 0.02 | 0.02 | | | | | | | | | | 1 | 0 | 1.02 | 0 | 1.02 | 0 | 0.96 | 0.02 | 0.79 | 0.13 | 0.79 | 0.12 | 0.55 | 0.22 | 0.23 | 0.33 |
►spread_on_grid(gmx_pme_t const*, PmeAtomComm*, pmegrids_t const*, bool, bool, float*, bool, int) [clone .extracted.18]+ | libgromacs.so.8 | 0.6 | 0.9 | 0.96 | 0.87 | 1.23 | 1.54 | 1.51 | 0.99 | 1.57 | 1.28 | 0.75 | 0.37 | 0.39 | 0.25 | 0.21 | 0.23 | 1.57 | 1.27 | 0.71 | 0.35 | 0.28 | 0.21 | 0.16 | 0.13 | 1 | 2 | 4 | 8 | 16 | 32 | 64 | 128 | 0.00 | 0.02 | 0.06 | 0.05 | 0.25 | 0.25 | 0.29 | 0.37 | 0.00 | 0.03 | 0.04 | 0.02 | 0.06 | 0.03 | 0.03 | 0.05 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I... | 1 | 0 | 0.62 | 0.34 | 0.55 | 0.43 | 0.56 | 0.38 | 0.35 | 0.8 | 0.23 | 1.18 | 0.15 | 1.28 | 0.09 | 0.9 |
►Loop 16310 - stl_uninitialized.h:318-687 - libgromacs.so.8 [...]+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0.01 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 1 | 1 | 0 | 9 | 36 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 16319 - pme_spread.cpp:104-133 - libgromacs.so.8 [...] | | 0.6 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1.57 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1.57 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
○Loop 16313 - pme_spread.cpp:165-167 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 16320 - pme_spread.cpp:104-145 - libgromacs.so.8 [...] | | 0 | 0.78 | 0.8 | 0.71 | 1.04 | 1.21 | 1.18 | 0.8 | 0 | 1.12 | 0.63 | 0.3 | 0.33 | 0.21 | 0.17 | 0.19 | 0 | 1.09 | 0.59 | 0.28 | 0.24 | 0.17 | 0.12 | 0.11 | 0 | 2 | 4 | 8 | 16 | 32 | 64 | 128 | 0.00 | 0.03 | 0.07 | 0.06 | 0.22 | 0.22 | 0.27 | 0.33 | 0.00 | 0.05 | 0.05 | 0.02 | 0.05 | 0.03 | 0.03 | 0.04 | | | | | | | | | | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
○Loop 16318 - pme_spread.cpp:154-156 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 4 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 16322 - pme_spread.cpp:96-98 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 16317 - stl_uninitialized.h:318-318 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 16321 - pme_spread.cpp:96-98 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 16315 - stl_iterator.h:1603-1603 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 16312 - pme_spread.cpp:172-174 - libgromacs.so.8 | | 0 | 0.12 | 0.16 | 0.15 | 0.19 | 0.33 | 0.32 | 0.18 | 0 | 0.17 | 0.14 | 0.08 | 0.07 | 0.08 | 0.06 | 0.06 | 0 | 0.17 | 0.12 | 0.06 | 0.04 | 0.05 | 0.03 | 0.02 | 0 | 2 | 4 | 8 | 16 | 32 | 64 | 127 | 0.00 | 0.01 | 0.03 | 0.03 | 0.07 | 0.13 | 0.12 | 0.09 | 0.00 | 0.01 | 0.02 | 0.01 | 0.02 | 0.02 | 0.01 | 0.01 | | | | | | | | | | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
○Loop 16314 - pme_spread.cpp:165-167 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 16311 - pme_spread.cpp:172-174 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 16323 - pme_spread.cpp:96-98 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 16316 - stl_uninitialized.h:318-318 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►void do_pairs_simple<gmx::SimdFloat, 8, float const*>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float const*, gmx::ArrayRef<float const>, float)+ | libgromacs.so.8 | 0.58 | 0.57 | 0.5 | 0.49 | 0.43 | 0.32 | 0.21 | 0.08 | 1.53 | 0.86 | 0.42 | 0.27 | 0.13 | 0.07 | 0.06 | 0.03 | 1.53 | 0.79 | 0.37 | 0.2 | 0.1 | 0.04 | 0.02 | 0.01 | 1 | 2 | 4 | 8 | 16 | 32 | 63 | 111 | 0.00 | 0.07 | 0.08 | 0.11 | 0.12 | 0.12 | 0.12 | 0.05 | 0.00 | 0.10 | 0.06 | 0.04 | 0.03 | 0.02 | 0.01 | 0.01 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I... | 1 | 0 | 0.97 | 0.02 | 1.03 | 0 | 0.96 | 0.02 | 0.96 | 0.02 | 1.2 | 0 | 1.2 | 0 | 1.2 | 0 |
○Loop 15873 - pairs.cpp:863-884 - libgromacs.so.8 [...] | | 0.58 | 0.57 | 0.5 | 0.49 | 0.43 | 0.32 | 0.21 | 0.08 | 1.53 | 0.86 | 0.42 | 0.27 | 0.13 | 0.07 | 0.06 | 0.03 | 1.53 | 0.79 | 0.37 | 0.2 | 0.1 | 0.04 | 0.02 | 0.01 | 1 | 2 | 4 | 8 | 16 | 32 | 63 | 111 | 0.00 | 0.07 | 0.08 | 0.11 | 0.12 | 0.12 | 0.12 | 0.05 | 0.00 | 0.10 | 0.06 | 0.04 | 0.03 | 0.02 | 0.01 | 0.01 | | | | | | | | | | 1 | 0 | 0.97 | 0.02 | 1.03 | 0 | 0.96 | 0.02 | 0.96 | 0.02 | 1.2 | 0 | 1.2 | 0 | 1.2 | 0 |
○(anonymous namespace)::dih_angle_simd(float const (*) [3], int const*, int const*, int const*, int const*, float const*, gmx::SimdFloat*, gmx::SimdFloat*, gmx::SimdFloat*, gmx::SimdFloat*, gmx::SimdFloat*, gmx::SimdFloat*, gmx::SimdFloat*, gmx::SimdFloat*,... | libgromacs.so.8 | 0.53 | 0.51 | 0.46 | 0.44 | 0.38 | 0.31 | 0.24 | 0.1 | 1.4 | 0.72 | 0.37 | 0.22 | 0.11 | 0.07 | 0.05 | 0.03 | 1.4 | 0.72 | 0.34 | 0.18 | 0.09 | 0.04 | 0.03 | 0.01 | 1 | 2 | 4 | 8 | 16 | 32 | 64 | 118 | 0.00 | 0.01 | 0.03 | 0.06 | 0.08 | 0.12 | 0.12 | 0.06 | 0.00 | 0.01 | 0.02 | 0.02 | 0.02 | 0.02 | 0.01 | 0.01 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I... | 1 | 0 | 0.97 | 0.01 | 1.03 | 0 | 0.97 | 0.01 | 0.97 | 0.01 | 1.09 | 0 | 0.73 | 0.07 | 1.09 | 0 |
►__intel_avx_rep_memcpy+ | gmx | 0.48 | 0.69 | 0.8 | 1.01 | 0.92 | 0.68 | 1.57 | 2.18 | 1.26 | 0.99 | 0.65 | 0.49 | 0.26 | 0.18 | 0.24 | 0.51 | 1.26 | 0.97 | 0.59 | 0.4 | 0.21 | 0.09 | 0.16 | 0.3 | 1 | 2 | 4 | 8 | 16 | 32 | 64 | 128 | 0.00 | 0.02 | 0.09 | 0.13 | 0.15 | 0.24 | 0.38 | 0.94 | 0.00 | 0.04 | 0.07 | 0.05 | 0.03 | 0.03 | 0.04 | 0.12 | Memory (%): 100.00 | Memory (%): 100.00 | Memory (%): 100.00 | Memory (%): 100.00 | Memory (%): 100.00 | Memory (%): 100.00 | Memory (%): 100.00 | Memory (%): 100.00 | | 1 | 0 | 0.65 | 0.24 | 0.53 | 0.37 | 0.39 | 0.61 | 0.38 | 0.58 | 0.44 | 0.38 | 0.12 | 1.38 | 0.03 | 2.11 |
○Loop 92 - - gmx | | 0.24 | 0.15 | 0.2 | 0.3 | 0.18 | 0.17 | 0.66 | 0.91 | 0.64 | 0.25 | 0.18 | 0.14 | 0.07 | 0.08 | 0.13 | 0.25 | 0.64 | 0.21 | 0.15 | 0.12 | 0.04 | 0.02 | 0.07 | 0.12 | 1 | 2 | 4 | 8 | 16 | 31 | 64 | 128 | 0.00 | 0.04 | 0.04 | 0.06 | 0.06 | 0.13 | 0.23 | 0.46 | 0.00 | 0.06 | 0.03 | 0.03 | 0.01 | 0.02 | 0.02 | 0.06 | | | | | | | | | | 1 | 0 | 1.52 | 0 | 1.07 | 0 | 0.67 | 0.1 | 1 | 0 | 1 | 0 | 0.14 | 0.57 | 0.04 | 0.87 |
○Loop 91 - - gmx | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0 | 0 | 0 | 0.01 | 0 | 0.01 | 0.03 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 1 | 0 | 1 | 1 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►__intel_avx_rep_memset+ | gmx | 0.47 | 0.39 | 0.53 | 0.88 | 0.92 | 0.76 | 0.73 | 1.01 | 1.24 | 0.6 | 0.47 | 0.41 | 0.27 | 0.16 | 0.14 | 0.3 | 1.24 | 0.55 | 0.39 | 0.35 | 0.21 | 0.1 | 0.08 | 0.14 | 1 | 2 | 4 | 8 | 16 | 32 | 64 | 128 | 0.00 | 0.05 | 0.11 | 0.16 | 0.19 | 0.16 | 0.25 | 0.52 | 0.00 | 0.08 | 0.08 | 0.06 | 0.04 | 0.02 | 0.02 | 0.07 | Memory (%): 100.00 | Memory (%): 100.00 | Memory (%): 100.00 | Memory (%): 100.00 | Memory (%): 100.00 | Memory (%): 100.00 | Memory (%): 100.00 | Memory (%): 100.00 | | 1 | 0 | 1.13 | 0 | 0.79 | 0.11 | 0.44 | 0.49 | 0.37 | 0.58 | 0.39 | 0.47 | 0.24 | 0.55 | 0.07 | 0.94 |
○Loop 93 - - gmx | | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0.1 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0.01 | 0.04 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0 | 0 | 0 | 0 | 1 | 3 | 8 | 119 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.02 | 0.06 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | | | | | | | | | | | | | | | | | | | | | | | | | |
►gmx::lincs_update_atoms(gmx::Lincs*, int, float, gmx::ArrayRef<float const>, gmx::ArrayRef<gmx::BasicVector<float> const>, gmx::ArrayRef<float const>, float (*) [3])+ | libgromacs.so.8 | 0.46 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1.21 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 1.21 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 3 | 3 | 4 | 9 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | libgromacs.so.8 (%): 100.00 | NA | NA | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I... | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
○Loop 14201 - lincs.cpp:376-391 - libgromacs.so.8 [...] | | 0.46 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1.21 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1.21 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
○Loop 14200 - lincs.cpp:396-409 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►pbc_dx_aiuc(t_pbc const*, float const*, float const*, float*)+ | libgromacs.so.8 | 0.43 | 0.4 | 0.36 | 0.38 | 0.29 | 0.27 | 0.23 | 0.09 | 1.13 | 0.57 | 0.32 | 0.22 | 0.1 | 0.06 | 0.05 | 0.04 | 1.13 | 0.56 | 0.26 | 0.15 | 0.07 | 0.04 | 0.02 | 0.01 | 1 | 2 | 4 | 8 | 16 | 32 | 64 | 107 | 0.00 | 0.01 | 0.06 | 0.09 | 0.08 | 0.09 | 0.11 | 0.06 | 0.00 | 0.02 | 0.04 | 0.04 | 0.02 | 0.01 | 0.01 | 0.01 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I... | 1 | 0 | 1.01 | -0 | 1.09 | 0 | 0.94 | 0.02 | 1.01 | -0 | 0.88 | 0.03 | 0.88 | 0.03 | 0.88 | 0.01 |
○Loop 5152 - pbc.cpp:911-915 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 5153 - pbc.cpp:872-874 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 5164 - pbc.cpp:951-953 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 5161 - pbc.cpp:959-961 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 5155 - pbc.cpp:872-874 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 5162 - pbc.cpp:951-953 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 5157 - pbc.cpp:835-1018 - libgromacs.so.8 [...]+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 5160 - pbc.cpp:1005-1009 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 5158 - pbc.cpp:1005-1009 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 5159 - pbc.cpp:1005-1009 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 5154 - pbc.cpp:864-866 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 5163 - pbc.cpp:959-961 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 5156 - pbc.cpp:864-866 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►std::enable_if<((BondedKernelFlavor)0)==((BondedKernelFlavor)0), float>::type (anonymous namespace)::pdihs<(BondedKernelFlavor)0>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, float, float*,...+ | libgromacs.so.8 | 0.42 | 0.37 | 0.38 | 0.33 | 0.28 | 0.25 | 0.16 | 0.06 | 1.11 | 0.54 | 0.29 | 0.17 | 0.08 | 0.06 | 0.04 | 0.02 | 1.11 | 0.52 | 0.28 | 0.13 | 0.06 | 0.03 | 0.02 | 0.01 | 1 | 2 | 4 | 8 | 16 | 32 | 61 | 97 | 0.00 | 0.02 | 0.02 | 0.05 | 0.07 | 0.09 | 0.09 | 0.04 | 0.00 | 0.03 | 0.02 | 0.02 | 0.02 | 0.01 | 0.01 | 0.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I... | 1 | 0 | 1.07 | 0 | 0.99 | 0 | 1.07 | 0 | 1.16 | 0 | 1.16 | 0 | 0.87 | 0.02 | 0.87 | 0.01 |
○Loop 15650 - bonded.cpp:2066-2126 - libgromacs.so.8 [...] | | 0.42 | 0.37 | 0.38 | 0.33 | 0.28 | 0.25 | 0.16 | 0.06 | 1.11 | 0.54 | 0.29 | 0.17 | 0.08 | 0.06 | 0.04 | 0.02 | 1.11 | 0.52 | 0.28 | 0.13 | 0.06 | 0.03 | 0.02 | 0.01 | 1 | 2 | 4 | 8 | 16 | 32 | 61 | 97 | 0.00 | 0.02 | 0.02 | 0.05 | 0.07 | 0.09 | 0.09 | 0.04 | 0.00 | 0.03 | 0.02 | 0.02 | 0.02 | 0.01 | 0.01 | 0.00 | | | | | | | | | | 1 | 0 | 1.07 | 0 | 0.99 | 0 | 1.07 | 0 | 1.16 | 0 | 1.16 | 0 | 0.87 | 0.02 | 0.87 | 0.01 |
►gmx::Update::Impl::update_coords(t_inputrec const&, long, int, bool, gmx::ArrayRef<ParticleType const>, gmx::ArrayRef<float const>, gmx::ArrayRef<gmx::BasicVector<float> const>, t_state*, gmx::ArrayRefWithPadding<gmx::BasicVe...+ | libgromacs.so.8 | 0.38 | 0.39 | 0.48 | 0.84 | 0.5 | 0.47 | 0.43 | 0.51 | 1 | 0.56 | 0.41 | 0.41 | 0.16 | 0.12 | 0.09 | 0.13 | 1 | 0.55 | 0.35 | 0.34 | 0.11 | 0.07 | 0.04 | 0.07 | 1 | 2 | 4 | 8 | 16 | 32 | 64 | 128 | 0.00 | 0.01 | 0.06 | 0.12 | 0.10 | 0.15 | 0.16 | 0.18 | 0.00 | 0.01 | 0.04 | 0.05 | 0.02 | 0.02 | 0.02 | 0.02 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I... | 1 | 0 | 0.91 | 0.04 | 0.71 | 0.14 | 0.37 | 0.53 | 0.57 | 0.22 | 0.45 | 0.26 | 0.39 | 0.26 | 0.11 | 0.45 |
○Loop 14603 - update.cpp:486-486 - libgromacs.so.8 [...] | | 0.33 | 0.34 | 0.42 | 0.76 | 0.43 | 0.42 | 0.37 | 0.46 | 0.87 | 0.5 | 0.37 | 0.37 | 0.14 | 0.1 | 0.08 | 0.12 | 0.87 | 0.48 | 0.31 | 0.3 | 0.1 | 0.06 | 0.04 | 0.06 | 1 | 2 | 4 | 8 | 16 | 32 | 64 | 128 | 0.00 | 0.02 | 0.07 | 0.11 | 0.10 | 0.13 | 0.16 | 0.18 | 0.00 | 0.03 | 0.05 | 0.04 | 0.02 | 0.02 | 0.02 | 0.02 | | | | | | | | | | 1 | 0 | 0.91 | 0.03 | 0.7 | 0.13 | 0.36 | 0.48 | 0.54 | 0.2 | 0.45 | 0.23 | 0.34 | 0.24 | 0.11 | 0.41 |
○Loop 14607 - update.cpp:367-393 - libgromacs.so.8 [...] | | 0.05 | 0.05 | 0.06 | 0.08 | 0.06 | 0.05 | 0.05 | 0.03 | 0.13 | 0.08 | 0.06 | 0.05 | 0.02 | 0.02 | 0.02 | 0.02 | 0.13 | 0.07 | 0.05 | 0.03 | 0.01 | 0.01 | 0 | 0 | 1 | 2 | 4 | 8 | 16 | 21 | 36 | 74 | 0.00 | 0.01 | 0.02 | 0.03 | 0.03 | 0.04 | 0.04 | 0.03 | 0.00 | 0.02 | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | | | | | | | | | | 1 | 0 | 0.93 | 0 | 0.65 | 0.02 | 0.54 | 0.04 | 0.81 | 0.01 | 0.41 | 0.03 | 1 | 0 | 1 | 0 |
○Loop 14606 - update.cpp:367-393 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 14612 - update.cpp:1312-1353 - libgromacs.so.8 [...]+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 14613 - update.cpp:1312-1353 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 14605 - update.cpp:367-393 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 14602 - update.cpp:595-659 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 14609 - update.cpp:367-393 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 14614 - update.cpp:1130-1191 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 14617 - update.cpp:881-902 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 14600 - exception_ptr.h:195-196 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 14611 - update.cpp:595-659 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 14610 - update.cpp:367-393 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 14615 - update.cpp:1130-1191 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 14608 - update.cpp:486-486 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 14604 - update.cpp:367-393 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 14599 - exception_ptr.h:195-196 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 14601 - update.cpp:595-659 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 14616 - update.cpp:937-953 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○_ZN12_GLOBAL__N_124do_dih_fup_noshiftf_simdEPKiS1_S1_S1_N3gmx9SimdFloatES3_S3_S3_S3_S3_S3_S3_PA4_f@@296 | libgromacs.so.8 | 0.36 | 0.29 | 0.32 | 0.27 | 0.23 | 0.19 | 0.14 | 0.06 | 0.94 | 0.46 | 0.3 | 0.12 | 0.09 | 0.05 | 0.04 | 0.02 | 0.94 | 0.41 | 0.24 | 0.11 | 0.05 | 0.03 | 0.01 | 0.01 | 1 | 2 | 4 | 8 | 16 | 31 | 59 | 102 | 0.00 | 0.06 | 0.07 | 0.05 | 0.09 | 0.08 | 0.08 | 0.04 | 0.00 | 0.08 | 0.05 | 0.02 | 0.02 | 0.01 | 0.01 | 0.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I... | 1 | 0 | 1.15 | 0 | 0.98 | 0.01 | 1.07 | 0 | 1.17 | 0 | 0.98 | 0 | 1.47 | 0 | 0.73 | 0.02 |
○mkl_dft_avx2_ownscDftInv_Fact4_32fc | libmkl_avx2.so | 0.34 | 0.32 | 0.3 | 0.33 | 0.57 | 0.8 | 1.04 | 1.07 | 0.9 | 0.46 | 0.25 | 0.17 | 0.24 | 0.15 | 0.16 | 0.23 | 0.9 | 0.45 | 0.22 | 0.13 | 0.13 | 0.11 | 0.11 | 0.14 | 1 | 2 | 4 | 8 | 16 | 32 | 64 | 128 | 0.00 | 0.01 | 0.06 | 0.07 | 0.38 | 0.14 | 0.22 | 0.29 | 0.00 | 0.02 | 0.04 | 0.03 | 0.08 | 0.02 | 0.02 | 0.04 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | | 1 | 0 | 1 | 0 | 1.02 | 0 | 0.87 | 0.04 | 0.43 | 0.32 | 0.26 | 0.6 | 0.13 | 0.91 | 0.05 | 1.02 |
○mkl_dft_avx2_ownscDftInv_Fact3_32fc | libmkl_avx2.so | 0.34 | 0.3 | 0.28 | 0.28 | 0.24 | 0.22 | 0.16 | 0.07 | 0.88 | 0.47 | 0.23 | 0.14 | 0.07 | 0.05 | 0.04 | 0.02 | 0.88 | 0.42 | 0.21 | 0.11 | 0.05 | 0.03 | 0.02 | 0.01 | 1 | 2 | 4 | 8 | 16 | 32 | 62 | 104 | 0.00 | 0.05 | 0.03 | 0.06 | 0.05 | 0.09 | 0.08 | 0.05 | 0.00 | 0.07 | 0.02 | 0.02 | 0.01 | 0.01 | 0.01 | 0.01 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | | 1 | 0 | 1.05 | 0 | 1.05 | 0 | 1 | 0 | 1.1 | 0 | 0.92 | 0.02 | 0.69 | 0.05 | 0.69 | 0.02 |
○mkl_dft_avx2_ownscDftFwd_Fact4_32fc | libmkl_avx2.so | 0.34 | 0.64 | 0.64 | 0.63 | 0.59 | 0.32 | 0.18 | 0.08 | 0.9 | 0.98 | 0.52 | 0.3 | 0.17 | 0.08 | 0.04 | 0.04 | 0.9 | 0.9 | 0.47 | 0.25 | 0.14 | 0.04 | 0.02 | 0.01 | 1 | 2 | 4 | 8 | 16 | 32 | 62 | 94 | 0.00 | 0.08 | 0.08 | 0.09 | 0.10 | 0.10 | 0.10 | 0.07 | 0.00 | 0.11 | 0.06 | 0.04 | 0.02 | 0.01 | 0.01 | 0.01 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | | 1 | 0 | 0.5 | 0.32 | 0.48 | 0.33 | 0.45 | 0.35 | 0.4 | 0.35 | 0.7 | 0.1 | 0.7 | 0.05 | 0.7 | 0.02 |
○mkl_dft_avx2_ipps_cFFTfwd_64_32fc | libmkl_avx2.so | 0.33 | 0.25 | 0.25 | 0.27 | 0.25 | 0.27 | 0.65 | 1.04 | 0.86 | 0.35 | 0.2 | 0.14 | 0.07 | 0.06 | 0.1 | 0.3 | 0.86 | 0.36 | 0.19 | 0.11 | 0.06 | 0.04 | 0.07 | 0.14 | 1 | 2 | 4 | 8 | 16 | 32 | 64 | 128 | 0.00 | 0.00 | 0.04 | 0.05 | 0.06 | 0.10 | 0.21 | 0.50 | 0.00 | 0.00 | 0.03 | 0.02 | 0.01 | 0.01 | 0.02 | 0.06 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | | 1 | 0 | 1.19 | 0 | 1.13 | 0 | 0.98 | 0.01 | 0.9 | 0.03 | 0.67 | 0.09 | 0.19 | 0.53 | 0.05 | 0.99 |
○mkl_dft_avx2_owns_cCcsRecombine_32f | libmkl_avx2.so | 0.31 | 0.3 | 0.25 | 0.26 | 0.26 | 0.17 | 0.14 | 0.08 | 0.82 | 0.46 | 0.23 | 0.15 | 0.1 | 0.04 | 0.04 | 0.14 | 0.82 | 0.42 | 0.18 | 0.1 | 0.06 | 0.02 | 0.01 | 0.01 | 1 | 2 | 4 | 8 | 16 | 30 | 53 | 88 | 0.00 | 0.04 | 0.06 | 0.07 | 0.07 | 0.08 | 0.09 | 0.18 | 0.00 | 0.06 | 0.04 | 0.03 | 0.02 | 0.01 | 0.01 | 0.02 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | | 1 | 0 | 0.98 | 0.01 | 1.14 | 0 | 1.02 | 0 | 0.85 | 0.04 | 1.28 | 0 | 1.28 | 0 | 0.64 | 0.03 |
○mkl_dft_avx2_ownscDftFwd_Fact3_32fc | libmkl_avx2.so | 0.3 | 0.32 | 0.3 | 0.23 | 0.26 | 0.19 | 0.14 | 0.06 | 0.8 | 0.49 | 0.29 | 0.11 | 0.09 | 0.06 | 0.03 | 0.02 | 0.8 | 0.45 | 0.22 | 0.09 | 0.06 | 0.03 | 0.01 | 0.01 | 1 | 2 | 4 | 8 | 16 | 32 | 61 | 105 | 0.00 | 0.05 | 0.08 | 0.03 | 0.09 | 0.08 | 0.08 | 0.03 | 0.00 | 0.07 | 0.06 | 0.01 | 0.02 | 0.01 | 0.01 | 0.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | | 1 | 0 | 0.89 | 0.04 | 0.91 | 0.03 | 1.11 | 0 | 0.83 | 0.04 | 0.83 | 0.03 | 1.25 | 0 | 0.63 | 0.02 |
○mkl_dft_avx2_owns_cRealRecombine_32f | libmkl_avx2.so | 0.26 | 0.23 | 0.24 | 0.32 | 0.65 | 1.14 | 2.34 | 3.66 | 0.68 | 0.33 | 0.21 | 0.15 | 0.17 | 0.22 | 0.31 | 0.74 | 0.68 | 0.33 | 0.18 | 0.13 | 0.15 | 0.16 | 0.25 | 0.5 | 1 | 2 | 4 | 8 | 16 | 32 | 64 | 128 | 0.00 | 0.01 | 0.05 | 0.04 | 0.08 | 0.18 | 0.37 | 1.14 | 0.00 | 0.01 | 0.03 | 0.02 | 0.02 | 0.02 | 0.04 | 0.15 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | | 1 | 0 | 1.03 | 0 | 0.94 | 0.01 | 0.65 | 0.11 | 0.28 | 0.47 | 0.13 | 0.99 | 0.04 | 2.24 | 0.01 | 3.62 |
