Run 1x1 | Number processes: 1Number nodes: 1Number processes per node: 1Run Command: <executable> mdrun -s ion_channel.tpr -nsteps 10000 --resetstep 8000 -pin on -deffnm gccMPI Command: mpirun -n <number_processes> --bind-to coreDataset: Run Directory: /home/eoseret/GROMACS/DATA/GROMACS_TestCaseAOMP_NUM_THREADS: 1 |
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Run 2x1 | Number processes: 2Number processes per node: 2 |
Run 4x1 | Number processes: 4Number processes per node: 4 |
Run 8x1 | Number processes: 8Number processes per node: 8 |
Run 16x1 | Number processes: 16Number processes per node: 16 |
Run 32x1 | Number processes: 32Number processes per node: 32 |
Run 64x1 | Number processes: 64Number processes per node: 64 |
Name | Module | Coverage 1x1 (%) | Coverage 2x1 (%) | Coverage 4x1 (%) | Coverage 8x1 (%) | Coverage 16x1 (%) | Coverage 32x1 (%) | Coverage 64x1 (%) | Max Time Over Threads 1x1 (s) | Max Time Over Threads 2x1 (s) | Max Time Over Threads 4x1 (s) | Max Time Over Threads 8x1 (s) | Max Time Over Threads 16x1 (s) | Max Time Over Threads 32x1 (s) | Max Time Over Threads 64x1 (s) | Time w.r.t. Wall Time 1x1 (s) | Time w.r.t. Wall Time 2x1 (s) | Time w.r.t. Wall Time 4x1 (s) | Time w.r.t. Wall Time 8x1 (s) | Time w.r.t. Wall Time 16x1 (s) | Time w.r.t. Wall Time 32x1 (s) | Time w.r.t. Wall Time 64x1 (s) | Nb Threads 1x1 | Nb Threads 2x1 | Nb Threads 4x1 | Nb Threads 8x1 | Nb Threads 16x1 | Nb Threads 32x1 | Nb Threads 64x1 | Deviation (coverage) 1x1 | Deviation (coverage) 2x1 | Deviation (coverage) 4x1 | Deviation (coverage) 8x1 | Deviation (coverage) 16x1 | Deviation (coverage) 32x1 | Deviation (coverage) 64x1 | Deviation (walltime) 1x1 | Deviation (walltime) 2x1 | Deviation (walltime) 4x1 | Deviation (walltime) 8x1 | Deviation (walltime) 16x1 | Deviation (walltime) 32x1 | Deviation (walltime) 64x1 | Categories 1x1 | Categories 2x1 | Categories 4x1 | Categories 8x1 | Categories 16x1 | Categories 32x1 | Categories 64x1 | Compilation Options | (1x1) Efficiency | (1x1) Potential Speed-Up (%) | (2x1) Efficiency | (2x1) Potential Speed-Up (%) | (4x1) Efficiency | (4x1) Potential Speed-Up (%) | (8x1) Efficiency | (8x1) Potential Speed-Up (%) | (16x1) Efficiency | (16x1) Potential Speed-Up (%) | (32x1) Efficiency | (32x1) Potential Speed-Up (%) | (64x1) Efficiency | (64x1) 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_mpi.so.7.0.0 | 66.98 | 66.03 | 65.61 | 64.64 | 60.74 | 52.68 | 49 | 1249.97 | 638.38 | 332.29 | 172.17 | 88.74 | 60.89 | 32.06 | 1249.97 | 634.41 | 324.89 | 168.74 | 84.98 | 44 | 23.2 | 1 | 2 | 4 | 8 | 16 | 24 | 48 | 0.00 | 0.60 | 1.10 | 0.99 | 1.88 | 2.03 | 2.22 | 0.00 | 5.67 | 5.46 | 2.67 | 2.71 | 1.74 | 1.10 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | GNU C++17 11.1.0 -march=armv8.2-a+sve -msve-vector-bits=256 -mlittle-endian -mabi=lp64 -g -O3 -O3 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fasynchronous-unwind-tables -fstack-protect... | 1 | 0 | 0.99 | 0.98 | 0.96 | 2.5 | 0.93 | 4.79 | 0.92 | 4.9 | 0.89 | 5.91 | 0.84 | 7.75 |
○Loop 1342 - kernel_outer.h:624-624 - libgromacs_mpi.so.7.0.0 [...] | 1.36 | 1.28 | 1.28 | 1.24 | 1.28 | 0.99 | 0.98 | 25.32 | 12.93 | 8.23 | 4.59 | 8.49 | 4.55 | 3.23 | 25.32 | 12.34 | 6.35 | 3.25 | 1.78 | 0.83 | 0.46 | 1 | 2 | 4 | 8 | 8 | 14 | 19 | 0.00 | 0.09 | 0.43 | 0.38 | 2.64 | 2.18 | 2.13 | 0.00 | 0.84 | 2.12 | 0.99 | 3.67 | 1.82 | 1.00 | 1 | 0 | 1.03 | 0 | 1 | 0 | 0.97 | 0.03 | 0.89 | 0.14 | 0.95 | 0.05 | 0.86 | 0.14 | |||||||||
○Loop 1341 - kernel_outer.h:618-621 - libgromacs_mpi.so.7.0.0 [...] | 0.13 | 0.14 | 0.13 | 0.12 | 0.12 | 0.1 | 0.09 | 2.45 | 1.44 | 0.98 | 0.51 | 0.87 | 0.48 | 0.34 | 2.45 | 1.36 | 0.63 | 0.33 | 0.16 | 0.08 | 0.04 | 1 | 2 | 4 | 8 | 8 | 9 | 18 | 0.00 | 0.01 | 0.06 | 0.05 | 0.24 | 0.20 | 0.19 | 0.00 | 0.12 | 0.29 | 0.14 | 0.33 | 0.17 | 0.09 | 1 | 0 | 0.9 | 0.01 | 0.97 | 0 | 0.93 | 0.01 | 0.96 | 0.01 | 0.96 | 0 | 0.96 | 0 | |||||||||
►Loop 1335 - impl_arm_sve_util_float.h:273-281 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
►Loop 1336 - kernel_outer.h:353-657 - libgromacs_mpi.so.7.0.0 [...] | 2.1 | 2.25 | 2.59 | 3.22 | 2.92 | 3.07 | 3.32 | 39.19 | 21.72 | 13.05 | 8.71 | 4.42 | 3.88 | 2.32 | 39.19 | 21.58 | 12.83 | 8.39 | 4.08 | 2.56 | 1.57 | 1 | 2 | 4 | 8 | 16 | 24 | 48 | 0.00 | 0.02 | 0.07 | 0.09 | 0.19 | 0.24 | 0.25 | 0.00 | 0.19 | 0.33 | 0.24 | 0.26 | 0.20 | 0.12 | 1 | 0 | 0.91 | 0.21 | 0.76 | 0.61 | 0.58 | 1.34 | 0.6 | 1.17 | 0.48 | 1.6 | 0.39 | 2.03 | |||||||||
○Loop 1339 - kernel_outer.h:590-590 - libgromacs_mpi.so.7.0.0 [...] | 43.61 | 42.8 | 42.24 | 41.08 | 39.32 | 33.62 | 31.39 | 813.87 | 441.88 | 266.82 | 139.8 | 79.65 | 54.67 | 28.59 | 813.87 | 411.26 | 209.17 | 107.24 | 55.02 | 28.08 | 14.86 | 1 | 2 | 4 | 8 | 16 | 24 | 48 | 0.00 | 4.52 | 8.43 | 8.44 | 12.00 | 13.19 | 14.17 | 0.00 | 43.35 | 41.72 | 22.07 | 16.80 | 11.02 | 6.71 | 1 | 0 | 0.99 | 0.45 | 0.97 | 1.15 | 0.95 | 2.11 | 0.92 | 2.97 | 0.91 | 3.17 | 0.86 | 4.53 | |||||||||