○mkl_dft_avx2_ipps_cFFTinv_64_32fc | libmkl_avx2.so | 0.26 | 0.27 | 0.23 | 0.22 | 0.18 | 0.15 | 0.11 | 0.06 | 0.68 | 0.39 | 0.22 | 0.12 | 0.06 | 0.05 | 0.04 | 0.06 | 0.68 | 0.37 | 0.17 | 0.09 | 0.04 | 0.02 | 0.01 | 0.01 | 1 | 2 | 4 | 8 | 16 | 30 | 59 | 84 | 0.00 | 0.02 | 0.06 | 0.05 | 0.05 | 0.10 | 0.08 | 0.09 | 0.00 | 0.02 | 0.04 | 0.02 | 0.01 | 0.01 | 0.01 | 0.01 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | | 1 | 0 | 0.92 | 0.02 | 1 | 0 | 0.94 | 0.01 | 1.06 | 0 | 1.06 | 0 | 1.06 | 0 | 0.53 | 0.03 |
►copy_rvec_to_nbat_real(int const*, int, int, float const (*) [3], int, float*, int)+ | libgromacs.so.8 | 0.25 | 0.24 | 0.24 | 0.23 | 0.43 | 0.56 | 0.73 | 1.05 | 0.66 | 0.48 | 0.25 | 0.16 | 0.23 | 0.18 | 0.18 | 0.34 | 0.66 | 0.34 | 0.17 | 0.09 | 0.1 | 0.08 | 0.08 | 0.14 | 1 | 2 | 3 | 6 | 12 | 22 | 44 | 89 | 0.00 | 0.15 | 0.03 | 0.12 | 0.29 | 0.30 | 0.28 | 0.51 | 0.00 | 0.21 | 0.02 | 0.05 | 0.06 | 0.04 | 0.03 | 0.07 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I... | 1 | 0 | 0.97 | 0.01 | 0.97 | 0.01 | 0.92 | 0.02 | 0.41 | 0.25 | 0.26 | 0.42 | 0.13 | 0.64 | 0.04 | 1.01 |
○Loop 1871 - atomdata.cpp:226-233 - libgromacs.so.8 | | 0.25 | 0.24 | 0.23 | 0.23 | 0.43 | 0.56 | 0.73 | 1.04 | 0.65 | 0.48 | 0.25 | 0.16 | 0.23 | 0.18 | 0.18 | 0.34 | 0.65 | 0.34 | 0.17 | 0.09 | 0.1 | 0.08 | 0.08 | 0.14 | 1 | 2 | 3 | 6 | 11 | 22 | 44 | 87 | 0.00 | 0.15 | 0.04 | 0.12 | 0.25 | 0.30 | 0.28 | 0.46 | 0.00 | 0.21 | 0.03 | 0.05 | 0.06 | 0.04 | 0.03 | 0.06 | | | | | | | | | | 1 | 0 | 0.96 | 0.01 | 0.96 | 0.01 | 0.9 | 0.02 | 0.41 | 0.26 | 0.25 | 0.42 | 0.13 | 0.64 | 0.04 | 1 |
○Loop 1876 - atomdata.cpp:161-163 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 1877 - atomdata.cpp:154-158 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 1872 - atomdata.cpp:207-214 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 1869 - atomdata.cpp:240-247 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 1874 - atomdata.cpp:193-200 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 1870 - atomdata.cpp:240-247 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 1867 - atomdata.cpp:180-184 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 1868 - atomdata.cpp:172-176 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 1873 - atomdata.cpp:207-214 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 1875 - atomdata.cpp:161-163 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►reduceForces(nbnxn_atomdata_t*, gmx::AtomLocality, Nbnxm::GridSet const&, float (*) [3]) [clone .extracted]+ | libgromacs.so.8 | 0.18 | 0.23 | 0.23 | 0.27 | 0.2 | 0.14 | 0.1 | 0.05 | 0.48 | 0.32 | 0.21 | 0.14 | 0.07 | 0.04 | 0.02 | 0.02 | 0.48 | 0.32 | 0.17 | 0.11 | 0.05 | 0.02 | 0.01 | 0.01 | 1 | 2 | 4 | 8 | 16 | 30 | 52 | 90 | 0.00 | 0.01 | 0.05 | 0.07 | 0.08 | 0.07 | 0.05 | 0.03 | 0.00 | 0.01 | 0.03 | 0.03 | 0.02 | 0.01 | 0.00 | 0.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I... | 1 | 0 | 0.75 | 0.06 | 0.71 | 0.07 | 0.55 | 0.12 | 0.6 | 0.08 | 0.75 | 0.04 | 0.75 | 0.03 | 0.38 | 0.03 |
►Loop 1926 - atomdata.cpp:1118-1237 - libgromacs.so.8 [...]+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 1929 - atomdata.cpp:1142-1148 - libgromacs.so.8 [...] | | 0.18 | 0.23 | 0.23 | 0.27 | 0.2 | 0.14 | 0.1 | 0.05 | 0.48 | 0.32 | 0.21 | 0.14 | 0.07 | 0.04 | 0.02 | 0.02 | 0.48 | 0.32 | 0.17 | 0.11 | 0.05 | 0.02 | 0.01 | 0.01 | 1 | 2 | 4 | 8 | 16 | 30 | 52 | 89 | 0.00 | 0.01 | 0.05 | 0.07 | 0.08 | 0.07 | 0.05 | 0.03 | 0.00 | 0.01 | 0.03 | 0.03 | 0.02 | 0.01 | 0.00 | 0.00 | | | | | | | | | | 1 | 0 | 0.75 | 0.06 | 0.71 | 0.07 | 0.55 | 0.12 | 0.6 | 0.08 | 0.75 | 0.04 | 0.75 | 0.03 | 0.38 | 0.03 |
○Loop 1928 - atomdata.cpp:1132-1138 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 1927 - atomdata.cpp:1122-1128 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○DftiComputeBackward | libmkl_core.so | 0.17 | 0.16 | 0.14 | 0.13 | 0.12 | 0.1 | 0.07 | 0.03 | 0.44 | 0.25 | 0.11 | 0.07 | 0.04 | 0.03 | 0.03 | 0.02 | 0.44 | 0.23 | 0.1 | 0.05 | 0.03 | 0.01 | 0.01 | 0 | 1 | 2 | 4 | 8 | 16 | 30 | 47 | 66 | 0.00 | 0.02 | 0.02 | 0.03 | 0.05 | 0.05 | 0.06 | 0.02 | 0.00 | 0.04 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | | 1 | 0 | 0.96 | 0.01 | 1.1 | 0 | 1.1 | 0 | 0.92 | 0.01 | 1.38 | 0 | 0.69 | 0.02 | 1 | 0 |
○DftiComputeForward | libmkl_core.so | 0.15 | 0.14 | 0.13 | 0.11 | 0.11 | 0.09 | 0.07 | 0.03 | 0.4 | 0.23 | 0.15 | 0.06 | 0.04 | 0.03 | 0.03 | 0.04 | 0.4 | 0.2 | 0.1 | 0.05 | 0.03 | 0.01 | 0.01 | 0 | 1 | 2 | 4 | 8 | 16 | 27 | 50 | 70 | 0.00 | 0.02 | 0.05 | 0.03 | 0.05 | 0.05 | 0.05 | 0.05 | 0.00 | 0.04 | 0.04 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 0.83 | 0.02 | 1.25 | 0 | 0.63 | 0.03 | 1 | 0 |
○bond_angle(float const*, float const*, float const*, t_pbc const*, float*, float*, float*, int*, int*) | libgromacs.so.8 | 0.15 | 0.1 | 0.14 | 0.1 | 0.1 | 0.08 | 0.05 | 0.02 | 0.39 | 0.15 | 0.14 | 0.06 | 0.04 | 0.03 | 0.01 | 0.01 | 0.39 | 0.14 | 0.1 | 0.04 | 0.02 | 0.01 | 0.01 | 0 | 1 | 2 | 4 | 8 | 16 | 28 | 43 | 51 | 0.00 | 0.01 | 0.05 | 0.03 | 0.05 | 0.05 | 0.04 | 0.02 | 0.00 | 0.02 | 0.04 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I... | 1 | 0 | 1.39 | 0 | 0.97 | 0 | 1.22 | 0 | 1.22 | 0 | 1.22 | 0 | 0.61 | 0.02 | 1 | 0 |
○dih_angle(float const*, float const*, float const*, float const*, t_pbc const*, float*, float*, float*, float*, float*, int*, int*, int*) | libgromacs.so.8 | 0.15 | 0.13 | 0.12 | 0.1 | 0.09 | 0.09 | 0.06 | 0.02 | 0.4 | 0.2 | 0.12 | 0.06 | 0.05 | 0.03 | 0.02 | 0.02 | 0.4 | 0.19 | 0.09 | 0.04 | 0.02 | 0.01 | 0.01 | 0 | 1 | 2 | 4 | 8 | 15 | 31 | 44 | 53 | 0.00 | 0.01 | 0.03 | 0.03 | 0.04 | 0.06 | 0.05 | 0.02 | 0.00 | 0.02 | 0.02 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I... | 1 | 0 | 1.05 | 0 | 1.11 | 0 | 1.25 | 0 | 1.25 | 0 | 1.25 | 0 | 0.63 | 0.02 | 1 | 0 |
○energyDriftAtomPair(bool, bool, float, float, float, float, pot_derivatives_t const*) | libgromacs.so.8 | 0.14 | 0.12 | 0.11 | 0.08 | 0.08 | 0.07 | 0.06 | 0.02 | 0.38 | 0.33 | 0.33 | 0.26 | 0.3 | 0.31 | 0.37 | 0.34 | 0.38 | 0.17 | 0.08 | 0.03 | 0.02 | 0.01 | 0.01 | 0 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I... | 1 | 0 | 1.12 | 0 | 1.19 | 0 | 1.58 | 0 | 1.19 | 0 | 1.19 | 0 | 0.59 | 0.02 | 1 | 0 |
○evaluate_single(float, float, float const*, float, float, float, float, float*, float*) | libgromacs.so.8 | 0.14 | 0.12 | 0.11 | 0.13 | 0.08 | 0.09 | 0.07 | 0.02 | 0.36 | 0.18 | 0.1 | 0.07 | 0.04 | 0.02 | 0.02 | 0.01 | 0.36 | 0.17 | 0.08 | 0.05 | 0.02 | 0.01 | 0.01 | 0 | 1 | 2 | 4 | 8 | 16 | 28 | 44 | 53 | 0.00 | 0.01 | 0.02 | 0.06 | 0.05 | 0.04 | 0.05 | 0.02 | 0.00 | 0.02 | 0.02 | 0.02 | 0.01 | 0.01 | 0.01 | 0.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I... | 1 | 0 | 1.06 | 0 | 1.13 | 0 | 0.9 | 0.01 | 1.13 | 0 | 1.13 | 0 | 0.56 | 0.03 | 1 | 0 |
►gmx::Update::Impl::finish_update(t_inputrec const&, bool, int, gmx::ArrayRef<unsigned short const>, t_state*, gmx_wallcycle*, bool) [clone .extracted]+ | libgromacs.so.8 | 0.11 | 0.1 | 0.15 | 0.1 | 0.23 | 0.44 | 0.63 | 0.65 | 0.28 | 0.18 | 0.13 | 0.06 | 0.09 | 0.1 | 0.15 | 0.14 | 0.28 | 0.14 | 0.11 | 0.04 | 0.05 | 0.06 | 0.07 | 0.09 | 1 | 2 | 4 | 8 | 16 | 32 | 64 | 128 | 0.00 | 0.05 | 0.02 | 0.04 | 0.09 | 0.16 | 0.24 | 0.20 | 0.00 | 0.06 | 0.02 | 0.01 | 0.02 | 0.02 | 0.02 | 0.03 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I... | 1 | 0 | 1 | 0 | 0.64 | 0.05 | 0.88 | 0.01 | 0.35 | 0.15 | 0.15 | 0.38 | 0.06 | 0.59 | 0.02 | 0.63 |
○Loop 14619 - update.cpp:1660-1664 - libgromacs.so.8 [...] | | 0.11 | 0.1 | 0.15 | 0.1 | 0.22 | 0.44 | 0.63 | 0.65 | 0.28 | 0.18 | 0.13 | 0.06 | 0.09 | 0.1 | 0.15 | 0.14 | 0.28 | 0.14 | 0.11 | 0.04 | 0.05 | 0.06 | 0.07 | 0.09 | 1 | 2 | 4 | 8 | 16 | 32 | 64 | 128 | 0.00 | 0.05 | 0.02 | 0.04 | 0.08 | 0.16 | 0.24 | 0.20 | 0.00 | 0.06 | 0.02 | 0.01 | 0.02 | 0.02 | 0.02 | 0.03 | | | | | | | | | | 1 | 0 | 1 | 0 | 0.64 | 0.05 | 0.88 | 0.01 | 0.35 | 0.14 | 0.15 | 0.38 | 0.06 | 0.59 | 0.02 | 0.63 |
○Loop 14618 - update.cpp:1660-1664 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 3 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○void do_dih_fup<(BondedKernelFlavor)2>(int, int, int, int, float, float*, float*, float*, float*, float*, float (*) [4], float (*) [3], t_pbc const*, float const (*) [3], int, int, int) | libgromacs.so.8 | 0.11 | 0.11 | 0.1 | 0.09 | 0.09 | 0.08 | 0.06 | 0.02 | 0.3 | 0.16 | 0.09 | 0.05 | 0.03 | 0.02 | 0.03 | 0.01 | 0.3 | 0.15 | 0.07 | 0.04 | 0.02 | 0.01 | 0.01 | 0 | 1 | 2 | 4 | 8 | 15 | 28 | 44 | 46 | 0.00 | 0.01 | 0.02 | 0.04 | 0.04 | 0.04 | 0.05 | 0.02 | 0.00 | 0.01 | 0.01 | 0.02 | 0.01 | 0.01 | 0.00 | 0.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I... | 1 | 0 | 1 | 0 | 1.07 | 0 | 0.94 | 0.01 | 0.94 | 0.01 | 0.94 | 0.01 | 0.47 | 0.03 | 1 | 0 |
○compute_1d_small_fwd | libmkl_avx2.so | 0.11 | 0.06 | 0.05 | 0.05 | 0.05 | 0.07 | 0.03 | 0.01 | 0.29 | 0.09 | 0.06 | 0.03 | 0.02 | 0.03 | 0.01 | 0.01 | 0.29 | 0.09 | 0.04 | 0.02 | 0.01 | 0.01 | 0 | 0 | 1 | 2 | 4 | 8 | 14 | 24 | 31 | 31 | 0.00 | 0.01 | 0.02 | 0.02 | 0.03 | 0.05 | 0.02 | 0.02 | 0.00 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | | 1 | 0 | 1.61 | 0 | 1.81 | 0 | 1.81 | 0 | 1.81 | 0 | 0.91 | 0.01 | 1 | 0 | 1 | 0 |
►calc_ke_part_normal(gmx::ArrayRef<gmx::BasicVector<float> const>, t_grpopts const*, t_mdatoms const*, gmx_ekindata_t*, t_nrnb*, bool) [clone .extracted]+ | libgromacs.so.8 | 0.1 | 0.09 | 0.11 | 0.08 | 0.07 | 0.06 | 0.04 | 0.04 | 0.25 | 0.13 | 0.1 | 0.05 | 0.03 | 0.02 | 0.02 | 0.02 | 0.25 | 0.13 | 0.08 | 0.03 | 0.02 | 0.01 | 0 | 0.01 | 1 | 2 | 4 | 8 | 16 | 26 | 29 | 82 | 0.00 | 0.01 | 0.02 | 0.03 | 0.03 | 0.04 | 0.04 | 0.03 | 0.00 | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 0.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I... | 1 | 0 | 0.96 | 0 | 0.78 | 0.02 | 1.04 | -0 | 0.78 | 0.02 | 0.78 | 0.01 | 1 | 0 | 0.2 | 0.03 |
►Loop 14257 - md_support.cpp:113-157 - libgromacs.so.8 [...]+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 14258 - md_support.cpp:139-157 - libgromacs.so.8 [...] | | 0.1 | 0.09 | 0.11 | 0.07 | 0.07 | 0.06 | 0.04 | 0.04 | 0.25 | 0.13 | 0.1 | 0.05 | 0.03 | 0.02 | 0.02 | 0.02 | 0.25 | 0.13 | 0.08 | 0.03 | 0.02 | 0.01 | 0 | 0.01 | 1 | 2 | 4 | 8 | 16 | 26 | 29 | 81 | 0.00 | 0.01 | 0.02 | 0.03 | 0.03 | 0.04 | 0.04 | 0.03 | 0.00 | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 0.00 | | | | | | | | | | 1 | 0 | 0.96 | 0 | 0.78 | 0.02 | 1.04 | -0 | 0.78 | 0.02 | 0.78 | 0.01 | 1 | 0 | 0.2 | 0.03 |
○__libm_sincosf_e7 | gmx | 0.1 | 0.08 | 0.09 | 0.08 | 0.08 | 0.06 | 0.04 | 0.01 | 0.26 | 0.11 | 0.09 | 0.06 | 0.05 | 0.02 | 0.01 | 0.01 | 0.26 | 0.11 | 0.07 | 0.03 | 0.02 | 0.01 | 0 | 0 | 1 | 2 | 4 | 8 | 16 | 26 | 34 | 46 | 0.00 | 0.00 | 0.02 | 0.05 | 0.05 | 0.04 | 0.04 | 0.01 | 0.00 | 0.00 | 0.02 | 0.02 | 0.01 | 0.00 | 0.00 | 0.00 | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | | 1 | 0 | 1.18 | 0 | 0.93 | 0.01 | 1.08 | 0 | 0.81 | 0.01 | 0.81 | 0.01 | 1 | 0 | 1 | 0 |
○mkl_dft_avx2_ownscDftInv_PrimeFact_32fc | libmkl_avx2.so | 0.1 | 0.1 | 0.1 | 0.08 | 0.05 | 0.07 | 0.04 | 0.02 | 0.25 | 0.14 | 0.11 | 0.06 | 0.04 | 0.02 | 0.02 | 0.01 | 0.25 | 0.14 | 0.07 | 0.03 | 0.01 | 0.01 | 0 | 0 | 1 | 2 | 4 | 8 | 15 | 27 | 35 | 48 | 0.00 | 0.01 | 0.04 | 0.03 | 0.04 | 0.04 | 0.05 | 0.02 | 0.00 | 0.01 | 0.03 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | | 1 | 0 | 0.89 | 0.01 | 0.89 | 0.01 | 1.04 | -0 | 1.56 | 0 | 0.78 | 0.02 | 1 | 0 | 1 | 0 |
►std::enable_if<(((BondedKernelFlavor)2)!=((BondedKernelFlavor)0))||(!(1)), float>::type (anonymous namespace)::pdihs<(BondedKernelFlavor)2>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, floa...+ | libgromacs.so.8 | 0.09 | 0.09 | 0.09 | 0.09 | 0.07 | 0.06 | 0.04 | 0.01 | 0.23 | 0.12 | 0.07 | 0.05 | 0.02 | 0.02 | 0.01 | 0.01 | 0.23 | 0.12 | 0.06 | 0.03 | 0.02 | 0.01 | 0 | 0 | 1 | 2 | 4 | 8 | 16 | 25 | 34 | 37 | 0.00 | 0.00 | 0.01 | 0.03 | 0.03 | 0.05 | 0.03 | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I... | 1 | 0 | 0.96 | 0 | 0.96 | 0 | 0.96 | 0 | 0.72 | 0.02 | 0.72 | 0.02 | 1 | 0 | 1 | 0 |
►Loop 15705 - bonded.cpp:1913-2011 - libgromacs.so.8 [...]+ | | 0.02 | 0.02 | 0.01 | 0.02 | 0.02 | 0.01 | 0.01 | 0 | 0.05 | 0.04 | 0.01 | 0.02 | 0.01 | 0.01 | 0.01 | 0 | 0.05 | 0.03 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 1 | 2 | 4 | 6 | 10 | 10 | 10 | 10 | 0.00 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.02 | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | 1 | 0 | 0.83 | 0 | 1.25 | -0 | 0.63 | 0.01 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
○Loop 15706 - bonded.cpp:1913-2008 - libgromacs.so.8 [...] | | 0.07 | 0.07 | 0.07 | 0.06 | 0.05 | 0.05 | 0.03 | 0.01 | 0.18 | 0.1 | 0.06 | 0.04 | 0.02 | 0.02 | 0.01 | 0.01 | 0.18 | 0.09 | 0.05 | 0.02 | 0.01 | 0.01 | 0 | 0 | 1 | 2 | 4 | 8 | 14 | 21 | 28 | 29 | 0.00 | 0.00 | 0.01 | 0.03 | 0.02 | 0.04 | 0.02 | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | | | | | | | | | | 1 | 0 | 1 | 0 | 0.9 | 0.01 | 1.13 | 0 | 1.13 | 0 | 0.56 | 0.02 | 1 | 0 | 1 | 0 |
►void gmx::(anonymous namespace)::reduceThreadForceBuffers<float [4]>(gmx::ArrayRef<gmx::BasicVector<float> >, gmx::ArrayRef<std::unique_ptr<gmx::ThreadForceBuffer<float [4]>, std::default_delete<gmx::ThreadForceBuffer<fl...+ | libgromacs.so.8 | 0.09 | 0.12 | 0.27 | 0.23 | 0.34 | 0.31 | 0.46 | 0.3 | 0.23 | 0.2 | 0.26 | 0.12 | 0.11 | 0.07 | 0.09 | 0.09 | 0.23 | 0.17 | 0.2 | 0.09 | 0.08 | 0.04 | 0.05 | 0.04 | 1 | 2 | 4 | 8 | 16 | 32 | 64 | 128 | 0.00 | 0.02 | 0.06 | 0.06 | 0.10 | 0.13 | 0.20 | 0.13 | 0.00 | 0.04 | 0.05 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I... | 1 | 0 | 0.68 | 0.04 | 0.29 | 0.19 | 0.32 | 0.16 | 0.18 | 0.28 | 0.18 | 0.25 | 0.07 | 0.43 | 0.04 | 0.29 |
►Loop 4839 - threaded_force_buffer.cpp:170-211 - libgromacs.so.8 [...]+ | | 0.01 | 0.01 | 0.01 | 0.01 | 0.02 | 0.01 | 0.01 | 0.01 | 0.02 | 0.01 | 0.01 | 0.01 | 0.02 | 0.01 | 0.01 | 0.01 | 0.02 | 0.01 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 1 | 2 | 4 | 6 | 7 | 11 | 10 | 20 | 0.00 | 0.00 | 0.01 | 0.01 | 0.04 | 0.00 | 0.02 | 0.02 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 4843 - threaded_force_buffer.cpp:200-200 - libgromacs.so.8 [...] | | 0.07 | 0.04 | 0.05 | 0.03 | 0.03 | 0.01 | 0.01 | 0 | 0.19 | 0.06 | 0.04 | 0.03 | 0.05 | 0.01 | 0.02 | 0.01 | 0.19 | 0.05 | 0.04 | 0.01 | 0.01 | 0 | 0 | 0 | 1 | 2 | 4 | 4 | 8 | 7 | 12 | 8 | 0.00 | 0.01 | 0.01 | 0.02 | 0.07 | 0.01 | 0.04 | 0.01 | 0.00 | 0.01 | 0.01 | 0.01 | 0.02 | 0.00 | 0.00 | 0.00 | | | | | | | | | | 1 | 0 | 1.9 | 0 | 1.19 | 0 | 2.38 | 0 | 1.19 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
○Loop 4844 - threaded_force_buffer.cpp:182-186 - libgromacs.so.8 [...] | | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0.03 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0.03 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 4840 - threaded_force_buffer.cpp:207-211 - libgromacs.so.8 [...]+ | | 0 | 0.02 | 0.05 | 0.03 | 0.03 | 0.03 | 0.04 | 0.02 | 0 | 0.04 | 0.05 | 0.03 | 0.01 | 0.02 | 0.02 | 0.02 | 0 | 0.03 | 0.04 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 2 | 4 | 7 | 12 | 17 | 33 | 50 | 0.00 | 0.01 | 0.01 | 0.02 | 0.02 | 0.04 | 0.04 | 0.03 | 0.00 | 0.02 | 0.01 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
○Loop 4841 - threaded_force_buffer.cpp:209-211 - libgromacs.so.8 [...] | | 0 | 0.05 | 0.13 | 0.14 | 0.19 | 0.13 | 0.18 | 0.09 | 0 | 0.07 | 0.16 | 0.07 | 0.07 | 0.05 | 0.06 | 0.05 | 0 | 0.07 | 0.1 | 0.05 | 0.04 | 0.02 | 0.02 | 0.01 | 0 | 2 | 4 | 8 | 16 | 29 | 60 | 110 | 0.00 | 0.00 | 0.06 | 0.06 | 0.09 | 0.08 | 0.15 | 0.08 | 0.00 | 0.00 | 0.04 | 0.02 | 0.02 | 0.01 | 0.01 | 0.01 | | | | | | | | | | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
○Loop 4842 - threaded_force_buffer.cpp:209-211 - libgromacs.so.8 [...] | | 0 | 0 | 0.01 | 0 | 0.05 | 0.07 | 0.13 | 0.13 | 0 | 0 | 0.01 | 0 | 0.03 | 0.03 | 0.05 | 0.07 | 0 | 0 | 0.01 | 0 | 0.01 | 0.01 | 0.01 | 0.02 | 0 | 0 | 3 | 2 | 11 | 24 | 49 | 113 | 0.00 | 0.00 | 0.01 | 0.00 | 0.04 | 0.07 | 0.13 | 0.10 | 0.00 | 0.00 | 0.01 | 0.00 | 0.01 | 0.01 | 0.01 | 0.01 | | | | | | | | | | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
○Loop 4845 - threaded_force_buffer.cpp:182-186 - libgromacs.so.8 [...] | | 0 | 0 | 0.01 | 0.02 | 0.02 | 0.05 | 0.07 | 0.04 | 0 | 0 | 0.01 | 0.02 | 0.01 | 0.02 | 0.02 | 0.02 | 0 | 0 | 0.01 | 0.01 | 0 | 0.01 | 0.01 | 0.01 | 0 | 0 | 3 | 6 | 8 | 22 | 50 | 89 | 0.00 | 0.00 | 0.00 | 0.02 | 0.02 | 0.03 | 0.04 | 0.03 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
►setupForceOutputs(ForceHelperBuffers*, gmx::ArrayRefWithPadding<gmx::BasicVector<float> >, gmx::DomainLifetimeWorkload const&, gmx::StepWorkload const&, bool, gmx_wallcycle*)+ | libgromacs.so.8 | 0.09 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.23 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.23 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | libgromacs.so.8 (%): 100.00 | NA | NA | NA | NA | NA | NA | NA | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I... | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
○Loop 14504 - sim_util.cpp:466-466 - libgromacs.so.8 [...] | | 0.06 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.17 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.17 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
○Loop 14502 - sim_util.cpp:466-466 - libgromacs.so.8 [...] | | 0.02 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.05 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.05 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 14503 - sim_util.cpp:466-466 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○__libm_erfcf_ex | gmx | 0.08 | 0.09 | 0.07 | 0.07 | 0.06 | 0.06 | 0.03 | 0.01 | 0.2 | 0.25 | 0.2 | 0.23 | 0.2 | 0.26 | 0.18 | 0.22 | 0.2 | 0.13 | 0.05 | 0.03 | 0.01 | 0.01 | 0 | 0 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | | 1 | 0 | 0.77 | 0.02 | 1 | 0 | 0.83 | 0.01 | 1.25 | 0 | 0.63 | 0.02 | 1 | 0 | 1 | 0 |
○__libm_atan2f_l9 | gmx | 0.08 | 0.09 | 0.1 | 0.1 | 0.09 | 0.05 | 0.05 | 0.02 | 0.22 | 0.13 | 0.09 | 0.05 | 0.04 | 0.02 | 0.02 | 0.02 | 0.22 | 0.13 | 0.08 | 0.04 | 0.02 | 0.01 | 0.01 | 0 | 1 | 2 | 4 | 8 | 16 | 26 | 40 | 47 | 0.00 | 0.00 | 0.03 | 0.02 | 0.05 | 0.03 | 0.04 | 0.02 | 0.00 | 0.00 | 0.02 | 0.01 | 0.01 | 0.00 | 0.00 | 0.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | | 1 | 0 | 0.85 | 0.01 | 0.69 | 0.03 | 0.69 | 0.03 | 0.69 | 0.03 | 0.69 | 0.02 | 0.34 | 0.03 | 1 | 0 |
►gmx::ThreadForceBuffer<float [4]>::clearForcesAndEnergies()+ | libgromacs.so.8 | 0.08 | 0.11 | 0.16 | 0.28 | 0.36 | 0.27 | 0.39 | 0.27 | 0.21 | 0.16 | 0.15 | 0.15 | 0.15 | 0.08 | 0.1 | 0.12 | 0.21 | 0.16 | 0.12 | 0.11 | 0.08 | 0.04 | 0.04 | 0.04 | 1 | 2 | 4 | 8 | 16 | 32 | 63 | 127 | 0.00 | 0.01 | 0.04 | 0.06 | 0.13 | 0.11 | 0.23 | 0.18 | 0.00 | 0.01 | 0.03 | 0.02 | 0.03 | 0.01 | 0.02 | 0.02 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I... | 1 | 0 | 0.66 | 0.04 | 0.44 | 0.09 | 0.24 | 0.21 | 0.16 | 0.3 | 0.16 | 0.23 | 0.08 | 0.36 | 0.04 | 0.26 |
○Loop 4901 - threaded_force_buffer.cpp:78-78 - libgromacs.so.8 [...] | | 0.08 | 0.11 | 0.16 | 0.28 | 0.36 | 0.26 | 0.38 | 0.25 | 0.21 | 0.16 | 0.15 | 0.14 | 0.14 | 0.06 | 0.1 | 0.11 | 0.21 | 0.16 | 0.12 | 0.11 | 0.08 | 0.04 | 0.04 | 0.03 | 1 | 2 | 4 | 8 | 16 | 32 | 63 | 127 | 0.00 | 0.01 | 0.04 | 0.06 | 0.13 | 0.11 | 0.23 | 0.18 | 0.00 | 0.01 | 0.03 | 0.02 | 0.03 | 0.01 | 0.02 | 0.02 | | | | | | | | | | 1 | 0 | 0.66 | 0.04 | 0.44 | 0.09 | 0.24 | 0.21 | 0.16 | 0.3 | 0.16 | 0.22 | 0.08 | 0.35 | 0.05 | 0.24 |
○Loop 4899 - threaded_force_buffer.cpp:92-94 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 4890 - threaded_force_buffer.cpp:92-94 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 4897 - threaded_force_buffer.cpp:92-94 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 4895 - threaded_force_buffer.cpp:92-94 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 4900 - threaded_force_buffer.cpp:78-78 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0.01 | 0.01 | 0.02 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 7 | 13 | 45 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.02 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 4893 - threaded_force_buffer.cpp:92-94 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 4896 - threaded_force_buffer.cpp:92-94 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 4898 - threaded_force_buffer.cpp:92-94 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 4894 - threaded_force_buffer.cpp:92-94 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 4891 - threaded_force_buffer.cpp:92-94 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 4892 - threaded_force_buffer.cpp:92-94 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►std::enable_if<(((BondedKernelFlavor)2)!=((BondedKernelFlavor)0))||(!(1)), float>::type (anonymous namespace)::angles<(BondedKernelFlavor)2>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, flo...+ | libgromacs.so.8 | 0.08 | 0.1 | 0.09 | 0.1 | 0.07 | 0.05 | 0.04 | 0.02 | 0.21 | 0.17 | 0.1 | 0.07 | 0.04 | 0.03 | 0.01 | 0.01 | 0.21 | 0.15 | 0.07 | 0.04 | 0.02 | 0.01 | 0 | 0 | 1 | 2 | 4 | 8 | 15 | 23 | 32 | 38 | 0.00 | 0.02 | 0.03 | 0.05 | 0.05 | 0.04 | 0.03 | 0.02 | 0.00 | 0.04 | 0.02 | 0.02 | 0.01 | 0.00 | 0.00 | 0.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I... | 1 | 0 | 0.7 | 0.03 | 0.75 | 0.02 | 0.66 | 0.03 | 0.66 | 0.02 | 0.66 | 0.02 | 1 | 0 | 1 | 0 |
○Loop 15696 - vec.h:141-335 - libgromacs.so.8 [...] | | 0.08 | 0.1 | 0.09 | 0.1 | 0.07 | 0.05 | 0.04 | 0.02 | 0.21 | 0.17 | 0.1 | 0.07 | 0.04 | 0.03 | 0.01 | 0.01 | 0.21 | 0.15 | 0.07 | 0.04 | 0.02 | 0.01 | 0 | 0 | 1 | 2 | 4 | 8 | 15 | 23 | 32 | 38 | 0.00 | 0.02 | 0.03 | 0.05 | 0.05 | 0.04 | 0.03 | 0.02 | 0.00 | 0.04 | 0.02 | 0.02 | 0.01 | 0.00 | 0.00 | 0.00 | | | | | | | | | | 1 | 0 | 0.7 | 0.03 | 0.75 | 0.02 | 0.66 | 0.03 | 0.66 | 0.02 | 0.66 | 0.02 | 1 | 0 | 1 | 0 |
○mkl_dft_avx2_ownscDftFwd_PrimeFact_32fc | libmkl_avx2.so | 0.08 | 0.07 | 0.09 | 0.09 | 0.06 | 0.06 | 0.03 | 0.02 | 0.2 | 0.11 | 0.07 | 0.06 | 0.02 | 0.02 | 0.02 | 0.01 | 0.2 | 0.11 | 0.07 | 0.04 | 0.01 | 0.01 | 0 | 0 | 1 | 2 | 4 | 8 | 15 | 26 | 26 | 40 | 0.00 | 0.00 | 0.01 | 0.03 | 0.03 | 0.04 | 0.04 | 0.02 | 0.00 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | | 1 | 0 | 0.91 | 0.01 | 0.71 | 0.03 | 0.63 | 0.03 | 1.25 | 0 | 0.63 | 0.02 | 1 | 0 | 1 | 0 |
►int assignInteractionsForAtom<true>(AtomIndexSet const&, reverse_ilist_t const&, gmx_ga2la_t const&, gmx_domdec_zones_t const&, bool, int const*, bool, float, t_pbc const*, gmx::ArrayRef<gmx::BasicVector<float> const>, Int...+ | libgromacs.so.8 | 0.08 | 0.07 | 0.05 | 0.06 | 0.07 | 0.07 | 0.03 | 0.02 | 0.2 | 0.12 | 0.08 | 0.04 | 0.04 | 0.03 | 0.02 | 0.01 | 0.2 | 0.1 | 0.04 | 0.02 | 0.02 | 0.01 | 0 | 0 | 1 | 2 | 4 | 8 | 15 | 24 | 25 | 42 | 0.00 | 0.02 | 0.05 | 0.04 | 0.05 | 0.06 | 0.04 | 0.02 | 0.00 | 0.03 | 0.04 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I... | 1 | 0 | 1 | 0 | 1.25 | 0 | 1.25 | 0 | 0.63 | 0.03 | 0.63 | 0.03 | 1 | 0 | 1 | 0 |
►Loop 4128 - hashedmap.h:274-281 - libgromacs.so.8 [...]+ | | 0.05 | 0.04 | 0.02 | 0.04 | 0.04 | 0.04 | 0.01 | 0.01 | 0.14 | 0.07 | 0.04 | 0.04 | 0.02 | 0.02 | 0.01 | 0.01 | 0.14 | 0.05 | 0.02 | 0.02 | 0.01 | 0.01 | 0 | 0 | 1 | 2 | 2 | 6 | 10 | 17 | 16 | 28 | 0.00 | 0.02 | 0.01 | 0.03 | 0.04 | 0.04 | 0.01 | 0.02 | 0.00 | 0.02 | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | | | | | | | | | | 1 | 0 | 1.4 | 0 | 1.75 | 0 | 0.88 | 0 | 0.88 | 0 | 0.44 | 0.02 | 1 | 0 | 1 | 0 |
►Loop 4131 - stl_vector.h:1064-1064 - libgromacs.so.8 [...]+ | | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0 | 0.02 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0 | 0.02 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 0 | 1 | 2 | 2 | 4 | 7 | 10 | 8 | 11 | 0.00 | 0.00 | 0.00 | 0.01 | 0.02 | 0.01 | 0.05 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 4132 - hashedmap.h:277-281 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 4129 - idef.h:245-247 - libgromacs.so.8 | | 0 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0.01 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 0 | 1 | 2 | 3 | 1 | 1 | 2 | 1 | 2 | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 4130 - idef.h:245-247 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 4 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 4133 - hashedmap.h:277-281 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►wrap_periodic_pmegrid(gmx_pme_t const*, float*)+ | libgromacs.so.8 | 0.07 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.17 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.17 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | libgromacs.so.8 (%): 100.00 | NA | NA | NA | NA | NA | NA | NA | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I... | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
►Loop 16060 - pme_grid.cpp:436-442 - libgromacs.so.8+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 16061 - pme_grid.cpp:438-442 - libgromacs.so.8+ | | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.02 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.02 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 16062 - pme_grid.cpp:440-442 - libgromacs.so.8 | | 0.04 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.11 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.11 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
○Loop 16063 - pme_grid.cpp:440-442 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 16052 - pme_grid.cpp:465-471 - libgromacs.so.8+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 16053 - pme_grid.cpp:467-471 - libgromacs.so.8+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 16055 - pme_grid.cpp:469-471 - libgromacs.so.8 | | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.02 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.02 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 16054 - pme_grid.cpp:469-471 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 16056 - pme_grid.cpp:440-455 - libgromacs.so.8 [...]+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 16057 - pme_grid.cpp:451-455 - libgromacs.so.8+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 16059 - pme_grid.cpp:453-455 - libgromacs.so.8 | | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.03 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.03 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 16058 - pme_grid.cpp:453-455 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○mkl_dft_avx2_ippsFFTInv_CCSToR_32f | libmkl_avx2.so | 0.06 | 0.05 | 0.07 | 0.04 | 0.04 | 0.03 | 0.02 | 0.02 | 0.16 | 0.08 | 0.05 | 0.03 | 0.03 | 0.02 | 0.01 | 0.03 | 0.16 | 0.07 | 0.05 | 0.02 | 0.01 | 0 | 0 | 0 | 1 | 2 | 4 | 7 | 14 | 18 | 19 | 38 | 0.00 | 0.01 | 0.01 | 0.02 | 0.04 | 0.03 | 0.02 | 0.05 | 0.00 | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 0.01 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | | 1 | 0 | 1.14 | 0 | 0.8 | 0.01 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
►do_pairs(int, int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, float const*, float*, gmx::ArrayRef<float const>, gmx::ArrayRef<float const>, gmx::ArrayRef<bool const>, gmx::ArrayRef<un...+ | libgromacs.so.8 | 0.06 | 0.08 | 0.07 | 0.08 | 0.05 | 0.03 | 0.03 | 0.01 | 0.16 | 0.13 | 0.05 | 0.05 | 0.02 | 0.01 | 0.01 | 0.01 | 0.16 | 0.11 | 0.05 | 0.03 | 0.01 | 0 | 0 | 0 | 1 | 2 | 4 | 8 | 14 | 18 | 28 | 32 | 0.00 | 0.02 | 0.01 | 0.03 | 0.03 | 0.02 | 0.03 | 0.01 | 0.00 | 0.03 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 0.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I... | 1 | 0 | 0.73 | 0.02 | 0.8 | 0.01 | 0.67 | 0.03 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
○Loop 15872 - vec.h:141-345 - libgromacs.so.8 [...] | | 0.06 | 0.08 | 0.07 | 0.08 | 0.05 | 0.03 | 0.03 | 0.01 | 0.16 | 0.13 | 0.05 | 0.05 | 0.02 | 0.01 | 0.01 | 0.01 | 0.16 | 0.11 | 0.05 | 0.03 | 0.01 | 0 | 0 | 0 | 1 | 2 | 4 | 8 | 14 | 18 | 28 | 30 | 0.00 | 0.02 | 0.01 | 0.03 | 0.03 | 0.02 | 0.03 | 0.01 | 0.00 | 0.03 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 0.00 | | | | | | | | | | 1 | 0 | 0.73 | 0.02 | 0.8 | 0.01 | 0.67 | 0.03 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
○Loop 15871 - vec.h:141-345 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○gmx_fft_1d(gmx_fft*, gmx_fft_direction, void*, void*) | libgromacs.so.8 | 0.06 | 0.06 | 0.06 | 0.06 | 0.06 | 0.04 | 0.02 | 0.01 | 0.15 | 0.1 | 0.05 | 0.05 | 0.02 | 0.02 | 0.01 | 0.01 | 0.15 | 0.09 | 0.04 | 0.02 | 0.01 | 0.01 | 0 | 0 | 1 | 2 | 4 | 8 | 15 | 21 | 24 | 26 | 0.00 | 0.02 | 0.01 | 0.03 | 0.03 | 0.03 | 0.03 | 0.01 | 0.00 | 0.02 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 0.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I... | 1 | 0 | 0.83 | 0.01 | 0.94 | 0 | 0.94 | 0 | 0.94 | 0 | 0.47 | 0.02 | 1 | 0 | 1 | 0 |
►atoms2md(gmx_mtop_t const&, t_inputrec const&, int, gmx::ArrayRef<int>, int, gmx::MDAtoms*) [clone .extracted]+ | libgromacs.so.8 | 0.06 | 0.05 | 0.05 | 0.04 | 0.04 | 0.04 | 0.02 | 0.02 | 0.16 | 0.08 | 0.05 | 0.02 | 0.02 | 0.01 | 0.01 | 0.01 | 0.16 | 0.08 | 0.04 | 0.02 | 0.01 | 0.01 | 0 | 0 | 1 | 2 | 4 | 8 | 13 | 24 | 25 | 60 | 0.00 | 0.01 | 0.02 | 0.01 | 0.03 | 0.02 | 0.02 | 0.02 | 0.00 | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 0.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I... | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 0.5 | 0.02 | 1 | 0 | 1 | 0 |
►Loop 14272 - mdatoms.cpp:266-437 - libgromacs.so.8 [...]+ | | 0.06 | 0.05 | 0.05 | 0.04 | 0.04 | 0.04 | 0.02 | 0.02 | 0.15 | 0.07 | 0.04 | 0.02 | 0.02 | 0.01 | 0.01 | 0.01 | 0.15 | 0.07 | 0.04 | 0.02 | 0.01 | 0.01 | 0 | 0 | 1 | 2 | 4 | 8 | 13 | 24 | 25 | 60 | 0.00 | 0.01 | 0.01 | 0.01 | 0.03 | 0.02 | 0.02 | 0.02 | 0.00 | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 0.00 | | | | | | | | | | 1 | 0 | 1.07 | -0 | 0.94 | 0 | 0.94 | 0 | 0.94 | 0 | 0.47 | 0.02 | 1 | 0 | 1 | 0 |
○Loop 14271 - mtop_lookup.h:93-106 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 2 | 1 | 0 | 3 | 1 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○mkl_serv_verbose_mode | libmkl_core.so | 0.06 | 0.09 | 0.06 | 0.06 | 0.05 | 0.06 | 0.03 | 0.01 | 0.16 | 0.14 | 0.06 | 0.04 | 0.01 | 0.02 | 0.01 | 0.04 | 0.16 | 0.13 | 0.04 | 0.02 | 0.01 | 0.01 | 0 | 0 | 1 | 2 | 4 | 8 | 16 | 25 | 33 | 34 | 0.00 | 0.02 | 0.02 | 0.03 | 0.02 | 0.04 | 0.02 | 0.05 | 0.00 | 0.03 | 0.01 | 0.01 | 0.00 | 0.01 | 0.00 | 0.01 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | | 1 | 0 | 0.62 | 0.03 | 1 | 0 | 1 | 0 | 1 | 0 | 0.5 | 0.03 | 1 | 0 | 1 | 0 |
○compute_1d_small_bwd | libmkl_avx2.so | 0.06 | 0.05 | 0.07 | 0.05 | 0.05 | 0.04 | 0.02 | 0.01 | 0.16 | 0.07 | 0.07 | 0.04 | 0.02 | 0.02 | 0.01 | 0.01 | 0.16 | 0.07 | 0.05 | 0.02 | 0.01 | 0.01 | 0 | 0 | 1 | 2 | 4 | 8 | 16 | 22 | 22 | 34 | 0.00 | 0.01 | 0.02 | 0.03 | 0.02 | 0.04 | 0.03 | 0.02 | 0.00 | 0.01 | 0.02 | 0.01 | 0.01 | 0.00 | 0.00 | 0.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | | 1 | 0 | 1.14 | 0 | 0.8 | 0.01 | 1 | 0 | 1 | 0 | 0.5 | 0.02 | 1 | 0 | 1 | 0 |
○compute_1d_small_fwd | libmkl_avx2.so | 0.05 | 0.06 | 0.03 | 0.04 | 0.03 | 0.04 | 0.02 | 0.02 | 0.13 | 0.09 | 0.04 | 0.03 | 0.03 | 0.02 | 0.01 | 0.01 | 0.13 | 0.08 | 0.03 | 0.02 | 0.01 | 0 | 0 | 0 | 1 | 2 | 4 | 8 | 13 | 21 | 21 | 39 | 0.00 | 0.01 | 0.01 | 0.02 | 0.03 | 0.03 | 0.01 | 0.02 | 0.00 | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 0.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | | 1 | 0 | 0.81 | 0.01 | 1.08 | -0 | 0.81 | 0.01 | 0.81 | 0.01 | 1 | 0 | 1 | 0 | 1 | 0 |
○mkl_dft_avx2_ippsDFTInv_CToC_32fc | libmkl_avx2.so | 0.05 | 0.04 | 0.04 | 0.03 | 0.03 | 0.02 | 0.02 | 0.01 | 0.13 | 0.05 | 0.04 | 0.03 | 0.02 | 0.01 | 0.01 | 0 | 0.13 | 0.05 | 0.03 | 0.01 | 0.01 | 0 | 0 | 0 | 1 | 2 | 4 | 7 | 13 | 14 | 17 | 21 | 0.00 | 0.00 | 0.01 | 0.02 | 0.02 | 0.02 | 0.02 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | | 1 | 0 | 1.3 | 0 | 1.08 | -0 | 1.63 | 0 | 0.81 | 0.01 | 1 | 0 | 1 | 0 | 1 | 0 |
○__libm_acosf_l9 | gmx | 0.04 | 0.04 | 0.04 | 0.03 | 0.04 | 0.03 | 0.02 | 0.01 | 0.11 | 0.06 | 0.04 | 0.02 | 0.02 | 0.02 | 0.01 | 0 | 0.11 | 0.06 | 0.03 | 0.01 | 0.01 | 0 | 0 | 0 | 1 | 2 | 4 | 8 | 13 | 15 | 16 | 18 | 0.00 | 0.01 | 0.01 | 0.02 | 0.02 | 0.03 | 0.03 | 0.00 | 0.00 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | | 1 | 0 | 0.92 | 0 | 0.92 | 0 | 1.38 | 0 | 0.69 | 0.01 | 1 | 0 | 1 | 0 | 1 | 0 |
○__GI___printf_fp_l | libc-2.28.so | 0.04 | 0.03 | 0.03 | 0.02 | 0.03 | 0.02 | 0.02 | 0.01 | 0.1 | 0.08 | 0.08 | 0.07 | 0.1 | 0.08 | 0.11 | 0.09 | 0.1 | 0.04 | 0.02 | 0.01 | 0.01 | 0 | 0 | 0 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | IO (%): 100.00 | IO (%): 100.00 | IO (%): 100.00 | IO (%): 100.00 | IO (%): 100.00 | IO (%): 100.00 | IO (%): 100.00 | IO (%): 100.00 | | 1 | 0 | 1.25 | 0 | 1.25 | 0 | 1.25 | 0 | 0.63 | 0.01 | 1 | 0 | 1 | 0 | 1 | 0 |
►void make_exclusions_zone<true>(gmx::ArrayRef<int const>, gmx_ga2la_t const&, gmx_domdec_zones_t const&, gmx::ArrayRef<MolblockIndices const>, std::vector<gmx_moltype_t, std::allocator<gmx_moltype_t> > const&, gmx:...+ | libgromacs.so.8 | 0.04 | 0.03 | 0.04 | 0.04 | 0.04 | 0.08 | 0.05 | 0.02 | 0.12 | 0.05 | 0.04 | 0.03 | 0.02 | 0.03 | 0.02 | 0.02 | 0.12 | 0.05 | 0.03 | 0.02 | 0.01 | 0.01 | 0.01 | 0 | 1 | 2 | 4 | 8 | 13 | 26 | 42 | 60 | 0.00 | 0.00 | 0.01 | 0.02 | 0.03 | 0.05 | 0.05 | 0.03 | 0.00 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I... | 1 | 0 | 1.2 | 0 | 1 | 0 | 0.75 | 0.01 | 0.75 | 0.01 | 0.38 | 0.05 | 0.19 | 0.04 | 1 | 0 |
►Loop 4115 - localtopology.cpp:738-788 - libgromacs.so.8 [...]+ | | 0.01 | 0.01 | 0.02 | 0.02 | 0.01 | 0.01 | 0 | 0 | 0.04 | 0.02 | 0.02 | 0.02 | 0.01 | 0.01 | 0 | 0 | 0.04 | 0.02 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 1 | 2 | 4 | 4 | 6 | 9 | 6 | 13 | 0.00 | 0.01 | 0.01 | 0.01 | 0.01 | 0.02 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | 1 | 0 | 1 | 0 | 1 | 0 | 0.5 | 0.01 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
►Loop 4119 - stl_vector.h:346-1762 - libgromacs.so.8 [...]+ | | 0.03 | 0.02 | 0.03 | 0.02 | 0.03 | 0.06 | 0.05 | 0.02 | 0.08 | 0.03 | 0.02 | 0.03 | 0.02 | 0.02 | 0.02 | 0.02 | 0.08 | 0.03 | 0.02 | 0.01 | 0.01 | 0.01 | 0 | 0 | 1 | 2 | 4 | 7 | 12 | 24 | 38 | 53 | 0.00 | 0.00 | 0.01 | 0.02 | 0.02 | 0.04 | 0.05 | 0.02 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | 1 | 0 | 1.33 | 0 | 1 | 0 | 1 | 0 | 0.5 | 0.01 | 0.25 | 0.04 | 1 | 0 | 1 | 0 |
○Loop 4120 - hashedmap.h:277-281 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 4118 - stl_algobase.h:2067-2081 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 4116 - stl_vector.h:346-1762 - libgromacs.so.8 [...]+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 4117 - hashedmap.h:277-282 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 4114 - stl_vector.h:353-353 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○__libm_expf_l9 | gmx | 0.04 | 0.03 | 0.03 | 0.04 | 0.04 | 0.02 | 0.02 | 0.01 | 0.11 | 0.09 | 0.09 | 0.13 | 0.13 | 0.08 | 0.14 | 0.13 | 0.11 | 0.05 | 0.02 | 0.02 | 0.01 | 0 | 0 | 0 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | | 1 | 0 | 1.1 | -0 | 1.38 | 0 | 0.69 | 0.01 | 0.69 | 0.01 | 1 | 0 | 1 | 0 | 1 | 0 |
○mkl_dft_avx2_ippsDFTFwd_CToC_32fc | libmkl_avx2.so | 0.04 | 0.06 | 0.05 | 0.05 | 0.04 | 0.02 | 0.02 | 0.01 | 0.11 | 0.1 | 0.04 | 0.03 | 0.02 | 0.01 | 0.01 | 0.01 | 0.11 | 0.09 | 0.03 | 0.02 | 0.01 | 0 | 0 | 0 | 1 | 2 | 4 | 8 | 14 | 12 | 22 | 27 | 0.00 | 0.01 | 0.01 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.00 | 0.01 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | | 1 | 0 | 0.61 | 0.02 | 0.92 | 0 | 0.69 | 0.02 | 0.69 | 0.01 | 1 | 0 | 1 | 0 | 1 | 0 |
○__libm_exp_l9 | gmx | 0.04 | 0.04 | 0.06 | 0.05 | 0.04 | 0.03 | 0.02 | 0.01 | 0.11 | 0.13 | 0.16 | 0.16 | 0.14 | 0.14 | 0.13 | 0.13 | 0.11 | 0.06 | 0.04 | 0.02 | 0.01 | 0 | 0 | 0 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | | 1 | 0 | 0.92 | 0 | 0.69 | 0.02 | 0.69 | 0.02 | 0.69 | 0.01 | 1 | 0 | 1 | 0 | 1 | 0 |