○Loop 1337 - kernel_outer.h:608-608 - libgromacs_mpi.so.7.0.0 [...] | 16.68 | 16.46 | 16.32 | 16.04 | 14.36 | 12.56 | 11.07 | 311.3 | 184.65 | 112.08 | 63.43 | 36.41 | 27.48 | 19.11 | 311.3 | 158.12 | 80.82 | 41.87 | 20.1 | 10.49 | 5.24 | 1 | 2 | 4 | 8 | 16 | 24 | 48 | 0.00 | 3.91 | 7.43 | 7.54 | 8.76 | 9.95 | 10.77 | 0.00 | 37.54 | 36.77 | 19.63 | 12.20 | 8.29 | 5.06 | 1 | 0 | 0.98 | 0.26 | 0.96 | 0.6 | 0.93 | 1.13 | 0.97 | 0.46 | 0.93 | 0.91 | 0.93 | 0.79 | |||||||||
○Loop 1340 - impl_arm_sve_simd_float.h:83-555 - libgromacs_mpi.so.7.0.0 [...] | 1.6 | 1.61 | 1.57 | 1.52 | 1.46 | 1.24 | 1.13 | 29.89 | 16.64 | 9.84 | 5.21 | 2.74 | 1.97 | 1.08 | 29.89 | 15.45 | 7.78 | 3.96 | 2.05 | 1.04 | 0.53 | 1 | 2 | 4 | 8 | 16 | 24 | 48 | 0.00 | 0.17 | 0.30 | 0.31 | 0.32 | 0.43 | 0.48 | 0.00 | 1.68 | 1.51 | 0.80 | 0.45 | 0.36 | 0.23 | 1 | 0 | 0.97 | 0.05 | 0.96 | 0.06 | 0.94 | 0.09 | 0.91 | 0.13 | 0.9 | 0.13 | 0.88 | 0.13 | |||||||||
○Loop 1338 - impl_arm_sve_simd_float.h:83-555 - libgromacs_mpi.so.7.0.0 [...] | 1.46 | 1.45 | 1.44 | 1.37 | 1.23 | 1.07 | 0.97 | 27.26 | 15.99 | 9.8 | 5.28 | 3.06 | 2.35 | 1.79 | 27.26 | 13.95 | 7.12 | 3.58 | 1.72 | 0.89 | 0.46 | 1 | 2 | 4 | 8 | 16 | 24 | 47 | 0.00 | 0.30 | 0.67 | 0.64 | 0.76 | 0.86 | 0.99 | 0.00 | 2.89 | 3.34 | 1.67 | 1.05 | 0.72 | 0.46 | 1 | 0 | 0.98 | 0.03 | 0.96 | 0.06 | 0.95 | 0.07 | 0.99 | 0.01 | 0.96 | 0.05 | 0.93 | 0.07 | |||||||||
►nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*) | libgromacs_mpi.so.7.0.0 | 9.87 | 9.72 | 9.65 | 9.49 | 8.91 | 7.72 | 7.19 | 184.27 | 93.9 | 48.78 | 25.24 | 12.93 | 8.96 | 4.72 | 184.27 | 93.42 | 47.78 | 24.77 | 12.47 | 6.45 | 3.41 | 1 | 2 | 4 | 8 | 16 | 24 | 48 | 0.00 | 0.07 | 0.15 | 0.12 | 0.25 | 0.29 | 0.31 | 0.00 | 0.69 | 0.73 | 0.31 | 0.36 | 0.25 | 0.15 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | GNU C++17 11.1.0 -march=armv8.2-a+sve -msve-vector-bits=256 -mlittle-endian -mabi=lp64 -g -O3 -O3 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fasynchronous-unwind-tables -fstack-protect... | 1 | 0 | 0.99 | 0.13 | 0.96 | 0.35 | 0.93 | 0.67 | 0.92 | 0.68 | 0.89 | 0.83 | 0.84 | 1.12 |