○mkl_dft_avx2_ippsFFTFwd_RToPerm_32f | libmkl_avx2.so | 0.04 | 0.05 | 0.05 | 0.04 | 0.04 | 0.03 | 0.05 | 0.08 | 0.1 | 0.07 | 0.05 | 0.04 | 0.03 | 0.02 | 0.02 | 0.04 | 0.11 | 0.07 | 0.04 | 0.02 | 0.01 | 0 | 0 | 0.01 | 1 | 2 | 4 | 7 | 14 | 16 | 40 | 100 | 0.00 | 0.01 | 0.01 | 0.03 | 0.03 | 0.03 | 0.04 | 0.07 | 0.00 | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 0.01 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | | 1 | 0 | 0.79 | 0.01 | 0.69 | 0.02 | 0.69 | 0.01 | 0.69 | 0.01 | 1 | 0 | 1 | 0 | 0.09 | 0.07 |
○compute_1d_small_bwd | libmkl_avx2.so | 0.04 | 0.04 | 0.04 | 0.02 | 0.02 | 0.03 | 0.02 | 0.01 | 0.11 | 0.05 | 0.04 | 0.02 | 0.01 | 0.01 | 0.01 | 0.01 | 0.11 | 0.05 | 0.03 | 0.01 | 0 | 0 | 0 | 0 | 1 | 2 | 4 | 7 | 11 | 15 | 17 | 16 | 0.00 | 0.00 | 0.02 | 0.01 | 0.01 | 0.02 | 0.02 | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | | 1 | 0 | 1.1 | -0 | 0.92 | 0 | 1.38 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
►unwrap_periodic_pmegrid(gmx_pme_t*, float*) [clone .extracted]+ | libgromacs.so.8 | 0.04 | 0.06 | 0.08 | 0.07 | 0.06 | 0.08 | 0.22 | 0.22 | 0.11 | 0.1 | 0.08 | 0.04 | 0.03 | 0.02 | 0.05 | 0.11 | 0.11 | 0.09 | 0.06 | 0.03 | 0.01 | 0.01 | 0.02 | 0.03 | 1 | 2 | 4 | 8 | 16 | 30 | 55 | 92 | 0.00 | 0.01 | 0.03 | 0.03 | 0.03 | 0.04 | 0.13 | 0.18 | 0.00 | 0.02 | 0.02 | 0.01 | 0.01 | 0.01 | 0.01 | 0.02 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I... | 1 | 0 | 0.61 | 0.02 | 0.46 | 0.04 | 0.46 | 0.04 | 0.69 | 0.02 | 0.34 | 0.05 | 0.09 | 0.2 | 0.03 | 0.21 |
►Loop 16083 - pme_grid.cpp:529-539 - libgromacs.so.8+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 16084 - pme_grid.cpp:535-539 - libgromacs.so.8+ | | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 1 | 2 | 2 | 2 | 2 | 3 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 16085 - pme_grid.cpp:537-539 - libgromacs.so.8 | | 0.04 | 0.06 | 0.08 | 0.07 | 0.05 | 0.08 | 0.22 | 0.22 | 0.1 | 0.09 | 0.08 | 0.04 | 0.03 | 0.02 | 0.05 | 0.1 | 0.11 | 0.08 | 0.06 | 0.03 | 0.01 | 0.01 | 0.02 | 0.03 | 1 | 2 | 4 | 8 | 15 | 30 | 55 | 91 | 0.00 | 0.02 | 0.03 | 0.03 | 0.03 | 0.04 | 0.13 | 0.18 | 0.00 | 0.02 | 0.02 | 0.01 | 0.01 | 0.01 | 0.01 | 0.02 | | | | | | | | | | 1 | 0 | 0.69 | 0.02 | 0.46 | 0.04 | 0.46 | 0.04 | 0.69 | 0.02 | 0.34 | 0.05 | 0.09 | 0.2 | 0.03 | 0.21 |
○Loop 16086 - pme_grid.cpp:537-539 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►dd_make_local_constraints(gmx_domdec_t*, int, gmx_mtop_t const&, gmx::ArrayRef<long const>, gmx::Constraints*, int, gmx::ArrayRef<InteractionList>) [clone .extracted]+ | libgromacs.so.8 | 0.04 | 0.05 | 0.05 | 0.04 | 0.04 | 0.05 | 0.04 | 0.01 | 0.1 | 0.13 | 0.06 | 0.03 | 0.03 | 0.01 | 0.01 | 0.01 | 0.1 | 0.07 | 0.04 | 0.02 | 0.01 | 0.01 | 0 | 0 | 1 | 1 | 3 | 7 | 14 | 26 | 38 | 27 | 0.00 | 0.00 | 0.03 | 0.01 | 0.04 | 0.03 | 0.03 | 0.01 | 0.00 | 0.00 | 0.02 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I... | 1 | 0 | 0.71 | 0.01 | 0.63 | 0.02 | 0.63 | 0.01 | 0.63 | 0.01 | 0.31 | 0.03 | 1 | 0 | 1 | 0 |
►Loop 3964 - domdec_constraints.cpp:203-452 - libgromacs.so.8 [...]+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 3965 - stl_vector.h:346-1798 - libgromacs.so.8 [...]+ | | 0.01 | 0.03 | 0.03 | 0.02 | 0.02 | 0.03 | 0.03 | 0 | 0.04 | 0.07 | 0.04 | 0.02 | 0.02 | 0.01 | 0.01 | 0.01 | 0.04 | 0.04 | 0.02 | 0.01 | 0.01 | 0 | 0 | 0 | 1 | 1 | 3 | 6 | 10 | 19 | 27 | 12 | 0.00 | 0.00 | 0.02 | 0.01 | 0.02 | 0.01 | 0.02 | 0.01 | 0.00 | 0.00 | 0.02 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | 1 | 0 | 0.5 | 0.01 | 0.5 | 0.01 | 0.5 | 0.01 | 0.25 | 0.01 | 1 | 0 | 1 | 0 | 1 | 0 |
►Loop 3969 - ga2la.h:112-126 - libgromacs.so.8 [...]+ | | 0.02 | 0.02 | 0.02 | 0.01 | 0.02 | 0.02 | 0.01 | 0 | 0.06 | 0.05 | 0.03 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.06 | 0.03 | 0.01 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 3 | 6 | 9 | 14 | 14 | 13 | 0.00 | 0.00 | 0.02 | 0.01 | 0.02 | 0.02 | 0.01 | 0.01 | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | 1 | 0 | 1 | 0 | 1.5 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
○Loop 3970 - hashedmap.h:277-282 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 3967 - ga2la.h:112-126 - libgromacs.so.8 [...]+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 2 | 2 | 1 | 2 | 3 | 1 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 3968 - hashedmap.h:277-282 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 3966 - mtop_lookup.h:93-106 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 2 | 0 | 1 | 2 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Nbnxm::sort_atoms(int, bool, int, bool, int*, int, gmx::ArrayRef<gmx::BasicVector<float> const>, float, float, int, gmx::ArrayRef<int>)+ | libgromacs.so.8 | 0.04 | 0.04 | 0.03 | 0.02 | 0.01 | 0.03 | 0.01 | 0.01 | 0.11 | 0.06 | 0.04 | 0.02 | 0.01 | 0.01 | 0.01 | 0.01 | 0.11 | 0.05 | 0.02 | 0.01 | 0 | 0 | 0 | 0 | 1 | 2 | 3 | 5 | 7 | 15 | 11 | 28 | 0.00 | 0.01 | 0.01 | 0.02 | 0.01 | 0.02 | 0.03 | 0.02 | 0.00 | 0.02 | 0.01 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I... | 1 | 0 | 1.1 | -0 | 1.38 | 0 | 1.38 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
○Loop 2014 - grid.cpp:415-420 - libgromacs.so.8 | | 0.02 | 0.02 | 0.02 | 0.02 | 0.01 | 0.01 | 0.01 | 0 | 0.07 | 0.04 | 0.03 | 0.02 | 0 | 0.01 | 0.01 | 0.01 | 0.07 | 0.03 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 1 | 2 | 3 | 4 | 7 | 9 | 7 | 6 | 0.00 | 0.01 | 0.01 | 0.01 | 0.00 | 0.01 | 0.02 | 0.02 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | 1 | 0 | 1.17 | -0 | 1.75 | 0 | 0.88 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
►Loop 2017 - grid.cpp:329-407 - libgromacs.so.8 [...]+ | | 0.02 | 0.01 | 0.01 | 0 | 0 | 0.01 | 0.01 | 0.01 | 0.05 | 0.02 | 0.01 | 0.01 | 0 | 0.01 | 0.01 | 0.01 | 0.04 | 0.02 | 0.01 | 0 | 0 | 0 | 0 | 0 | 1 | 2 | 2 | 2 | 1 | 7 | 6 | 22 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.02 | 0.02 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
○Loop 2019 - grid.cpp:397-400 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 2018 - grid.cpp:385-387 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 3 | 0 | 1 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 2013 - grid.cpp:415-420 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 2015 - grid.cpp:426-431 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 2016 - grid.cpp:426-431 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►std::enable_if<((BondedKernelFlavor)0)==((BondedKernelFlavor)0), float>::type (anonymous namespace)::rbdihs<(BondedKernelFlavor)0>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, float, float*...+ | libgromacs.so.8 | 0.03 | 0.02 | 0.04 | 0.02 | 0.03 | 0.02 | 0.01 | 0.01 | 0.09 | 0.04 | 0.04 | 0.04 | 0.03 | 0.03 | 0.01 | 0.01 | 0.09 | 0.04 | 0.03 | 0.01 | 0.01 | 0 | 0 | 0 | 1 | 2 | 4 | 4 | 8 | 10 | 12 | 21 | 0.00 | 0.01 | 0.01 | 0.05 | 0.04 | 0.06 | 0.03 | 0.01 | 0.00 | 0.01 | 0.01 | 0.02 | 0.01 | 0.01 | 0.00 | 0.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I... | 1 | 0 | 1.13 | -0 | 0.75 | 0.01 | 1.13 | -0 | 0.56 | 0.01 | 1 | 0 | 1 | 0 | 1 | 0 |
○Loop 15651 - bonded.cpp:2179-2256 - libgromacs.so.8 [...] | | 0.03 | 0.02 | 0.04 | 0.02 | 0.03 | 0.02 | 0.01 | 0.01 | 0.09 | 0.04 | 0.04 | 0.04 | 0.03 | 0.03 | 0.01 | 0.01 | 0.09 | 0.04 | 0.03 | 0.01 | 0.01 | 0 | 0 | 0 | 1 | 2 | 4 | 4 | 8 | 10 | 12 | 20 | 0.00 | 0.01 | 0.01 | 0.05 | 0.04 | 0.06 | 0.03 | 0.01 | 0.00 | 0.01 | 0.01 | 0.02 | 0.01 | 0.01 | 0.00 | 0.00 | | | | | | | | | | 1 | 0 | 1.13 | -0 | 0.75 | 0.01 | 1.13 | -0 | 0.56 | 0.01 | 1 | 0 | 1 | 0 | 1 | 0 |
►Nbnxm::Grid::fillCell(Nbnxm::GridSetData*, nbnxn_atomdata_t*, int, int, gmx::ArrayRef<long const>, gmx::ArrayRef<gmx::BasicVector<float> const>, Nbnxm::BoundingBox*)+ | libgromacs.so.8 | 0.03 | 0.02 | 0.02 | 0.03 | 0.01 | 0.02 | 0.01 | 0.01 | 0.08 | 0.03 | 0.04 | 0.02 | 0 | 0.01 | 0.01 | 0.01 | 0.08 | 0.04 | 0.02 | 0.01 | 0 | 0 | 0 | 0 | 1 | 2 | 3 | 6 | 5 | 14 | 13 | 36 | 0.00 | 0.00 | 0.03 | 0.01 | 0.00 | 0.02 | 0.03 | 0.02 | 0.00 | 0.00 | 0.02 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I... | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
○Loop 1993 - grid.cpp:598-605 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 1990 - grid.cpp:531-536 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 2001 - grid.cpp:921-923 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 1997 - grid.cpp:476-483 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 1998 - grid.cpp:504-511 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 1999 - grid.cpp:504-511 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 1991 - grid.cpp:531-536 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 1 | 0 | 1 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 1992 - grid.cpp:598-605 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 2002 - grid.cpp:911-915 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 2003 - grid.cpp:911-915 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 2005 - grid.cpp:816-889 - libgromacs.so.8 [...]+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 1 | 1 | 3 | 0 | 2 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 2008 - grid.cpp:823-834 - libgromacs.so.8 | | 0.02 | 0.02 | 0.01 | 0.02 | 0 | 0.02 | 0.01 | 0.01 | 0.05 | 0.03 | 0.01 | 0.02 | 0 | 0.01 | 0.01 | 0.01 | 0.05 | 0.02 | 0 | 0.01 | 0 | 0 | 0 | 0 | 1 | 2 | 1 | 6 | 1 | 11 | 11 | 19 | 0.00 | 0.01 | 0.00 | 0.01 | 0.00 | 0.02 | 0.02 | 0.01 | 0.00 | 0.01 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | 1 | 0 | 1.25 | 0 | 1 | 0 | 0.63 | 0.01 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
○Loop 2006 - grid.cpp:855-857 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 2007 - grid.cpp:855-857 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 1996 - grid.cpp:476-483 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 1994 - grid.cpp:633-633 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 1995 - grid.cpp:633-633 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 2004 - grid.cpp:911-915 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 2000 - grid.cpp:921-923 - libgromacs.so.8 | | 0 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 2 | 1 | 0 | 0 | 2 | 5 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○mkl_dft_avx2_ippsDFTFwd_RToCCS_32f | libmkl_avx2.so | 0.03 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.01 | 0.01 | 0.07 | 0.04 | 0.02 | 0.02 | 0.01 | 0.01 | 0.01 | 0.01 | 0.07 | 0.03 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 1 | 2 | 4 | 7 | 8 | 12 | 13 | 19 | 0.00 | 0.02 | 0.01 | 0.01 | 0.02 | 0.02 | 0.02 | 0.01 | 0.00 | 0.02 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | | 1 | 0 | 1.17 | -0 | 1.75 | 0 | 0.88 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
○mkl_dft_avx2_ippsDFTInv_CCSToR_32f | libmkl_avx2.so | 0.03 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.01 | 0 | 0.09 | 0.03 | 0.02 | 0.02 | 0.01 | 0.01 | 0 | 0.01 | 0.09 | 0.02 | 0.02 | 0.01 | 0 | 0 | 0 | 0 | 1 | 2 | 4 | 6 | 8 | 15 | 10 | 8 | 0.00 | 0.01 | 0.01 | 0.01 | 0.01 | 0.02 | 0.00 | 0.01 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | | 1 | 0 | 2.25 | 0 | 1.13 | -0 | 1.13 | -0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
○mkl_dft_avx2_ippsDFTFwd_RToCCS_32f@plt | libmkl_avx2.so | 0.03 | 0.02 | 0.02 | 0.03 | 0.02 | 0.07 | 0.16 | 0.29 | 0.09 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.03 | 0.1 | 0.09 | 0.02 | 0.02 | 0.01 | 0.01 | 0.01 | 0.02 | 0.04 | 1 | 2 | 4 | 8 | 11 | 27 | 62 | 125 | 0.00 | 0.00 | 0.01 | 0.02 | 0.02 | 0.04 | 0.08 | 0.15 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.01 | 0.01 | 0.02 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | | 1 | 0 | 2.25 | 0 | 1.13 | -0 | 1.13 | -0 | 0.56 | 0.01 | 0.28 | 0.05 | 0.07 | 0.15 | 0.02 | 0.28 |
○std::vector<int, std::allocator<int> >::_M_default_append(unsigned long) | libgromacs.so.8 | 0.03 | 0.03 | 0.02 | 0.02 | 0.02 | 0.01 | 0.01 | 0 | 0.07 | 0.05 | 0.02 | 0.02 | 0.01 | 0.01 | 0.01 | 0.01 | 0.07 | 0.05 | 0.01 | 0.01 | 0.01 | 0 | 0 | 0 | 1 | 2 | 4 | 4 | 10 | 11 | 6 | 8 | 0.00 | 0.01 | 0.01 | 0.02 | 0.01 | 0.01 | 0.02 | 0.03 | 0.00 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I... | 1 | 0 | 0.7 | 0.01 | 1.75 | 0 | 0.88 | 0 | 0.44 | 0.01 | 1 | 0 | 1 | 0 | 1 | 0 |
○Unknown function | libgromacs.so.8 | 0.03 | 0.06 | 0.08 | 0.08 | 0.05 | 0.06 | 0.08 | 0.18 | 0.08 | 0.11 | 0.06 | 0.06 | 0.03 | 0.02 | 0.03 | 0.06 | 0.08 | 0.09 | 0.06 | 0.03 | 0.01 | 0.01 | 0.01 | 0.02 | 1 | 2 | 4 | 8 | 15 | 24 | 54 | 124 | 0.00 | 0.02 | 0.00 | 0.04 | 0.03 | 0.04 | 0.05 | 0.11 | 0.00 | 0.03 | 0.00 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | | 1 | 0 | 0.44 | 0.03 | 0.33 | 0.05 | 0.33 | 0.05 | 0.5 | 0.03 | 0.25 | 0.04 | 0.13 | 0.07 | 0.03 | 0.17 |
►dd_redistribute_cg(_IO_FILE*, long, gmx_domdec_t*, int*, t_state*, t_forcerec*, t_nrnb*, int*) [clone .extracted]+ | libgromacs.so.8 | 0.03 | 0.02 | 0.04 | 0.02 | 0.03 | 0.02 | 0.01 | 0.01 | 0.08 | 0.03 | 0.04 | 0.01 | 0.02 | 0.01 | 0.01 | 0.01 | 0.07 | 0.03 | 0.03 | 0.01 | 0.01 | 0 | 0 | 0 | 1 | 2 | 4 | 7 | 10 | 13 | 14 | 26 | 0.00 | 0.00 | 0.02 | 0.01 | 0.02 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I... | 1 | 0 | 1.17 | -0 | 0.58 | 0.02 | 0.88 | 0 | 0.44 | 0.02 | 1 | 0 | 1 | 0 | 1 | 0 |
►Loop 4397 - redistribute.cpp:74-428 - libgromacs.so.8 [...]+ | | 0.01 | 0 | 0.01 | 0 | 0.01 | 0.01 | 0 | 0 | 0.03 | 0.01 | 0.01 | 0 | 0.01 | 0 | 0 | 0 | 0.03 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 3 | 1 | 6 | 6 | 3 | 3 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 4399 - vec.h:141-198 - libgromacs.so.8 [...]+ | | 0.02 | 0.02 | 0.03 | 0.02 | 0.02 | 0.01 | 0.01 | 0.01 | 0.04 | 0.03 | 0.04 | 0.01 | 0.02 | 0.01 | 0.01 | 0.01 | 0.04 | 0.03 | 0.02 | 0.01 | 0 | 0 | 0 | 0 | 1 | 2 | 4 | 7 | 9 | 9 | 11 | 23 | 0.00 | 0.00 | 0.01 | 0.01 | 0.02 | 0.00 | 0.02 | 0.01 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | 1 | 0 | 0.67 | 0.01 | 0.5 | 0.01 | 0.5 | 0.01 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
○Loop 4401 - redistribute.cpp:414-414 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 4402 - redistribute.cpp:358-360 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 4400 - redistribute.cpp:419-419 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 4398 - redistribute.cpp:74-306 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 4404 - redistribute.cpp:74-532 - libgromacs.so.8 [...]+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 4405 - redistribute.cpp:74-306 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 4406 - vec.h:141-199 - libgromacs.so.8 [...]+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 4409 - redistribute.cpp:481-483 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 4407 - redistribute.cpp:521-521 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 4408 - redistribute.cpp:517-517 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 4403 - redistribute.cpp:543-548 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►calc_vir(int, float const (*) [3], float const (*) [3], float (*) [3], bool, float const (*) [3])+ | libgromacs.so.8 | 0.03 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.08 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.08 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | libgromacs.so.8 (%): 100.00 | NA | NA | NA | NA | NA | NA | NA | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I... | | | | | | | | | | | | | | | | |
○Loop 13612 - calcvir.cpp:61-67 - libgromacs.so.8 [...] | | 0.03 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.08 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.08 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 13613 - calcvir.cpp:61-81 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 13614 - calcvir.cpp:123-123 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►gmx::ListOfLists<int>::pushBack(gmx::ArrayRef<int const>)+ | libgromacs.so.8 | 0.02 | 0.02 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0 | 0.07 | 0.02 | 0.01 | 0.02 | 0.01 | 0.01 | 0 | 0 | 0.07 | 0.03 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 1 | 2 | 2 | 5 | 3 | 9 | 9 | 5 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I... | 1 | 0 | 1.17 | -0 | 1.75 | 0 | 0.88 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
►Loop 4149 - vector.tcc:112-112 - libgromacs.so.8 [...]+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 1 | 1 | 1 | 4 | 1 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 4150 - stl_algobase.h:383-385 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 4155 - stl_algobase.h:383-385 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 4157 - stl_algobase.h:383-385 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 4152 - stl_algobase.h:383-385 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 4153 - stl_algobase.h:383-385 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 4151 - stl_algobase.h:383-385 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 4156 - stl_algobase.h:383-385 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 4154 - stl_algobase.h:383-385 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 4158 - stl_algobase.h:383-385 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►std::enable_if<(((BondedKernelFlavor)2)!=((BondedKernelFlavor)0))||(!(1)), float>::type (anonymous namespace)::rbdihs<(BondedKernelFlavor)2>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, flo...+ | libgromacs.so.8 | 0.02 | 0.01 | 0.01 | 0.01 | 0.01 | 0 | 0.01 | 0 | 0.05 | 0.01 | 0.02 | 0.02 | 0.02 | 0.01 | 0 | 0.01 | 0.04 | 0.02 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 1 | 2 | 3 | 4 | 4 | 3 | 7 | 5 | 0.00 | 0.00 | 0.01 | 0.02 | 0.03 | 0.02 | 0.00 | 0.02 | 0.00 | 0.00 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 0.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I... | 1 | 0 | 1 | 0 | 1 | 0 | 0.5 | 0.01 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
○Loop 15707 - bonded.cpp:2960-3032 - libgromacs.so.8 [...] | | 0.02 | 0.01 | 0.01 | 0.01 | 0.01 | 0 | 0.01 | 0 | 0.05 | 0.01 | 0.02 | 0.02 | 0.02 | 0.01 | 0 | 0.01 | 0.04 | 0.02 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 1 | 2 | 3 | 4 | 4 | 3 | 7 | 5 | 0.00 | 0.00 | 0.01 | 0.02 | 0.03 | 0.02 | 0.00 | 0.02 | 0.00 | 0.00 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 0.00 | | | | | | | | | | 1 | 0 | 1 | 0 | 1 | 0 | 0.5 | 0.01 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
►calcVerletBufferSize(gmx_mtop_t const&, float, t_inputrec const&, int, int, float, VerletbufListSetup const&)+ | libgromacs.so.8 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.01 | 0 | 0.06 | 0.06 | 0.07 | 0.06 | 0.09 | 0.07 | 0.03 | 0.01 | 0.05 | 0.03 | 0.02 | 0.01 | 0.01 | 0 | 0 | 0 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I... | 1 | 0 | 0.83 | 0 | 0.63 | 0.01 | 0.63 | 0.01 | 0.31 | 0.01 | 1 | 0 | 1 | 0 | 1 | 0 |
○Loop 13567 - calc_verletbuf.cpp:828-830 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 13566 - calc_verletbuf.cpp:828-830 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 13562 - calc_verletbuf.cpp:483-1184 - libgromacs.so.8 [...]+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 13563 - calc_verletbuf.cpp:483-723 - libgromacs.so.8 [...]+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 13564 - calc_verletbuf.cpp:483-723 - libgromacs.so.8 [...] | | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.01 | 0 | 0.06 | 0.06 | 0.07 | 0.06 | 0.09 | 0.07 | 0.03 | 0.01 | 0.05 | 0.03 | 0.02 | 0.01 | 0.01 | 0 | 0 | 0 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | 1 | 0 | 0.83 | 0 | 0.63 | 0.01 | 0.63 | 0.01 | 0.31 | 0.01 | 1 | 0 | 1 | 0 | 1 | 0 |
○Loop 13565 - calc_verletbuf.cpp:852-854 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○gmx_fft_1d_real(gmx_fft*, gmx_fft_direction, void*, void*) | libgromacs.so.8 | 0.02 | 0.02 | 0.02 | 0.03 | 0.01 | 0.02 | 0.01 | 0.01 | 0.05 | 0.05 | 0.03 | 0.02 | 0.01 | 0.02 | 0.01 | 0 | 0.05 | 0.03 | 0.02 | 0.01 | 0 | 0 | 0 | 0 | 1 | 2 | 4 | 8 | 6 | 13 | 10 | 19 | 0.00 | 0.02 | 0.02 | 0.01 | 0.01 | 0.03 | 0.02 | 0.00 | 0.00 | 0.03 | 0.01 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I... | 1 | 0 | 0.83 | 0 | 0.63 | 0.01 | 0.63 | 0.01 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
○_intel_fast_memcpy | gmx | 0.02 | 0.01 | 0.03 | 0.02 | 0.02 | 0.01 | 0.01 | 0.01 | 0.05 | 0.01 | 0.03 | 0.02 | 0.01 | 0.01 | 0.01 | 0.01 | 0.04 | 0.01 | 0.02 | 0.01 | 0 | 0 | 0 | 0 | 1 | 2 | 4 | 6 | 9 | 10 | 11 | 24 | 0.00 | 0.00 | 0.01 | 0.01 | 0.01 | 0.01 | 0.02 | 0.02 | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | Memory (%): 100.00 | Memory (%): 100.00 | Memory (%): 100.00 | Memory (%): 100.00 | Memory (%): 100.00 | Memory (%): 100.00 | Memory (%): 100.00 | Memory (%): 100.00 | | 1 | 0 | 2 | 0 | 0.5 | 0.01 | 0.5 | 0.01 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
►sum_forces(gmx::ArrayRef<gmx::BasicVector<float> >, gmx::ArrayRef<gmx::BasicVector<float> const>) [clone .extracted]+ | libgromacs.so.8 | 0.02 | 0.01 | 0.02 | 0.01 | 0.02 | 0.03 | 0.02 | 0.02 | 0.06 | 0.02 | 0.02 | 0.01 | 0.01 | 0.01 | 0.02 | 0.02 | 0.06 | 0.02 | 0.01 | 0.01 | 0.01 | 0 | 0 | 0 | 1 | 2 | 4 | 6 | 12 | 20 | 22 | 53 | 0.00 | 0.01 | 0.00 | 0.01 | 0.01 | 0.03 | 0.03 | 0.03 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I... | 1 | 0 | 1.5 | 0 | 1.5 | 0 | 0.75 | 0 | 0.38 | 0.01 | 1 | 0 | 1 | 0 | 1 | 0 |
○Loop 14507 - sim_util.cpp:149-150 - libgromacs.so.8 [...] | | 0.02 | 0.01 | 0.02 | 0.01 | 0.02 | 0.03 | 0.02 | 0.02 | 0.06 | 0.02 | 0.02 | 0.01 | 0.01 | 0.01 | 0.02 | 0.02 | 0.06 | 0.02 | 0.01 | 0.01 | 0.01 | 0 | 0 | 0 | 1 | 2 | 4 | 5 | 12 | 20 | 21 | 50 | 0.00 | 0.01 | 0.00 | 0.01 | 0.01 | 0.03 | 0.03 | 0.03 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | 1 | 0 | 1.5 | 0 | 1.5 | 0 | 0.75 | 0 | 0.38 | 0.01 | 1 | 0 | 1 | 0 | 1 | 0 |
►int make_bondeds_zone<true>(gmx_reverse_top_t const&, gmx::ArrayRef<int const>, gmx_ga2la_t const&, gmx_domdec_zones_t const&, std::vector<gmx_molblock_t, std::allocator<gmx_molblock_t> > const&, bool, int const*, bo...+ | libgromacs.so.8 | 0.02 | 0.03 | 0.03 | 0.03 | 0.02 | 0.01 | 0.01 | 0 | 0.04 | 0.04 | 0.04 | 0.02 | 0.01 | 0.01 | 0 | 0 | 0.04 | 0.04 | 0.03 | 0.01 | 0.01 | 0 | 0 | 0 | 1 | 2 | 4 | 7 | 11 | 6 | 10 | 16 | 0.00 | 0.01 | 0.01 | 0.01 | 0.02 | 0.03 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I... | 1 | 0 | 0.5 | 0.01 | 0.33 | 0.02 | 0.5 | 0.01 | 0.25 | 0.01 | 1 | 0 | 1 | 0 | 1 | 0 |
►Loop 4110 - localtopology.cpp:104-701 - libgromacs.so.8 [...]+ | | 0.01 | 0.02 | 0.02 | 0.02 | 0.02 | 0.01 | 0.01 | 0 | 0.02 | 0.02 | 0.02 | 0.02 | 0.01 | 0.01 | 0 | 0 | 0.02 | 0.02 | 0.02 | 0.01 | 0 | 0 | 0 | 0 | 1 | 2 | 4 | 7 | 8 | 6 | 8 | 12 | 0.00 | 0.00 | 0.01 | 0.01 | 0.02 | 0.02 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 4111 - stl_algo.h:568-573 - libgromacs.so.8 [...] | | 0.01 | 0.01 | 0.01 | 0 | 0.01 | 0 | 0 | 0 | 0.02 | 0.02 | 0.02 | 0 | 0.01 | 0 | 0 | 0 | 0.02 | 0.02 | 0.01 | 0 | 0 | 0 | 0 | 0 | 1 | 2 | 4 | 1 | 5 | 1 | 2 | 4 | 0.00 | 0.01 | 0.01 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►atoms_to_constraints(gmx_domdec_t*, gmx_mtop_t const&, gmx::ArrayRef<long const>, gmx::ArrayRef<gmx::ListOfLists<int> const>, int, InteractionList*, std::vector<int, std::allocator<int> >*)+ | libgromacs.so.8 | 0.02 | 0.02 | 0.02 | 0.01 | 0.03 | 0.02 | 0.01 | 0.01 | 0.05 | 0.05 | 0.05 | 0.03 | 0.11 | 0.09 | 0.08 | 0.08 | 0.04 | 0.03 | 0.01 | 0 | 0.01 | 0 | 0 | 0 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I... | 1 | 0 | 0.67 | 0.01 | 1 | 0 | 1 | 0 | 0.25 | 0.02 | 1 | 0 | 1 | 0 | 1 | 0 |
►Loop 3948 - domdec_constraints.cpp:286-347 - libgromacs.so.8 [...]+ | | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.04 | 0.03 | 0.03 | 0.02 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | 1 | 0 | 1 | 0 | 0.5 | 0.01 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
►Loop 3950 - ga2la.h:112-126 - libgromacs.so.8 [...]+ | | 0.01 | 0.01 | 0.01 | 0 | 0.02 | 0.01 | 0.01 | 0 | 0.03 | 0.02 | 0.02 | 0.01 | 0.08 | 0.05 | 0.05 | 0.05 | 0.03 | 0.01 | 0.01 | 0 | 0.01 | 0 | 0 | 0 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | 1 | 0 | 1.5 | 0 | 0.75 | 0 | 1 | 0 | 0.19 | 0.02 | 1 | 0 | 1 | 0 | 1 | 0 |
○Loop 3951 - hashedmap.h:277-282 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 3949 - mtop_lookup.h:93-106 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 1 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○_IO_vfprintf | libc-2.28.so | 0.02 | 0.01 | 0.01 | 0.01 | 0.02 | 0.01 | 0.01 | 0 | 0.05 | 0.02 | 0.03 | 0.04 | 0.05 | 0.05 | 0.05 | 0.04 | 0.04 | 0.01 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | IO (%): 100.00 | IO (%): 100.00 | IO (%): 100.00 | IO (%): 100.00 | IO (%): 100.00 | IO (%): 100.00 | IO (%): 100.00 | IO (%): 100.00 | | 1 | 0 | 2 | 0 | 1 | 0 | 0.5 | 0.01 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
►unwrap_periodic_pmegrid(gmx_pme_t*, float*) [clone .extracted.30]+ | libgromacs.so.8 | 0.02 | 0.03 | 0.03 | 0.04 | 0.02 | 0.03 | 0.06 | 0.1 | 0.04 | 0.06 | 0.02 | 0.03 | 0.01 | 0.02 | 0.02 | 0.04 | 0.04 | 0.05 | 0.02 | 0.02 | 0 | 0 | 0.01 | 0.01 | 1 | 2 | 4 | 6 | 9 | 13 | 42 | 94 | 0.00 | 0.01 | 0.01 | 0.02 | 0.02 | 0.03 | 0.06 | 0.08 | 0.00 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I... | 1 | 0 | 0.4 | 0.02 | 0.5 | 0.01 | 0.25 | 0.03 | 1 | 0 | 1 | 0 | 0.06 | 0.06 | 0.03 | 0.1 |
►Loop 16087 - pme_grid.cpp:512-522 - libgromacs.so.8+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 16088 - pme_grid.cpp:518-522 - libgromacs.so.8+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 16090 - pme_grid.cpp:520-522 - libgromacs.so.8 | | 0.02 | 0.03 | 0.03 | 0.04 | 0.02 | 0.02 | 0.06 | 0.1 | 0.04 | 0.05 | 0.02 | 0.03 | 0.01 | 0.02 | 0.02 | 0.04 | 0.04 | 0.05 | 0.02 | 0.02 | 0 | 0 | 0.01 | 0.01 | 1 | 2 | 4 | 6 | 9 | 11 | 42 | 94 | 0.00 | 0.00 | 0.01 | 0.02 | 0.02 | 0.04 | 0.06 | 0.08 | 0.00 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | | | | | | | | | | 1 | 0 | 0.4 | 0.02 | 0.5 | 0.01 | 0.25 | 0.03 | 1 | 0 | 1 | 0 | 0.06 | 0.06 | 0.03 | 0.1 |
○Loop 16089 - pme_grid.cpp:520-522 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►setup_bonded_threading(bonded_threading_t*, int, bool, InteractionDefinitions const&) [clone .extracted]+ | libgromacs.so.8 | 0.02 | 0.02 | 0.01 | 0.02 | 0.01 | 0.08 | 0.16 | 0.01 | 0.04 | 0.04 | 0.01 | 0.03 | 0 | 0.02 | 0.03 | 0.01 | 0.04 | 0.03 | 0.01 | 0.01 | 0 | 0.01 | 0.02 | 0 | 1 | 2 | 3 | 6 | 5 | 28 | 61 | 37 | 0.00 | 0.01 | 0.01 | 0.02 | 0.00 | 0.04 | 0.07 | 0.02 | 0.00 | 0.02 | 0.00 | 0.01 | 0.00 | 0.01 | 0.01 | 0.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I... | 1 | 0 | 0.67 | 0.01 | 1 | 0 | 0.5 | 0.01 | 1 | 0 | 0.13 | 0.07 | 0.03 | 0.15 | 1 | 0 |
►Loop 15831 - manage_threading.cpp:336-397 - libgromacs.so.8 [...]+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 15833 - manage_threading.cpp:351-367 - libgromacs.so.8 [...]+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 2 | 1 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 15834 - manage_threading.cpp:363-367 - libgromacs.so.8 [...]+ | | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0.01 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 2 | 2 | 2 | 2 | 3 | 3 | 1 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 15835 - manage_threading.cpp:365-367 - libgromacs.so.8 [...] | | 0.01 | 0.01 | 0 | 0.01 | 0 | 0.05 | 0.08 | 0.01 | 0.02 | 0.01 | 0.01 | 0 | 0 | 0.02 | 0.02 | 0.01 | 0.02 | 0.01 | 0 | 0 | 0 | 0.01 | 0.01 | 0 | 1 | 2 | 2 | 4 | 1 | 23 | 53 | 23 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.04 | 0.05 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 15836 - manage_threading.cpp:365-367 - libgromacs.so.8 [...] | | 0 | 0.01 | 0 | 0.01 | 0 | 0.03 | 0.07 | 0.01 | 0.01 | 0.02 | 0.01 | 0.02 | 0 | 0.01 | 0.02 | 0.01 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 0.01 | 0 | 1 | 1 | 1 | 3 | 2 | 12 | 46 | 18 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.02 | 0.05 | 0.01 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 15832 - utilities.h:57-57 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►gmx::dd_partition_system(_IO_FILE*, gmx::MDLogger const&, long, t_commrec const*, bool, t_state*, gmx_mtop_t const&, t_inputrec const&, gmx::ImdSession*, pull_t*, t_state*, gmx::ForceBuffers*, gmx::MDAtoms*, gmx_localtop_t*, t_forcerec*, gmx::V...+ | libgromacs.so.8 | 0.02 | 0.03 | 0.03 | 0.02 | 0.05 | 0.04 | 0.02 | 0.01 | 0.05 | 0.09 | 0.1 | 0.06 | 0.17 | 0.16 | 0.14 | 0.17 | 0.04 | 0.05 | 0.02 | 0.01 | 0.01 | 0.01 | 0 | 0 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I... | 1 | 0 | 0.4 | 0.02 | 0.5 | 0.01 | 0.5 | 0.01 | 0.25 | 0.04 | 0.13 | 0.04 | 1 | 0 | 1 | 0 |
○Loop 4276 - partition.cpp:448-450 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 4286 - partition.cpp:1182-1186 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 4287 - partition.cpp:931-935 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 4288 - partition.cpp:665-917 - libgromacs.so.8 [...]+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 4290 - stl_algobase.h:235-259 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 4289 - partition.cpp:875-903 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 4278 - partition.cpp:468-470 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 4254 - partition.cpp:448-450 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 4283 - hashedmap.h:229-255 - libgromacs.so.8 [...]+ | | 0 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0 | 0 | 0.01 | 0.03 | 0.03 | 0.02 | 0.02 | 0.02 | 0.03 | 0.01 | 0.01 | 0.02 | 0.01 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | 1 | 0 | 0.25 | 0.01 | 0.25 | 0.01 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
○Loop 4284 - hashedmap.h:232-255 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 4272 - partition.cpp:725-732 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 4281 - utility.h:82-89 - libgromacs.so.8 [...]+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 4280 - utility.h:82-82 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 4256 - partition.cpp:424-434 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 4211 - partition.cpp:447-3368 - libgromacs.so.8 [...]+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 4243 - stl_algobase.h:383-385 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 4249 - partition.cpp:2521-2523 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 4252 - partition.cpp:2556-2560 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0.01 | 0 | 0.01 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 1 | 1 | 1 | 0 | 1 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 4230 - stl_algobase.h:383-385 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 4231 - partition.cpp:2521-2523 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 4225 - partition.cpp:448-450 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 4253 - partition.cpp:450-468 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 4248 - stl_algobase.h:383-385 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0.01 | 0 | 0 | 0 | 0.01 | 0 | 0 | 0.01 | 0.03 | 0.02 | 0.02 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 1 | 1 | 1 | 1 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 4223 - partition.cpp:2216-2220 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 4220 - partition.cpp:3217-3231 - libgromacs.so.8 [...]+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 4221 - domdec_internal.h:249-251 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 4212 - domdec_internal.h:249-251 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 4237 - partition.cpp:2521-2523 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 4236 - stl_algobase.h:383-385 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 4244 - stl_algobase.h:383-385 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0.01 | 0 | 0.01 | 0 | 0.01 | 0 | 0 | 0 | 0.03 | 0.01 | 0.03 | 0.03 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 1 | 1 | 1 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
○Loop 4214 - partition.cpp:614-623 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 4229 - stl_algobase.h:383-385 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 4217 - partition.cpp:554-568 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 4239 - stl_algobase.h:383-385 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 4242 - partition.cpp:2521-2523 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 4226 - hashedmap.h:290-293 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 4241 - partition.cpp:2521-2523 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 4215 - ga2la.h:112-114 - libgromacs.so.8 [...]+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 4216 - hashedmap.h:277-282 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 4213 - partition.cpp:614-623 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 4245 - partition.cpp:2521-2523 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 4218 - partition.cpp:554-568 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 4251 - partition.cpp:2556-2560 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 4219 - partition.cpp:3217-3239 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 4228 - stl_algobase.h:383-385 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 4246 - partition.cpp:2521-2523 - libgromacs.so.8 [...] | | 0 | 0.01 | 0 | 0 | 0.01 | 0 | 0 | 0 | 0.01 | 0.03 | 0 | 0.01 | 0.02 | 0.02 | 0.02 | 0.04 | 0.01 | 0.02 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 1 | 1 | 1 | 1 | 1 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | 1 | 0 | 0.25 | 0.01 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
○Loop 4224 - partition.cpp:450-450 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 4227 - ga2la.h:156-158 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0 | 0.03 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 1 | 1 | 0 | 1 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 4247 - stl_algobase.h:383-385 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 4240 - stl_algobase.h:383-385 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 4222 - partition.cpp:3194-3196 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 4250 - partition.cpp:2521-2523 - libgromacs.so.8 [...] | | 0 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.02 | 0.01 | 0.01 | 0.01 | 0.02 | 0.01 | 0 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 1 | 1 | 1 | 1 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 4232 - partition.cpp:2521-2523 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0.01 | 0 | 0 | 0 | 0.01 | 0 | 0 | 0 | 0.02 | 0.01 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 1 | 1 | 1 | 1 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 4233 - partition.cpp:2540-2540 - libgromacs.so.8 [...]+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 4234 - stl_algobase.h:383-385 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 4235 - stl_algobase.h:383-385 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 4238 - partition.cpp:2521-2523 - libgromacs.so.8 [...] | | 0 | 0 | 0.01 | 0 | 0.01 | 0 | 0 | 0 | 0.01 | 0.01 | 0.02 | 0 | 0.02 | 0.02 | 0 | 0 | 0.01 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 4282 - ga2la.h:156-158 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 4285 - ga2la.h:156-158 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 4279 - partition.cpp:468-470 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 4275 - partition.cpp:448-450 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 4257 - partition.cpp:170-383 - libgromacs.so.8 [...]+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 4271 - partition.cpp:185-197 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 4258 - partition.cpp:173-383 - libgromacs.so.8 [...]+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 4262 - partition.cpp:309-313 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 4260 - partition.cpp:360-362 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 4263 - partition.cpp:309-336 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 4261 - partition.cpp:350-354 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 4268 - partition.cpp:193-298 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 4259 - partition.cpp:374-378 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 4264 - partition.cpp:309-321 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 4266 - partition.cpp:275-298 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 4267 - partition.cpp:275-298 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 4265 - partition.cpp:275-275 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 4269 - partition.cpp:173-250 - libgromacs.so.8 [...]+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 4270 - partition.cpp:246-250 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 4255 - partition.cpp:149-162 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 4274 - utility.h:82-89 - libgromacs.so.8 [...]+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 4273 - utility.h:82-82 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 4277 - partition.cpp:468-3157 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○void do_dih_fup<(BondedKernelFlavor)0>(int, int, int, int, float, float*, float*, float*, float*, float*, float (*) [4], float (*) [3], t_pbc const*, float const (*) [3], int, int, int) | libgromacs.so.8 | 0.01 | 0.01 | 0.01 | 0.02 | 0.01 | 0.01 | 0.01 | 0 | 0.02 | 0.02 | 0.02 | 0.03 | 0.02 | 0.01 | 0.01 | 0 | 0.02 | 0.02 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 1 | 2 | 3 | 3 | 3 | 6 | 6 | 9 | 0.00 | 0.00 | 0.01 | 0.03 | 0.03 | 0.03 | 0.02 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 0.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I... | 1 | 0 | 0.5 | 0.01 | 0.5 | 0.01 | 0.25 | 0.01 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