○Loop 1348 - kernel_outer.h:590-590 - libgromacs_mpi.so.7.0.0 [...] | 6.45 | 6.32 | 6.23 | 6.08 | 5.84 | 4.99 | 4.63 | 120.34 | 65.34 | 39.23 | 20.82 | 11.69 | 8.05 | 4.33 | 120.34 | 60.7 | 30.83 | 15.87 | 8.17 | 4.17 | 2.19 | 1 | 2 | 4 | 8 | 16 | 24 | 48 | 0.00 | 0.68 | 1.23 | 1.26 | 1.76 | 1.94 | 2.13 | 0.00 | 6.56 | 6.11 | 3.29 | 2.46 | 1.62 | 1.01 | 1 | 0 | 0.99 | 0.06 | 0.98 | 0.15 | 0.95 | 0.32 | 0.92 | 0.46 | 0.9 | 0.49 | 0.86 | 0.65 | |||||||||
○Loop 1349 - impl_arm_sve_simd_float.h:83-555 - libgromacs_mpi.so.7.0.0 [...] | 0.25 | 0.25 | 0.23 | 0.25 | 0.23 | 0.2 | 0.17 | 4.75 | 2.68 | 1.46 | 0.77 | 0.45 | 0.36 | 0.18 | 4.75 | 2.43 | 1.13 | 0.65 | 0.32 | 0.16 | 0.08 | 1 | 2 | 4 | 8 | 16 | 24 | 48 | 0.00 | 0.04 | 0.05 | 0.04 | 0.06 | 0.08 | 0.08 | 0.00 | 0.35 | 0.27 | 0.10 | 0.08 | 0.07 | 0.04 | 1 | 0 | 0.98 | 0.01 | 1.05 | 0 | 0.91 | 0.02 | 0.93 | 0.02 | 0.93 | 0.01 | 0.93 | 0.01 | |||||||||
○Loop 1351 - kernel_outer.h:624-624 - libgromacs_mpi.so.7.0.0 [...] | 0.19 | 0.19 | 0.18 | 0.18 | 0.18 | 0.14 | 0.15 | 3.54 | 1.92 | 1.17 | 0.67 | 1.24 | 0.63 | 0.46 | 3.54 | 1.83 | 0.9 | 0.46 | 0.25 | 0.12 | 0.07 | 1 | 2 | 4 | 8 | 8 | 10 | 20 | 0.00 | 0.01 | 0.06 | 0.05 | 0.38 | 0.27 | 0.31 | 0.00 | 0.12 | 0.28 | 0.14 | 0.52 | 0.22 | 0.15 | 1 | 0 | 0.97 | 0.01 | 0.98 | 0 | 0.96 | 0.01 | 0.89 | 0.02 | 0.92 | 0.01 | 0.79 | 0.03 | |||||||||
○Loop 1350 - kernel_outer.h:618-621 - libgromacs_mpi.so.7.0.0 [...] | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.01 | 0.01 | 0.38 | 0.23 | 0.14 | 0.09 | 0.12 | 0.08 | 0.06 | 0.38 | 0.19 | 0.1 | 0.05 | 0.02 | 0.01 | 0.01 | 1 | 2 | 4 | 8 | 6 | 8 | 15 | 0.00 | 0.01 | 0.01 | 0.01 | 0.04 | 0.03 | 0.03 | 0.00 | 0.06 | 0.03 | 0.03 | 0.05 | 0.02 | 0.01 | 1 | 0 | 1 | 0 | 0.95 | 0 | 0.95 | 0 | 1.19 | 0 | 1.19 | 0 | 0.59 | 0 | |||||||||
►Loop 1343 - impl_arm_sve_util_float.h:273-281 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
►Loop 1344 - kernel_outer.h:353-657 - libgromacs_mpi.so.7.0.0 [...] | 0.19 | 0.22 | 0.27 | 0.31 | 0.28 | 0.29 | 0.31 | 3.56 | 2.16 | 1.36 | 0.87 | 0.47 | 0.4 | 0.25 | 3.56 | 2.11 | 1.31 | 0.81 | 0.39 | 0.24 | 0.15 | 1 | 2 | 4 | 8 | 16 | 24 | 48 | 0.00 | 0.01 | 0.01 | 0.02 | 0.03 | 0.05 | 0.06 | 0.00 | 0.08 | 0.05 | 0.06 | 0.04 | 0.04 | 0.03 | 1 | 0 | 0.84 | 0.03 | 0.68 | 0.09 | 0.55 | 0.14 | 0.57 | 0.12 | 0.46 | 0.16 | 0.37 | 0.2 | |||||||||
○Loop 1345 - kernel_outer.h:608-608 - libgromacs_mpi.so.7.0.0 [...] | 2.51 | 2.47 | 2.46 | 2.39 | 2.12 | 1.88 | 1.72 | 46.84 | 28.05 | 17.12 | 9.17 | 5.47 | 4 | 2.82 | 46.84 | 23.71 | 12.2 | 6.24 | 2.97 | 1.57 | 0.81 | 1 | 2 | 4 | 8 | 16 | 24 | 48 | 0.00 | 0.64 | 1.10 | 1.12 | 1.30 | 1.48 | 1.64 | 0.00 | 6.13 | 5.46 | 2.92 | 1.82 | 1.23 | 0.77 | 1 | 0 | 0.99 | 0.03 | 0.96 | 0.1 | 0.94 | 0.15 | 0.99 | 0.03 | 0.93 | 0.13 | 0.9 | 0.17 | |||||||||