○atan2f | gmx | 0.01 | 0.01 | 0 | 0 | 0.01 | 0 | 0 | 0 | 0.03 | 0.01 | 0.01 | 0 | 0.01 | 0.01 | 0 | 0 | 0.03 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 2 | 2 | 0 | 3 | 2 | 0 | 1 | 0.00 | 0.01 | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | NA | Math (%): 100.00 | Math (%): 100.00 | NA | Math (%): 100.00 | | | | | | | | | | | | | | | | | |
►gmx::set_lincs(InteractionDefinitions const&, int, gmx::ArrayRef<float const>, float, bool, t_commrec const*, gmx::Lincs*) [clone .extracted]+ | libgromacs.so.8 | 0.01 | 0.01 | 0.01 | 0.01 | 0.05 | 0.02 | 0.05 | 0.02 | 0.03 | 0.02 | 0.01 | 0.01 | 0.03 | 0.01 | 0.02 | 0.01 | 0.03 | 0.02 | 0.01 | 0 | 0.01 | 0 | 0.01 | 0 | 1 | 2 | 4 | 5 | 11 | 12 | 44 | 45 | 0.00 | 0.01 | 0.01 | 0.01 | 0.05 | 0.01 | 0.04 | 0.01 | 0.00 | 0.01 | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I... | 1 | 0 | 0.75 | 0 | 0.75 | 0 | 1 | 0 | 0.19 | 0.04 | 1 | 0 | 0.05 | 0.05 | 1 | 0 |
►Loop 14204 - lincs.cpp:1986-2260 - libgromacs.so.8 [...]+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 14205 - lincs.cpp:1986-2260 - libgromacs.so.8 [...]+ | | 0 | 0.01 | 0.01 | 0 | 0.02 | 0.01 | 0.02 | 0.01 | 0.01 | 0.01 | 0.01 | 0 | 0.01 | 0 | 0.02 | 0.01 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 2 | 3 | 3 | 8 | 6 | 20 | 17 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.04 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 14213 - lincs.cpp:2000-2005 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0.01 | 0 | 0.01 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 7 | 0 | 6 | 3 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.04 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 14215 - lincs.cpp:1992-1997 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 1 | 1 | 3 | 1 | 3 | 5 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 14208 - stl_algo.h:1803-1846 - libgromacs.so.8 [...]+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 14209 - stl_algo.h:1806-1808 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 14212 - lincs.cpp:2000-2005 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0 | 0.01 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 2 | 2 | 3 | 0 | 10 | 5 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 14206 - stl_algobase.h:741-742 - libgromacs.so.8 [...]+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 14207 - stl_algo.h:1806-1808 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 14214 - lincs.cpp:1992-1997 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0.02 | 0.01 | 0.02 | 0.01 | 0.01 | 0 | 0 | 0 | 0.01 | 0.01 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 1 | 1 | 8 | 6 | 22 | 16 | 0.00 | 0.00 | 0.00 | 0.00 | 0.02 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 14210 - stl_algo.h:1806-1826 - libgromacs.so.8 [...]+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 14211 - stl_algo.h:1806-1808 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►unwrap_periodic_pmegrid(gmx_pme_t*, float*)+ | libgromacs.so.8 | 0.01 | 0.02 | 0.02 | 0.02 | 0.02 | 0.03 | 0.02 | 0.01 | 0.02 | 0.05 | 0.05 | 0.07 | 0.07 | 0.12 | 0.1 | 0.2 | 0.02 | 0.03 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I... | 1 | 0 | 0.33 | 0.01 | 0.5 | 0.01 | 0.25 | 0.01 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
►Loop 16064 - pme_grid.cpp:496-504 - libgromacs.so.8+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 16065 - pme_grid.cpp:500-504 - libgromacs.so.8+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 16067 - pme_grid.cpp:502-504 - libgromacs.so.8 | | 0.01 | 0.02 | 0.02 | 0.02 | 0.02 | 0.03 | 0.02 | 0.01 | 0.02 | 0.05 | 0.05 | 0.07 | 0.07 | 0.12 | 0.1 | 0.2 | 0.02 | 0.03 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | 1 | 0 | 0.33 | 0.01 | 0.5 | 0.01 | 0.25 | 0.01 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
○Loop 16066 - pme_grid.cpp:502-504 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►make_dd_indices(gmx_domdec_t*, int)+ | libgromacs.so.8 | 0.01 | 0 | 0.01 | 0 | 0 | 0.01 | 0.01 | 0 | 0.02 | 0 | 0.02 | 0.01 | 0.01 | 0.02 | 0.07 | 0.05 | 0.02 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I... | 1 | 0 | 1 | 0 | 0.5 | 0.01 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
►Loop 4297 - partition.cpp:514-539 - libgromacs.so.8 [...]+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 4298 - hashedmap.h:144-204 - libgromacs.so.8 [...]+ | | 0.01 | 0 | 0.01 | 0 | 0 | 0.01 | 0.01 | 0 | 0.02 | 0 | 0.02 | 0.01 | 0.01 | 0.02 | 0.07 | 0.05 | 0.02 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | 1 | 0 | 1 | 0 | 0.5 | 0.01 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
○Loop 4299 - hashedmap.h:187-189 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 4300 - hashedmap.h:167-167 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○mkl_serv_verbose_mode@plt | libmkl_core.so | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.03 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.03 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 2 | 0 | 2 | 2 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | Math (%): 100.00 | Math (%): 100.00 | NA | Math (%): 100.00 | NA | Math (%): 100.00 | Math (%): 100.00 | NA | | | | | | | | | | | | | | | | | |
○hack_digit | libc-2.28.so | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0 | 0 | 0 | 0.02 | 0.01 | 0.03 | 0.02 | 0.02 | 0.01 | 0 | 0.02 | 0.02 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 1 | 1 | 1 | 1 | 0 | 1 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | System (%): 100.00 | System (%): 100.00 | System (%): 100.00 | System (%): 100.00 | System (%): 100.00 | System (%): 100.00 | NA | System (%): 100.00 | | 1 | 0 | 1 | 0 | 0.5 | 0.01 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
►float (anonymous namespace)::idihs<(BondedKernelFlavor)0>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, float, float*, gmx::ArrayRef<float const>, t_fcdata*, t_disresdata*, t_oriresdata*, in...+ | libgromacs.so.8 | 0.01 | 0.02 | 0.01 | 0 | 0.01 | 0 | 0.01 | 0 | 0.03 | 0.04 | 0.01 | 0.01 | 0.01 | 0 | 0.01 | 0.01 | 0.03 | 0.03 | 0.01 | 0 | 0 | 0 | 0 | 0 | 1 | 2 | 4 | 2 | 4 | 4 | 6 | 11 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.02 | 0.02 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I... | 1 | 0 | 0.5 | 0.01 | 0.75 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
○Loop 15654 - bonded.cpp:196-2327 - libgromacs.so.8 [...] | | 0.01 | 0.02 | 0.01 | 0 | 0.01 | 0 | 0.01 | 0 | 0.03 | 0.04 | 0.01 | 0.01 | 0.01 | 0 | 0.01 | 0.01 | 0.03 | 0.03 | 0.01 | 0 | 0 | 0 | 0 | 0 | 1 | 2 | 4 | 2 | 3 | 4 | 6 | 10 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.02 | 0.02 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | 1 | 0 | 0.5 | 0.01 | 0.75 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
►mk_mshift(_IO_FILE*, t_graph*, PbcType, float const (*) [3], float const (*) [3])+ | libgromacs.so.8 | 0.01 | 0.01 | 0.01 | 0.01 | 0 | 0.01 | 0 | 0 | 0.03 | 0.02 | 0.03 | 0.03 | 0.01 | 0.03 | 0.03 | 0.02 | 0.03 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I... | 1 | 0 | 1.5 | 0 | 0.75 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
►Loop 5057 - stl_vector.h:919-1173 - libgromacs.so.8 [...]+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 5058 - mshift.cpp:677-681 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 5059 - mshift.cpp:786-788 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 5061 - mshift.cpp:455-769 - libgromacs.so.8 [...]+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 1 | 1 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 5056 - mshift.cpp:655-657 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 5063 - mshift.cpp:455-769 - libgromacs.so.8 [...]+ | | 0 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0 | 0.01 | 0.01 | 0 | 0 | 0 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 1 | 0 | 0 | 1 | 1 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 5062 - mshift.cpp:655-657 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 5070 - mshift.cpp:655-657 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 5064 - mshift.cpp:455-714 - libgromacs.so.8 [...]+ | | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.02 | 0 | 0 | 0.01 | 0 | 0.02 | 0.01 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 1 | 1 | 1 | 1 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 5065 - mshift.cpp:456-714 - libgromacs.so.8 [...]+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0 | 0.01 | 0.01 | 0 | 0.01 | 0 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 1 | 1 | 1 | 0 | 1 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 5066 - mshift.cpp:472-474 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 5068 - mshift.cpp:464-466 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 5067 - mshift.cpp:472-474 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 5069 - mshift.cpp:464-466 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 5071 - mshift.cpp:655-657 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 5060 - mshift.cpp:786-788 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 5072 - mshift.cpp:714-716 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►gmx_fft_many_1d_real(gmx_fft*, gmx_fft_direction, void*, void*)+ | libgromacs.so.8 | 0.01 | 0.01 | 0.02 | 0.01 | 0.01 | 0.01 | 0.01 | 0 | 0.03 | 0.02 | 0.01 | 0.01 | 0.01 | 0.01 | 0 | 0 | 0.03 | 0.02 | 0.01 | 0 | 0 | 0 | 0 | 0 | 1 | 2 | 4 | 6 | 5 | 5 | 9 | 10 | 0.00 | 0.01 | 0.01 | 0.01 | 0.02 | 0.02 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I... | | | | | | | | | | | | | | | | |
○Loop 16327 - fft.cpp:132-140 - libgromacs.so.8 | | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0 | 0 | 0.03 | 0.02 | 0.01 | 0.01 | 0.01 | 0.01 | 0 | 0 | 0.03 | 0.02 | 0.01 | 0 | 0 | 0 | 0 | 0 | 1 | 2 | 4 | 5 | 5 | 5 | 6 | 5 | 0.00 | 0.01 | 0.01 | 0.00 | 0.01 | 0.02 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►globalAtomIndexToMoltypeIndices(gmx::ArrayRef<MolblockIndices const>, int)+ | libgromacs.so.8 | 0.01 | 0.02 | 0.01 | 0.01 | 0.01 | 0.02 | 0.01 | 0 | 0.04 | 0.03 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0 | 0.04 | 0.03 | 0.01 | 0 | 0 | 0 | 0 | 0 | 1 | 2 | 4 | 4 | 3 | 13 | 9 | 9 | 0.00 | 0.00 | 0.00 | 0.01 | 0.02 | 0.02 | 0.02 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I... | 1 | 0 | 0.67 | 0.01 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
○Loop 4410 - reversetopology.cpp:141-146 - libgromacs.so.8 | | 0 | 0.01 | 0.01 | 0 | 0 | 0.01 | 0 | 0 | 0.01 | 0.02 | 0.01 | 0.01 | 0.01 | 0.01 | 0 | 0 | 0.01 | 0.02 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 2 | 3 | 2 | 2 | 8 | 4 | 6 | 0.00 | 0.01 | 0.00 | 0.01 | 0.02 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Nbnxm::Grid::calcColumnIndices(Nbnxm::Grid::Dimensions const&, gmx::UpdateGroupsCog const*, gmx::Range<int>, gmx::ArrayRef<gmx::BasicVector<float> const>, int, int const*, int, int, gmx::ArrayRef<int>, gmx::ArrayRef<int>)+ | libgromacs.so.8 | 0.01 | 0.01 | 0.01 | 0.01 | 0 | 0.01 | 0.01 | 0.01 | 0.02 | 0.02 | 0.01 | 0.01 | 0.01 | 0 | 0.01 | 0 | 0.02 | 0.02 | 0.01 | 0 | 0 | 0 | 0 | 0 | 1 | 2 | 3 | 5 | 2 | 5 | 10 | 17 | 0.00 | 0.01 | 0.00 | 0.01 | 0.02 | 0.00 | 0.02 | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I... | | | | | | | | | | | | | | | | |
○Loop 2022 - grid.cpp:1241-1313 - libgromacs.so.8 [...] | | 0.01 | 0.01 | 0.01 | 0.01 | 0 | 0.01 | 0.01 | 0.01 | 0.02 | 0.02 | 0.01 | 0.01 | 0.01 | 0 | 0.01 | 0 | 0.02 | 0.02 | 0.01 | 0 | 0 | 0 | 0 | 0 | 1 | 2 | 3 | 5 | 2 | 5 | 10 | 17 | 0.00 | 0.01 | 0.00 | 0.01 | 0.02 | 0.00 | 0.02 | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 2023 - grid.cpp:1241-1346 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Nbnxm::Grid::setCellIndices(int, int, Nbnxm::GridSetData*, gmx::ArrayRef<Nbnxm::GridWork>, gmx::Range<int>, gmx::ArrayRef<long const>, gmx::ArrayRef<gmx::BasicVector<float> const>, int, nbnxn_atomdata_t*)+ | libgromacs.so.8 | 0.01 | 0.01 | 0 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.02 | 0.03 | 0.01 | 0.03 | 0.02 | 0.04 | 0.08 | 0.1 | 0.02 | 0.02 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I... | 1 | 0 | 0.5 | 0.01 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
○Loop 2034 - grid.cpp:1464-1468 - libgromacs.so.8 [...] | | 0.01 | 0.01 | 0 | 0.01 | 0.01 | 0.01 | 0.01 | 0 | 0.02 | 0.03 | 0.01 | 0.02 | 0.02 | 0.03 | 0.07 | 0.08 | 0.02 | 0.02 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | 1 | 0 | 0.5 | 0.01 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
►Loop 2030 - grid.cpp:672-697 - libgromacs.so.8 [...]+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 2031 - grid.cpp:678-678 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0.02 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 0 | 0 | 1 | 1 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 2028 - grid.cpp:1512-1514 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 2032 - grid.cpp:1476-1478 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 2029 - grid.cpp:1512-1514 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 2033 - grid.cpp:1476-1478 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 2027 - grid.cpp:1512-1514 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 2036 - grid.cpp:1436-1443 - libgromacs.so.8+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 2037 - grid.cpp:1438-1440 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 2035 - vector.tcc:514-603 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 2024 - grid.cpp:745-1391 - libgromacs.so.8 [...]+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 2025 - grid.cpp:748-1391 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 2026 - grid.cpp:707-712 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 2038 - grid.cpp:1391-1414 - libgromacs.so.8 [...]+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 2039 - grid.cpp:1402-1404 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►getVerletBufferAtomtypes(gmx_mtop_t const&, bool, bool)+ | libgromacs.so.8 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.02 | 0 | 0 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.02 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I... | | | | | | | | | | | | | | | | |
►Loop 13569 - new_allocator.h:127-162 - libgromacs.so.8 [...]+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 13583 - calc_verletbuf.cpp:195-414 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 13587 - stl_uninitialized.h:578-578 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 13586 - stl_uninitialized.h:578-578 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 13584 - calc_verletbuf.cpp:195-389 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 13574 - calc_verletbuf.cpp:195-335 - libgromacs.so.8 [...]+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 13575 - calc_verletbuf.cpp:195-335 - libgromacs.so.8 [...]+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 13580 - calc_verletbuf.cpp:228-231 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 13578 - calc_verletbuf.cpp:197-234 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 13581 - calc_verletbuf.cpp:228-231 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 13582 - calc_verletbuf.cpp:288-305 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 13576 - calc_verletbuf.cpp:275-277 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 13577 - calc_verletbuf.cpp:275-277 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 13579 - calc_verletbuf.cpp:197-234 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 13585 - calc_verletbuf.cpp:195-389 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 13570 - calc_verletbuf.cpp:163-439 - libgromacs.so.8 [...]+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 13572 - stl_uninitialized.h:1031-1031 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 13573 - calc_verletbuf.cpp:163-177 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0 | 0 | 0.01 | 0.01 | 0.01 | 0 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 13571 - stl_uninitialized.h:1031-1031 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 13568 - calc_verletbuf.cpp:447-458 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○__strchrnul_avx2 | libc-2.28.so | 0.01 | 0.01 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0.02 | 0.02 | 0 | 0.02 | 0.01 | 0 | 0 | 0 | 0.02 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | String (%): 100.00 | String (%): 100.00 | String (%): 100.00 | String (%): 100.00 | String (%): 100.00 | String (%): 100.00 | String (%): 100.00 | String (%): 100.00 | | | | | | | | | | | | | | | | | |
►gmx::set_lincs_matrix(gmx::Lincs*, gmx::ArrayRef<float const>, float) [clone .extracted]+ | libgromacs.so.8 | 0.01 | 0.02 | 0.02 | 0.01 | 0.01 | 0.01 | 0.02 | 0.01 | 0.04 | 0.02 | 0.02 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.04 | 0.02 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 1 | 2 | 4 | 5 | 4 | 6 | 20 | 33 | 0.00 | 0.00 | 0.01 | 0.01 | 0.01 | 0.02 | 0.01 | 0.02 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I... | 1 | 0 | 1 | 0 | 1 | 0 | 0.5 | 0.01 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
►Loop 14220 - lincs.cpp:1298-1403 - libgromacs.so.8 [...]+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 14221 - lincs.cpp:1301-1374 - libgromacs.so.8 [...]+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 1 | 0 | 1 | 0 | 2 | 2 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 14222 - lincs.cpp:1305-1374 - libgromacs.so.8 [...]+ | | 0.01 | 0.01 | 0.02 | 0.01 | 0.01 | 0.01 | 0.02 | 0.01 | 0.04 | 0.02 | 0.02 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.04 | 0.02 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 1 | 2 | 4 | 5 | 4 | 6 | 18 | 31 | 0.00 | 0.00 | 0.01 | 0.01 | 0.01 | 0.02 | 0.01 | 0.01 | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | 1 | 0 | 1 | 0 | 1 | 0 | 0.5 | 0.01 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
○Loop 14223 - lincs.cpp:1341-1374 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►copy_fftgrid_to_pmegrid(gmx_pme_t*, float const*, float*, int, int, int)+ | libgromacs.so.8 | 0.01 | 0.02 | 0.01 | 0.01 | 0.02 | 0.01 | 0.01 | 0 | 0.04 | 0.04 | 0.01 | 0.01 | 0.01 | 0.01 | 0 | 0.01 | 0.04 | 0.03 | 0.01 | 0 | 0 | 0 | 0 | 0 | 1 | 2 | 3 | 5 | 8 | 7 | 7 | 12 | 0.00 | 0.01 | 0.00 | 0.01 | 0.02 | 0.02 | 0.00 | 0.01 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I... | 1 | 0 | 0.67 | 0.01 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
►Loop 16048 - pme_grid.cpp:395-404 - libgromacs.so.8+ | | 0.01 | 0.02 | 0.01 | 0.01 | 0.02 | 0.01 | 0 | 0 | 0.04 | 0.04 | 0.01 | 0.01 | 0.01 | 0.01 | 0 | 0.01 | 0.04 | 0.03 | 0.01 | 0 | 0 | 0 | 0 | 0 | 1 | 2 | 3 | 5 | 8 | 7 | 6 | 11 | 0.00 | 0.01 | 0.00 | 0.01 | 0.02 | 0.02 | 0.00 | 0.01 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | 1 | 0 | 0.67 | 0.01 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
○Loop 16051 - pme_grid.cpp:402-404 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 16050 - pme_grid.cpp:402-404 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 16049 - pme_grid.cpp:402-404 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○_IO_file_xsputn | libc-2.28.so | 0.01 | 0.01 | 0.01 | 0 | 0.01 | 0 | 0 | 0 | 0.02 | 0.02 | 0.03 | 0.01 | 0.04 | 0.02 | 0.01 | 0.01 | 0.02 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | IO (%): 100.00 | IO (%): 100.00 | IO (%): 100.00 | IO (%): 100.00 | IO (%): 100.00 | IO (%): 100.00 | IO (%): 100.00 | IO (%): 100.00 | | 1 | 0 | 1 | 0 | 0.5 | 0.01 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
►gmx::makeAtomsToConstraintsList(int, gmx::ArrayRef<InteractionList const>, gmx::ArrayRef<t_iparams const>, gmx::FlexibleConstraintTreatment)+ | libgromacs.so.8 | 0.01 | 0 | 0.01 | 0 | 0.01 | 0 | 0 | 0 | 0.03 | 0.01 | 0.02 | 0 | 0.03 | 0.01 | 0.01 | 0.02 | 0.03 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I... | 1 | 0 | 1.5 | -0 | 0.75 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
○Loop 13630 - constr.h:220-220 - libgromacs.so.8 [...] | | 0.01 | 0 | 0.01 | 0 | 0.01 | 0 | 0 | 0 | 0.02 | 0 | 0.01 | 0 | 0.02 | 0.01 | 0 | 0.01 | 0.02 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 1 | 0 | 1 | 1 | 1 | 1 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 13629 - constr.h:220-220 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 13631 - constr.cpp:895-898 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 13634 - constr.h:220-220 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 13635 - constr.h:220-220 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 1 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 13632 - constr.cpp:895-897 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 1 | 0 | 1 | 0 | 1 | 1 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 13633 - constr.cpp:895-897 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►dd_redistribute_cg(_IO_FILE*, long, gmx_domdec_t*, int*, t_state*, t_forcerec*, t_nrnb*, int*)+ | libgromacs.so.8 | 0.01 | 0.01 | 0.01 | 0.02 | 0 | 0 | 0 | 0 | 0.03 | 0.02 | 0.02 | 0.06 | 0.01 | 0.02 | 0.01 | 0.03 | 0.03 | 0.01 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I... | 1 | 0 | 1.5 | 0 | 0.75 | 0 | 0.38 | 0.01 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
○Loop 4392 - redistribute.cpp:91-100 - libgromacs.so.8 [...] | | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.02 | 0 | 0 | 0.01 | 0 | 0 | 0 | 0.01 | 0.02 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 1 | 1 | 1 | 1 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 4393 - stl_vector.h:1046-1064 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 1 | 0 | 1 | 0 | 1 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 4390 - redistribute.cpp:91-100 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 4395 - stl_vector.h:919-940 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 4391 - redistribute.cpp:91-100 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 1 | 1 | 0 | 0 | 1 | 1 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 4388 - hashedmap.h:229-255 - libgromacs.so.8 [...]+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 4389 - hashedmap.h:232-255 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 4396 - stl_vector.h:919-1798 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 1 | 1 | 0 | 1 | 1 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 4394 - redistribute.cpp:711-713 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 4383 - redistribute.cpp:74-961 - libgromacs.so.8 [...]+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 4382 - redistribute.cpp:776-811 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 4385 - stl_vector.h:346-1798 - libgromacs.so.8 [...]+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 4386 - redistribute.cpp:74-899 - libgromacs.so.8 [...]+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 4387 - redistribute.cpp:868-870 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 4384 - utility.h:82-88 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►gmx::Constraints::Impl::apply(bool, bool, long, int, float, gmx::ArrayRefWithPadding<gmx::BasicVector<float> >, gmx::ArrayRefWithPadding<gmx::BasicVector<float> >, gmx::ArrayRef<gmx::BasicVector<float> >, float const (*)...+ | libgromacs.so.8 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.02 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.02 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 1 | 0 | 0 | 1 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | libgromacs.so.8 (%): 100.00 | NA | NA | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | NA | NA | libgromacs.so.8 (%): 100.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I... | | | | | | | | | | | | | | | | |
○Loop 13622 - constr.cpp:688-690 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 13625 - constr.cpp:680-680 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 13624 - constr.cpp:688-690 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 13623 - constr.cpp:688-690 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 13626 - constr.cpp:680-680 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►calc_vcm_grp(t_mdatoms const&, gmx::ArrayRef<gmx::BasicVector<float> const>, gmx::ArrayRef<gmx::BasicVector<float> const>, t_vcm*) [clone .extracted]+ | libgromacs.so.8 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0.02 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0.02 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 2 | 1 | 0 | 1 | 2 | 4 | 1 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | NA | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I... | | | | | | | | | | | | | | | | |
○Loop 14736 - vcm.cpp:143-215 - libgromacs.so.8 [...] | | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0.02 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0.02 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 2 | 1 | 0 | 1 | 1 | 3 | 1 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 14737 - vec.h:292-294 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►gmx_fft_many_1d(gmx_fft*, gmx_fft_direction, void*, void*)+ | libgromacs.so.8 | 0.01 | 0.02 | 0.01 | 0.02 | 0.02 | 0.01 | 0.01 | 0.01 | 0.03 | 0.03 | 0.01 | 0.02 | 0.01 | 0.02 | 0.01 | 0.01 | 0.03 | 0.03 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 1 | 2 | 3 | 6 | 9 | 7 | 8 | 19 | 0.00 | 0.00 | 0.01 | 0.01 | 0.01 | 0.03 | 0.02 | 0.01 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I... | 1 | 0 | 0.5 | 0.01 | 0.75 | 0 | 0.38 | 0.01 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
○Loop 16326 - fft.cpp:115-123 - libgromacs.so.8 | | 0.01 | 0.02 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0 | 0.03 | 0.02 | 0.01 | 0.02 | 0.01 | 0.02 | 0.01 | 0.01 | 0.03 | 0.02 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 1 | 2 | 3 | 6 | 6 | 7 | 6 | 12 | 0.00 | 0.00 | 0.01 | 0.01 | 0.01 | 0.03 | 0.02 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | 1 | 0 | 0.75 | 0.01 | 0.75 | 0 | 0.38 | 0.01 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
○__libm_exp_k32 | gmx | 0.01 | 0 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0.02 | 0 | 0.01 | 0.03 | 0 | 0.01 | 0.01 | 0.02 | 0.02 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 1 | 1 | 1 | 1 | 1 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | Exe (%): 100.00 | NA | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | | | | | | | | | | | | | | | | | |
►Nbnxm::Grid::sortColumnsCpuGeometry(Nbnxm::GridSetData*, int, gmx::ArrayRef<long const>, gmx::ArrayRef<gmx::BasicVector<float> const>, nbnxn_atomdata_t*, gmx::Range<int>, gmx::ArrayRef<int>)+ | libgromacs.so.8 | 0.01 | 0.01 | 0 | 0 | 0.01 | 0.02 | 0.02 | 0.02 | 0.02 | 0.03 | 0 | 0.01 | 0.01 | 0.01 | 0.01 | 0.02 | 0.02 | 0.02 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 1 | 1 | 5 | 13 | 17 | 49 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.02 | 0.02 | 0.03 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I... | 1 | 0 | 0.5 | 0.01 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
►Loop 2009 - grid.cpp:1032-1093 - libgromacs.so.8 [...]+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 2012 - grid.cpp:1068-1087 - libgromacs.so.8 [...] | | 0.01 | 0.01 | 0 | 0 | 0.01 | 0.02 | 0.01 | 0.02 | 0.02 | 0.03 | 0 | 0.01 | 0.01 | 0.01 | 0.01 | 0.02 | 0.02 | 0.02 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 1 | 1 | 5 | 13 | 16 | 49 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.02 | 0.02 | 0.03 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | 1 | 0 | 0.5 | 0.01 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
○Loop 2011 - grid.cpp:1091-1093 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 2010 - grid.cpp:1091-1093 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○__tls_get_addr | ld-2.28.so | 0 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 3 | 0 | 1 | 1 | 4 | 9 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | NA | NA | System (%): 100.00 | NA | System (%): 100.00 | System (%): 100.00 | System (%): 100.00 | System (%): 100.00 | | | | | | | | | | | | | | | | | |
○void __kmp_dispatch_deo<unsigned int>(int*, int*, ident*) | libiomp5.so | 0 | 0.01 | 0.04 | 0.09 | 0.15 | 0.25 | 0.35 | 0.32 | 0 | 0.03 | 0.04 | 0.04 | 0.03 | 0.04 | 0.04 | 0.05 | 0 | 0.02 | 0.03 | 0.03 | 0.03 | 0.03 | 0.04 | 0.04 | 0 | 1 | 3 | 7 | 15 | 31 | 63 | 127 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.03 | 0.04 | 0.04 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | NA | OMP (%): 100.00 | OMP (%): 100.00 | OMP (%): 100.00 | OMP (%): 100.00 | OMP (%): 100.00 | OMP (%): 100.00 | OMP (%): 100.00 | | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
○__GI___sched_yield | libc-2.28.so | 0 | 0.01 | 0.02 | 0.03 | 0.03 | 0.05 | 0.09 | 0.13 | 0 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.03 | 0.04 | 0 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.02 | 0 | 1 | 3 | 7 | 13 | 24 | 50 | 115 | 0.00 | 0.00 | 0.01 | 0.01 | 0.02 | 0.04 | 0.06 | 0.08 | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.01 | NA | System (%): 100.00 | System (%): 100.00 | System (%): 100.00 | System (%): 100.00 | System (%): 100.00 | System (%): 100.00 | System (%): 100.00 | | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
○__kmp_join_call | libiomp5.so | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0 | 0 | 0 | 0.01 | 0.01 | 0.02 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 1 | 1 | 1 | 1 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | NA | OMP (%): 100.00 | OMP (%): 100.00 | NA | OMP (%): 100.00 | OMP (%): 100.00 | OMP (%): 100.00 | OMP (%): 100.00 | | | | | | | | | | | | | | | | | |
○_ZN17_INTERNAL1311483b26__kmp_hyper_barrier_gatherE12barrier_typeP8kmp_infoiiPFvPvS3_ES3_..0 | libiomp5.so | 0 | 3.09 | 1.46 | 1.24 | 1.16 | 1.1 | 1.05 | 0.8 | 0 | 8.66 | 4.28 | 2.68 | 1.62 | 1.23 | 1.45 | 3.75 | 0 | 4.35 | 1.08 | 0.5 | 0.27 | 0.15 | 0.11 | 0.11 | 0 | 2 | 1 | 3 | 6 | 11 | 29 | 78 | 0.00 | 4.36 | 0.00 | 3.34 | 3.07 | 2.63 | 3.01 | 3.34 | 0.00 | 6.12 | 0.00 | 1.34 | 0.69 | 0.36 | 0.31 | 0.45 | NA | OMP (%): 100.00 | OMP (%): 100.00 | OMP (%): 100.00 | OMP (%): 100.00 | OMP (%): 100.00 | OMP (%): 100.00 | OMP (%): 100.00 | | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
►setup_bonded_threading(bonded_threading_t*, int, bool, InteractionDefinitions const&)+ | libgromacs.so.8 | 0 | 0 | 0 | 0.04 | 0.02 | 0.02 | 0.01 | 0.01 | 0 | 0 | 0 | 0.13 | 0.06 | 0.1 | 0.09 | 0.09 | 0 | 0 | 0 | 0.02 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 1 | 1 | 1 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | NA | NA | NA | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I... | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
►Loop 15814 - manage_threading.cpp:306-320 - libgromacs.so.8 [...]+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 15813 - utilities.h:57-57 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 15816 - manage_threading.cpp:313-318 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 15815 - manage_threading.cpp:313-318 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 15824 - manage_threading.cpp:91-99 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 15817 - manage_threading.cpp:91-99 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 15826 - manage_threading.cpp:195-292 - libgromacs.so.8 [...]+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 15825 - utilities.h:57-57 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 15828 - manage_threading.cpp:247-247 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 15827 - manage_threading.cpp:247-247 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 15829 - manage_threading.cpp:260-274 - libgromacs.so.8 [...]+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 15830 - manage_threading.cpp:270-274 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 15818 - manage_threading.cpp:114-177 - libgromacs.so.8 [...]+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 15819 - manage_threading.cpp:175-177 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 15820 - manage_threading.cpp:175-177 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 15821 - manage_threading.cpp:127-175 - libgromacs.so.8 [...]+ | | 0 | 0 | 0 | 0.01 | 0.01 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 0.04 | 0.03 | 0.04 | 0.04 | 0.06 | 0 | 0 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 1 | 1 | 1 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
○Loop 15822 - manage_threading.cpp:144-146 - libgromacs.so.8 | | 0 | 0 | 0 | 0.03 | 0.01 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 0.08 | 0.03 | 0.06 | 0.05 | 0.03 | 0 | 0 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 1 | 1 | 1 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
○Loop 15823 - manage_threading.cpp:144-162 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○kmp_flag_native<unsigned long long, (flag_type)1, true>::notdone_check() | libiomp5.so | 0 | 0.09 | 0.11 | 0.16 | 0.28 | 0.45 | 0.7 | 0.97 | 0 | 0.21 | 0.16 | 0.1 | 0.1 | 0.11 | 0.11 | 0.24 | 0 | 0.13 | 0.08 | 0.06 | 0.06 | 0.06 | 0.07 | 0.13 | 0 | 2 | 4 | 8 | 16 | 32 | 64 | 128 | 0.00 | 0.08 | 0.07 | 0.06 | 0.10 | 0.14 | 0.20 | 0.35 | 0.00 | 0.11 | 0.05 | 0.02 | 0.02 | 0.02 | 0.02 | 0.04 | NA | OMP (%): 100.00 | OMP (%): 100.00 | OMP (%): 100.00 | OMP (%): 100.00 | OMP (%): 100.00 | OMP (%): 100.00 | OMP (%): 100.00 | | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
►set_pbc_simd(t_pbc const*, float*)+ | libgromacs.so.8 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 5 | 10 | 31 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.02 | 0.02 | 0.02 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | NA | NA | NA | NA | NA | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I... | | | | | | | | | | | | | | | | |
○Loop 5224 - pbc_simd.cpp:59-61 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 3 | 1 | 11 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 5223 - pbc_simd.cpp:59-61 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►clearForceBuffer(nbnxn_atomdata_t*, int)+ | libgromacs.so.8 | 0 | 0.17 | 0.31 | 0.62 | 0.73 | 1.31 | 3.94 | 8.56 | 0 | 0.28 | 0.25 | 0.3 | 0.22 | 0.31 | 0.62 | 1.87 | 0 | 0.25 | 0.23 | 0.25 | 0.17 | 0.18 | 0.41 | 1.16 | 0 | 2 | 4 | 8 | 16 | 32 | 64 | 128 | 0.00 | 0.04 | 0.05 | 0.10 | 0.15 | 0.43 | 1.25 | 3.48 | 0.00 | 0.06 | 0.03 | 0.04 | 0.03 | 0.06 | 0.12 | 0.45 | NA | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I... | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
○Loop 2070 - kernel_common.cpp:56-76 - libgromacs.so.8 [...] | | 0 | 0.17 | 0.31 | 0.62 | 0.73 | 1.31 | 3.94 | 8.56 | 0 | 0.28 | 0.25 | 0.3 | 0.22 | 0.31 | 0.62 | 1.87 | 0 | 0.25 | 0.23 | 0.25 | 0.17 | 0.18 | 0.41 | 1.16 | 0 | 2 | 4 | 8 | 16 | 32 | 64 | 128 | 0.00 | 0.04 | 0.05 | 0.10 | 0.15 | 0.43 | 1.25 | 3.48 | 0.00 | 0.06 | 0.03 | 0.04 | 0.03 | 0.06 | 0.12 | 0.45 | | | | | | | | | | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