○Loop 1346 - impl_arm_sve_simd_float.h:83-555 - libgromacs_mpi.so.7.0.0 [...] | 0.22 | 0.22 | 0.22 | 0.22 | 0.2 | 0.17 | 0.15 | 4.2 | 2.37 | 1.45 | 0.81 | 0.66 | 0.41 | 0.33 | 4.2 | 2.12 | 1.1 | 0.57 | 0.29 | 0.14 | 0.07 | 1 | 2 | 4 | 8 | 16 | 24 | 42 | 0.00 | 0.04 | 0.10 | 0.10 | 0.14 | 0.14 | 0.17 | 0.00 | 0.36 | 0.49 | 0.27 | 0.20 | 0.12 | 0.08 | 1 | 0 | 0.99 | 0 | 0.95 | 0.01 | 0.92 | 0.02 | 0.91 | 0.02 | 0.94 | 0.01 | 0.94 | 0.01 | |||||||||
○Loop 1347 - kernel_outer.h:353-657 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 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 | |||||||||||||||||||||||
○Unknown function | anon | 3.83 | 3.78 | 3.62 | 3.48 | 3.27 | 2.73 | 2.37 | 71.52 | 36.49 | 18.21 | 9.37 | 4.92 | 9.28 | 4.81 | 71.52 | 36.35 | 17.93 | 9.1 | 4.58 | 2.28 | 1.12 | 1 | 2 | 4 | 8 | 16 | 8 | 16 | 0.00 | 0.02 | 0.04 | 0.06 | 0.10 | 0.21 | 0.33 | 0.00 | 0.21 | 0.20 | 0.15 | 0.15 | 0.17 | 0.16 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 Others (%): 0.00 | Math (%): 100.00 Others (%): 0.00 | Math (%): 100.00 Others (%): 0.00 | Math (%): 100.00 Others (%): 0.00 | Math (%): 100.00 Others (%): 0.00 | 1 | 0 | 0.98 | 0.06 | 1 | 0.01 | 0.98 | 0.06 | 0.98 | 0.08 | 0.98 | 0.05 | 1 | 0.01 | |
►spread_on_grid(gmx_pme_t const*, PmeAtomComm*, pmegrids_t const*, bool, bool, float*, bool, int) [clone ._omp_fn.1] | libgromacs_mpi.so.7.0.0 | 2.93 | 3.12 | 2.73 | 2.59 | 2.39 | 2 | 1.83 | 54.69 | 33.48 | 14.47 | 7.29 | 3.85 | 7.04 | 4.32 | 54.69 | 30 | 13.51 | 6.75 | 3.35 | 1.67 | 0.86 | 1 | 2 | 4 | 8 | 16 | 8 | 16 | 0.00 | 0.51 | 0.18 | 0.15 | 0.17 | 0.38 | 0.76 | 0.00 | 4.91 | 0.88 | 0.39 | 0.24 | 0.31 | 0.35 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | GNU C++17 11.1.0 -march=armv8.2-a+sve -msve-vector-bits=256 -mlittle-endian -mabi=lp64 -g -O3 -O3 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fasynchronous-unwind-tables -fstack-protect... | 1 | 0 | 0.91 | 0.28 | 1.01 | 0 | 1.01 | 0 | 1.02 | 0 | 1.02 | 0 | 0.99 | 0.01 |
►Loop 20739 - pme_spread.cpp:186-988 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0 | 0.02 | 0 | 0.01 | 0.01 | 0.01 | 0.01 | 0 | 0.01 | 0 | 0.01 | 0 | 0 | 1 | 1 | 3 | 3 | 8 | 1 | 5 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