►gmx::ThreadForceBuffer<float [4]>::processMask()+ | libgromacs.so.8 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 7 | 10 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.02 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | NA | NA | NA | NA | NA | NA | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I... | | | | | | | | | | | | | | | | |
○Loop 4889 - stl_vector.h:346-1762 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 7 | 10 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.02 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○_INTERNAL1311483b::__kmp_hyper_barrier_gather(barrier_type, kmp_info*, int, int, void (*)(void*, void*), void*) | libiomp5.so | 0 | 0.09 | 0.32 | 0.29 | 0.31 | 0.34 | 0.33 | 0.35 | 0 | 0.25 | 0.93 | 0.61 | 0.41 | 0.25 | 0.4 | 1.72 | 0 | 0.13 | 0.23 | 0.11 | 0.07 | 0.05 | 0.03 | 0.05 | 0 | 1 | 1 | 5 | 7 | 16 | 32 | 74 | 0.00 | 0.00 | 0.00 | 0.66 | 0.76 | 0.79 | 0.88 | 1.53 | 0.00 | 0.00 | 0.00 | 0.26 | 0.17 | 0.10 | 0.09 | 0.21 | NA | OMP (%): 100.00 | OMP (%): 100.00 | OMP (%): 100.00 | OMP (%): 100.00 | OMP (%): 100.00 | OMP (%): 100.00 | OMP (%): 100.00 | | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
►nbnxn_atomdata_add_nbat_f_to_f_reduce(nbnxn_atomdata_t*, int) [clone .extracted]+ | libgromacs.so.8 | 0 | 0.12 | 0.21 | 0.35 | 0.52 | 0.9 | 2.14 | 3.64 | 0 | 0.2 | 0.18 | 0.18 | 0.16 | 0.18 | 0.31 | 0.79 | 0 | 0.16 | 0.16 | 0.14 | 0.12 | 0.12 | 0.22 | 0.49 | 0 | 2 | 4 | 8 | 16 | 32 | 64 | 128 | 0.00 | 0.04 | 0.03 | 0.08 | 0.11 | 0.21 | 0.54 | 1.48 | 0.00 | 0.05 | 0.02 | 0.03 | 0.02 | 0.03 | 0.05 | 0.19 | NA | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I... | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
►Loop 1930 - atomdata.cpp:1022-1192 - libgromacs.so.8 [...]+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 3 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 1931 - atomdata.cpp:1022-1192 - libgromacs.so.8 [...]+ | | 0 | 0.03 | 0.04 | 0.03 | 0.03 | 0.02 | 0.01 | 0.01 | 0 | 0.05 | 0.04 | 0.02 | 0.02 | 0.01 | 0.02 | 0.01 | 0 | 0.05 | 0.03 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 2 | 4 | 7 | 12 | 14 | 11 | 25 | 0.00 | 0.00 | 0.01 | 0.01 | 0.03 | 0.02 | 0.05 | 0.02 | 0.00 | 0.00 | 0.01 | 0.00 | 0.01 | 0.00 | 0.01 | 0.00 | | | | | | | | | | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
○Loop 1938 - atomdata.cpp:1176-1180 - libgromacs.so.8 [...] | | 0 | 0.03 | 0.03 | 0.06 | 0.04 | 0.02 | 0.03 | 0.01 | 0 | 0.05 | 0.03 | 0.05 | 0.02 | 0.02 | 0.04 | 0.01 | 0 | 0.04 | 0.02 | 0.02 | 0.01 | 0 | 0 | 0 | 0 | 2 | 4 | 8 | 15 | 11 | 22 | 19 | 0.00 | 0.02 | 0.01 | 0.03 | 0.02 | 0.04 | 0.07 | 0.01 | 0.00 | 0.02 | 0.01 | 0.01 | 0.00 | 0.00 | 0.01 | 0.00 | | | | | | | | | | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
○Loop 1939 - atomdata.cpp:1176-1180 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0.04 | 0.1 | 0.19 | 0.23 | 0.18 | 0 | 0 | 0 | 0.03 | 0.06 | 0.06 | 0.05 | 0.06 | 0 | 0 | 0 | 0.01 | 0.02 | 0.03 | 0.02 | 0.02 | 0 | 0 | 0 | 8 | 15 | 32 | 64 | 128 | 0.00 | 0.00 | 0.00 | 0.02 | 0.08 | 0.09 | 0.10 | 0.09 | 0.00 | 0.00 | 0.00 | 0.01 | 0.02 | 0.01 | 0.01 | 0.01 | | | | | | | | | | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
►Loop 1932 - atomdata.cpp:1075-1080 - libgromacs.so.8 [...]+ | | 0 | 0.02 | 0.01 | 0.02 | 0.02 | 0 | 0 | 0 | 0 | 0.04 | 0.02 | 0.03 | 0.02 | 0 | 0.02 | 0.01 | 0 | 0.03 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 0 | 2 | 2 | 4 | 7 | 2 | 3 | 10 | 0.00 | 0.01 | 0.00 | 0.03 | 0.03 | 0.00 | 0.06 | 0.01 | 0.00 | 0.01 | 0.00 | 0.01 | 0.01 | 0.00 | 0.01 | 0.00 | | | | | | | | | | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
○Loop 1934 - atomdata.cpp:1078-1080 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0.01 | 0.04 | 0.08 | 0.08 | 0 | 0 | 0 | 0 | 0 | 0.03 | 0.08 | 0.21 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 4 | 12 | 19 | 25 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.08 | 0.26 | 0.43 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.03 | 0.06 | | | | | | | | | | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
○Loop 1933 - atomdata.cpp:1078-1080 - libgromacs.so.8 [...] | | 0 | 0.02 | 0.04 | 0.06 | 0.07 | 0.1 | 0.11 | 0.03 | 0 | 0.03 | 0.07 | 0.07 | 0.08 | 0.13 | 0.15 | 0.08 | 0 | 0.03 | 0.03 | 0.02 | 0.02 | 0.01 | 0.01 | 0 | 0 | 2 | 4 | 5 | 9 | 9 | 11 | 20 | 0.00 | 0.01 | 0.04 | 0.08 | 0.12 | 0.32 | 0.51 | 0.18 | 0.00 | 0.01 | 0.03 | 0.03 | 0.03 | 0.04 | 0.05 | 0.02 | | | | | | | | | | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
►Loop 1935 - atomdata.cpp:1088-1093 - libgromacs.so.8 [...]+ | | 0 | 0.01 | 0.06 | 0.06 | 0.07 | 0.11 | 0.28 | 0.31 | 0 | 0.04 | 0.1 | 0.05 | 0.03 | 0.05 | 0.09 | 0.17 | 0 | 0.02 | 0.04 | 0.02 | 0.02 | 0.01 | 0.03 | 0.04 | 0 | 1 | 3 | 6 | 14 | 24 | 58 | 115 | 0.00 | 0.00 | 0.05 | 0.03 | 0.04 | 0.09 | 0.22 | 0.25 | 0.00 | 0.00 | 0.04 | 0.01 | 0.01 | 0.01 | 0.02 | 0.03 | | | | | | | | | | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
○Loop 1936 - atomdata.cpp:1091-1093 - libgromacs.so.8 [...] | | 0 | 0 | 0.04 | 0.09 | 0.19 | 0.24 | 0.81 | 0.52 | 0 | 0 | 0.06 | 0.07 | 0.07 | 0.1 | 0.17 | 0.25 | 0 | 0 | 0.03 | 0.04 | 0.04 | 0.03 | 0.08 | 0.07 | 0 | 0 | 3 | 6 | 13 | 29 | 62 | 122 | 0.00 | 0.00 | 0.03 | 0.05 | 0.07 | 0.19 | 0.41 | 0.39 | 0.00 | 0.00 | 0.02 | 0.02 | 0.01 | 0.03 | 0.04 | 0.05 | | | | | | | | | | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
○Loop 1937 - atomdata.cpp:1091-1093 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0.17 | 0.58 | 2.5 | 0 | 0 | 0 | 0 | 0 | 0.06 | 0.2 | 0.7 | 0 | 0 | 0 | 0 | 0 | 0.02 | 0.06 | 0.34 | 0 | 0 | 0 | 0 | 0 | 27 | 59 | 124 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.11 | 0.50 | 1.30 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.05 | 0.17 | | | | | | | | | | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
►calc_vir(int, float const (*) [3], float const (*) [3], float (*) [3], bool, float const (*) [3]) [clone .extracted]+ | libgromacs.so.8 | 0 | 0.03 | 0.04 | 0.06 | 0.03 | 0.02 | 0.01 | 0.01 | 0 | 0.05 | 0.05 | 0.04 | 0.02 | 0.01 | 0.01 | 0.01 | 0 | 0.04 | 0.03 | 0.02 | 0.01 | 0 | 0 | 0 | 0 | 2 | 4 | 8 | 8 | 15 | 15 | 29 | 0.00 | 0.01 | 0.03 | 0.03 | 0.03 | 0.02 | 0.03 | 0.01 | 0.00 | 0.02 | 0.02 | 0.01 | 0.01 | 0.00 | 0.00 | 0.00 | NA | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I... | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
►Loop 13615 - calcvir.cpp:61-120 - libgromacs.so.8 [...]+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 13616 - calcvir.cpp:61-67 - libgromacs.so.8 [...] | | 0 | 0.03 | 0.04 | 0.06 | 0.03 | 0.02 | 0.01 | 0.01 | 0 | 0.05 | 0.05 | 0.04 | 0.02 | 0.01 | 0.01 | 0.01 | 0 | 0.04 | 0.03 | 0.02 | 0.01 | 0 | 0 | 0 | 0 | 2 | 4 | 8 | 8 | 15 | 15 | 26 | 0.00 | 0.01 | 0.03 | 0.03 | 0.03 | 0.02 | 0.03 | 0.01 | 0.00 | 0.02 | 0.02 | 0.01 | 0.01 | 0.00 | 0.00 | 0.00 | | | | | | | | | | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
►Loop 13617 - calcvir.cpp:61-120 - libgromacs.so.8 [...]+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 13618 - calcvir.cpp:61-81 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○gmx_reverse_top_t::hasIntermolecularInteractions() const | libgromacs.so.8 | 0 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 2 | 1 | 0 | 1 | 0 | 2 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | NA | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | NA | libgromacs.so.8 (%): 100.00 | NA | libgromacs.so.8 (%): 100.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I... | | | | | | | | | | | | | | | | |
►rebalanceSimpleLists(gmx::ArrayRef<NbnxnPairlistCpu const>, gmx::ArrayRef<NbnxnPairlistCpu>, gmx::ArrayRef<PairsearchWork>) [clone .extracted]+ | libgromacs.so.8 | 0 | 0 | 0.08 | 0.13 | 0.07 | 0.14 | 0.04 | 0.02 | 0 | 0 | 0.07 | 0.05 | 0.03 | 0.03 | 0.01 | 0.01 | 0 | 0 | 0.06 | 0.05 | 0.02 | 0.02 | 0 | 0 | 0 | 0 | 4 | 8 | 16 | 31 | 39 | 50 | 0.00 | 0.00 | 0.01 | 0.01 | 0.03 | 0.06 | 0.03 | 0.02 | 0.00 | 0.00 | 0.01 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | NA | NA | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I... | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
○Loop 3524 - pairlist.cpp:2998-2998 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 3525 - pairlist.cpp:3724-3829 - libgromacs.so.8 [...]+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 7 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 3526 - pairlist.cpp:3724-3829 - libgromacs.so.8 [...]+ | | 0 | 0 | 0.02 | 0.01 | 0 | 0.01 | 0.01 | 0 | 0 | 0 | 0.02 | 0.01 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0.02 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 4 | 4 | 3 | 7 | 8 | 7 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 3527 - stl_vector.h:1189-1198 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0.01 | 0.02 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 4 | 12 | 11 | 28 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.02 | 0.02 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 3528 - stl_vector.h:1189-1198 - libgromacs.so.8 [...] | | 0 | 0 | 0.05 | 0.12 | 0.06 | 0.11 | 0.02 | 0 | 0 | 0 | 0.05 | 0.05 | 0.02 | 0.03 | 0.01 | 0.01 | 0 | 0 | 0.04 | 0.05 | 0.01 | 0.02 | 0 | 0 | 0 | 0 | 4 | 8 | 16 | 28 | 25 | 12 | 0.00 | 0.00 | 0.01 | 0.02 | 0.03 | 0.04 | 0.02 | 0.02 | 0.00 | 0.00 | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | | | | | | | | | | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
○Loop 3523 - pairlist.cpp:2998-2998 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○__kmp_join_barrier(int) | libiomp5.so | 0 | 0.01 | 0 | 0.01 | 0.01 | 0.02 | 0.02 | 0.02 | 0 | 0.01 | 0 | 0.01 | 0 | 0.01 | 0.01 | 0.01 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 1 | 3 | 6 | 11 | 25 | 48 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.03 | 0.02 | 0.02 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | NA | OMP (%): 100.00 | OMP (%): 100.00 | OMP (%): 100.00 | OMP (%): 100.00 | OMP (%): 100.00 | OMP (%): 100.00 | OMP (%): 100.00 | | | | | | | | | | | | | | | | | |
►spread_on_grid(gmx_pme_t const*, PmeAtomComm*, pmegrids_t const*, bool, bool, float*, bool, int) [clone .extracted]+ | libgromacs.so.8 | 0 | 0.21 | 0.24 | 0.37 | 0.96 | 0.87 | 0.93 | 1.54 | 0 | 0.31 | 0.22 | 0.17 | 0.29 | 0.16 | 0.16 | 0.33 | 0 | 0.3 | 0.18 | 0.15 | 0.22 | 0.12 | 0.1 | 0.21 | 0 | 2 | 4 | 8 | 16 | 32 | 64 | 128 | 0.00 | 0.01 | 0.04 | 0.04 | 0.21 | 0.15 | 0.28 | 0.64 | 0.00 | 0.02 | 0.03 | 0.02 | 0.05 | 0.02 | 0.03 | 0.08 | NA | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I... | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
►Loop 16257 - pme_spread.cpp:477-1011 - libgromacs.so.8 [...]+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 2 | 7 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 16258 - pme_spread.cpp:538-702 - libgromacs.so.8 [...]+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 3 | 1 | 1 | 4 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 16259 - pme_spread.cpp:556-702 - libgromacs.so.8 [...]+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 2 | 1 | 3 | 6 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 16260 - pme_spread.cpp:574-702 - libgromacs.so.8 [...]+ | | 0 | 0 | 0 | 0 | 0 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 0.01 | 0.01 | 0 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 2 | 5 | 14 | 15 | 0.00 | 0.00 | 0.00 | 0.00 | 0.02 | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 16276 - pme_spread.cpp:635-702 - libgromacs.so.8 [...]+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 16277 - pme_spread.cpp:685-702 - libgromacs.so.8 [...]+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 16278 - pme_spread.cpp:700-702 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 16279 - pme_spread.cpp:700-702 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 16273 - pme_spread.cpp:635-695 - libgromacs.so.8 [...]+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 16274 - pme_spread.cpp:685-695 - libgromacs.so.8 [...]+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 16275 - pme_spread.cpp:693-695 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 16270 - pme_spread.cpp:635-695 - libgromacs.so.8 [...]+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 16272 - pme_spread.cpp:685-695 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 16271 - pme_spread.cpp:685-695 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 16261 - pme_spread.cpp:633-641 - libgromacs.so.8+ | | 0 | 0 | 0 | 0.01 | 0.01 | 0 | 0.02 | 0.01 | 0 | 0 | 0 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 1 | 6 | 5 | 3 | 18 | 26 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.02 | 0.04 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 16263 - pme_spread.cpp:635-641 - libgromacs.so.8+ | | 0 | 0.04 | 0.04 | 0.02 | 0.06 | 0.07 | 0.04 | 0.04 | 0 | 0.05 | 0.04 | 0.02 | 0.03 | 0.03 | 0.02 | 0.03 | 0 | 0.05 | 0.03 | 0.01 | 0.01 | 0.01 | 0 | 0.01 | 0 | 2 | 4 | 8 | 15 | 25 | 37 | 83 | 0.00 | 0.01 | 0.01 | 0.01 | 0.04 | 0.05 | 0.04 | 0.04 | 0.00 | 0.01 | 0.01 | 0.00 | 0.01 | 0.01 | 0.00 | 0.01 | | | | | | | | | | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
○Loop 16264 - pme_spread.cpp:639-641 - libgromacs.so.8 | | 0 | 0.02 | 0.04 | 0.09 | 0.12 | 0.21 | 0.37 | 0.56 | 0 | 0.03 | 0.04 | 0.04 | 0.04 | 0.05 | 0.08 | 0.22 | 0 | 0.03 | 0.03 | 0.03 | 0.03 | 0.03 | 0.04 | 0.08 | 0 | 2 | 4 | 8 | 15 | 32 | 64 | 128 | 0.00 | 0.01 | 0.02 | 0.02 | 0.06 | 0.09 | 0.16 | 0.38 | 0.00 | 0.01 | 0.02 | 0.01 | 0.01 | 0.01 | 0.02 | 0.05 | | | | | | | | | | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
○Loop 16265 - pme_spread.cpp:639-641 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 16262 - pme_spread.cpp:639-641 - libgromacs.so.8 | | 0 | 0.15 | 0.16 | 0.25 | 0.76 | 0.58 | 0.47 | 0.91 | 0 | 0.22 | 0.15 | 0.14 | 0.23 | 0.13 | 0.1 | 0.3 | 0 | 0.22 | 0.12 | 0.1 | 0.17 | 0.08 | 0.05 | 0.12 | 0 | 2 | 4 | 8 | 16 | 32 | 64 | 128 | 0.00 | 0.00 | 0.03 | 0.05 | 0.16 | 0.13 | 0.23 | 0.52 | 0.00 | 0.01 | 0.02 | 0.02 | 0.04 | 0.02 | 0.02 | 0.07 | | | | | | | | | | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
►Loop 16266 - pme_spread.cpp:635-695 - libgromacs.so.8 [...]+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 16268 - pme_spread.cpp:685-695 - libgromacs.so.8 [...]+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 16267 - pme_spread.cpp:693-695 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 16269 - pme_spread.cpp:693-695 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 16280 - pme_spread.cpp:635-702 - libgromacs.so.8 [...]+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
►Loop 16281 - pme_spread.cpp:685-702 - libgromacs.so.8 [...]+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○Loop 16282 - pme_spread.cpp:700-702 - libgromacs.so.8 | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○__kmp_finish_implicit_task | libiomp5.so | 0 | 0 | 0 | 0.01 | 0 | 0 | 0 | 0.01 | 0 | 0 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 3 | 2 | 3 | 5 | 20 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | NA | NA | NA | OMP (%): 100.00 | OMP (%): 100.00 | OMP (%): 100.00 | OMP (%): 100.00 | OMP (%): 100.00 | | | | | | | | | | | | | | | | | |
○__kmp_invoke_microtask | libiomp5.so | 0 | 0 | 0 | 0.01 | 0.02 | 0.02 | 0.03 | 0.02 | 0 | 0 | 0 | 0.01 | 0.01 | 0.01 | 0.02 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 3 | 8 | 11 | 25 | 63 | 0.00 | 0.00 | 0.00 | 0.01 | 0.02 | 0.02 | 0.04 | 0.02 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | NA | NA | NA | OMP (%): 100.00 | OMP (%): 100.00 | OMP (%): 100.00 | OMP (%): 100.00 | OMP (%): 100.00 | | | | | | | | | | | | | | | | | |
►gmx::lincs_update_atoms_ind(gmx::ArrayRef<int const>, gmx::ArrayRef<(anonymous namespace)::AtomPair const>, float, gmx::ArrayRef<float const>, gmx::ArrayRef<gmx::BasicVector<float> const>, gmx::ArrayRef<float const>, flo...+ | libgromacs.so.8 | 0 | 0.39 | 0.53 | 0.46 | 0.6 | 0.6 | 0.59 | 0.56 | 0 | 0.56 | 0.53 | 0.26 | 0.19 | 0.13 | 0.1 | 0.16 | 0 | 0.55 | 0.39 | 0.18 | 0.14 | 0.08 | 0.06 | 0.08 | 0 | 2 | 4 | 8 | 16 | 32 | 64 | 128 | 0.00 | 0.01 | 0.14 | 0.11 | 0.16 | 0.16 | 0.21 | 0.18 | 0.00 | 0.01 | 0.10 | 0.04 | 0.04 | 0.02 | 0.02 | 0.02 | NA | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | libgromacs.so.8 (%): 100.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I... | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
○Loop 14203 - lincs.cpp:425-440 - libgromacs.so.8 [...] | | 0 | 0.39 | 0.53 | 0.46 | 0.6 | 0.6 | 0.59 | 0.56 | 0 | 0.55 | 0.53 | 0.26 | 0.19 | 0.13 | 0.1 | 0.16 | 0 | 0.55 | 0.39 | 0.18 | 0.14 | 0.08 | 0.06 | 0.08 | 0 | 2 | 4 | 8 | 16 | 32 | 64 | 128 | 0.00 | 0.01 | 0.14 | 0.11 | 0.16 | 0.16 | 0.21 | 0.18 | 0.00 | 0.01 | 0.10 | 0.04 | 0.04 | 0.02 | 0.02 | 0.02 | | | | | | | | | | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
○Loop 14202 - lincs.cpp:445-458 - libgromacs.so.8 [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | | | |
○bool _INTERNAL1311483b::__kmp_wait_template<kmp_flag_64<false, true>, true, false, true>(kmp_info*, kmp_flag_64<false, true>*, void*) | libiomp5.so | 0 | 0.48 | 3 | 6.2 | 12.19 | 18.45 | 28.11 | 40.25 | 0 | 1.33 | 3.53 | 3.78 | 3.78 | 3.2 | 3.56 | 8.13 | 0 | 0.67 | 2.22 | 2.48 | 2.8 | 2.55 | 2.95 | 5.45 | 0 | 1 | 3 | 7 | 15 | 31 | 63 | 127 | 0.00 | 0.00 | 0.79 | 2.50 | 2.60 | 2.94 | 3.41 | 12.68 | 0.00 | 0.00 | 0.58 | 0.98 | 0.58 | 0.38 | 0.33 | 1.61 | NA | OMP (%): 100.00 | OMP (%): 100.00 | OMP (%): 100.00 | OMP (%): 100.00 | OMP (%): 100.00 | OMP (%): 100.00 | OMP (%): 100.00 | | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
○expf | gmx | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0.01 | 0 | 0.01 | 0 | 0 | 0.01 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 1 | 0 | 0 | 1 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | NA | Math (%): 100.00 | Math (%): 100.00 | NA | Math (%): 100.00 | NA | NA | Math (%): 100.00 | | | | | | | | | | | | | | | | | |