►Loop 20746 - pme_spread.cpp:277-292 - libgromacs_mpi.so.7.0.0 [...] | 1.63 | 1.9 | 1.58 | 1.52 | 1.36 | 1.18 | 1.06 | 30.49 | 21.56 | 8.41 | 4.31 | 2.25 | 4.2 | 2.89 | 30.49 | 18.22 | 7.82 | 3.96 | 1.9 | 0.99 | 0.5 | 1 | 2 | 4 | 8 | 16 | 8 | 16 | 0.00 | 0.49 | 0.12 | 0.12 | 0.14 | 0.24 | 0.68 | 0.00 | 4.72 | 0.58 | 0.32 | 0.19 | 0.20 | 0.31 | 1 | 0 | 0.84 | 0.31 | 0.97 | 0.04 | 0.96 | 0.06 | 1 | 0 | 0.96 | 0.04 | 0.95 | 0.05 | |||||||||
○Loop 20747 - pme_spread.cpp:291-291 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
►Loop 20748 - pme_spread.cpp:292-292 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 20749 - pme_spread.cpp:292-292 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
►Loop 20740 - pme_spread.cpp:358-400 - libgromacs_mpi.so.7.0.0 [...] | 1.3 | 1.23 | 1.15 | 1.07 | 1.03 | 0.82 | 0.77 | 24.18 | 11.91 | 6.04 | 2.98 | 1.59 | 2.95 | 1.65 | 24.18 | 11.78 | 5.68 | 2.79 | 1.44 | 0.68 | 0.36 | 1 | 2 | 4 | 8 | 16 | 8 | 16 | 0.00 | 0.02 | 0.06 | 0.05 | 0.07 | 0.22 | 0.22 | 0.00 | 0.19 | 0.30 | 0.14 | 0.10 | 0.18 | 0.10 | 1 | 0 | 1.03 | 0 | 1.06 | 0 | 1.08 | 0 | 1.05 | 0 | 1.11 | 0 | 1.05 | 0 | |||||||||
►Loop 20743 - pme_spread.cpp:400-400 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
►Loop 20742 - pme_spread.cpp:400-400 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 20744 - pme_spread.cpp:400-400 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 20745 - pme_spread.cpp:400-400 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 20741 - pme_simd4.h:138-141 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
►Loop 20750 - pme_spread.cpp:188-290 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 20751 - pme_spread.cpp:197-199 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 20752 - pme_spread.cpp:197-199 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
►Loop 20754 - pme_spread.cpp:400-447 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
►Loop 20753 - pme_spread.cpp:441-447 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 20755 - pme_spread.cpp:445-447 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 20756 - pme_spread.cpp:445-447 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
►gather_f_bsplines(gmx_pme_t const*, float const*, bool, PmeAtomComm const*, splinedata_t const*, float) | libgromacs_mpi.so.7.0.0 | 2.91 | 2.82 | 2.71 | 2.6 | 2.4 | 2 | 1.82 | 54.21 | 27.46 | 14.35 | 7.42 | 3.72 | 7.1 | 3.79 | 54.21 | 27.1 | 13.44 | 6.79 | 3.35 | 1.67 | 0.86 | 1 | 2 | 4 | 8 | 16 | 8 | 16 | 0.00 | 0.05 | 0.17 | 0.18 | 0.18 | 0.44 | 0.52 | 0.00 | 0.52 | 0.85 | 0.46 | 0.25 | 0.37 | 0.24 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | GNU C++17 11.1.0 -march=armv8.2-a+sve -msve-vector-bits=256 -mlittle-endian -mabi=lp64 -g -O3 -O3 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fasynchronous-unwind-tables -fstack-protect... | 1 | 0 | 1 | 0 | 1.01 | 0 | 1 | 0.01 | 1.01 | 0 | 1.01 | 0 | 0.98 | 0.03 |
►Loop 20487 - pme_gather.cpp:81-360 - libgromacs_mpi.so.7.0.0 [...] | 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 | 2 | 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 | |||||||||||||||||||||||
►Loop 20481 - arm_neon.h:786-21797 - libgromacs_mpi.so.7.0.0 [...] | 0.25 | 0.27 | 0.26 | 0.25 | 0.22 | 0.19 | 0.17 | 4.74 | 2.63 | 1.31 | 0.78 | 0.39 | 0.69 | 0.38 | 4.74 | 2.58 | 1.29 | 0.66 | 0.3 | 0.16 | 0.08 | 1 | 2 | 4 | 8 | 16 | 8 | 16 | 0.00 | 0.01 | 0.00 | 0.03 | 0.03 | 0.07 | 0.07 | 0.00 | 0.08 | 0.01 | 0.08 | 0.04 | 0.06 | 0.03 | 1 | 0 | 0.92 | 0.02 | 0.92 | 0.02 | 0.9 | 0.03 | 0.99 | 0 | 0.93 | 0.01 | 0.93 | 0.01 | |||||||||
○Loop 20480 - pme_gather.cpp:247-251 - libgromacs_mpi.so.7.0.0 [...] | 1.73 | 1.63 | 1.52 | 1.48 | 1.36 | 1.13 | 1.03 | 32.33 | 16.03 | 8.16 | 4.2 | 2.16 | 4.14 | 2.29 | 32.33 | 15.67 | 7.53 | 3.87 | 1.91 | 0.94 | 0.49 | 1 | 2 | 4 | 8 | 16 | 8 | 16 | 0.00 | 0.05 | 0.11 | 0.10 | 0.10 | 0.33 | 0.40 | 0.00 | 0.52 | 0.55 | 0.26 | 0.15 | 0.27 | 0.18 | 1 | 0 | 1.03 | 0 | 1.07 | 0 | 1.04 | 0 | 1.06 | 0 | 1.07 | 0 | 1.03 | 0 | |||||||||
►Loop 20483 - vectypes.h:102-102 - libgromacs_mpi.so.7.0.0 [...] | 0.62 | 0.61 | 0.61 | 0.57 | 0.53 | 0.42 | 0.4 | 11.55 | 5.97 | 3.27 | 1.67 | 0.97 | 1.57 | 0.84 | 11.55 | 5.91 | 3.01 | 1.5 | 0.75 | 0.35 | 0.19 | 1 | 2 | 4 | 8 | 16 | 8 | 16 | 0.00 | 0.01 | 0.05 | 0.05 | 0.08 | 0.16 | 0.14 | 0.00 | 0.09 | 0.24 | 0.13 | 0.11 | 0.13 | 0.06 | 1 | 0 | 0.98 | 0.01 | 0.96 | 0.02 | 0.96 | 0.02 | 0.96 | 0.02 | 1.03 | 0 | 0.95 | 0.02 | |||||||||
○Loop 20479 - pme_gather.cpp:323-334 - libgromacs_mpi.so.7.0.0 | 0.3 | 0.31 | 0.32 | 0.29 | 0.28 | 0.25 | 0.21 | 5.58 | 2.95 | 1.8 | 0.94 | 0.47 | 1.01 | 0.47 | 5.58 | 2.94 | 1.6 | 0.77 | 0.4 | 0.21 | 0.1 | 1 | 2 | 4 | 8 | 16 | 8 | 16 | 0.00 | 0.00 | 0.03 | 0.04 | 0.04 | 0.09 | 0.11 | 0.00 | 0.01 | 0.14 | 0.10 | 0.05 | 0.08 | 0.05 | 1 | 0 | 0.95 | 0.02 | 0.87 | 0.04 | 0.91 | 0.03 | 0.87 | 0.04 | 0.83 | 0.04 | 0.87 | 0.03 | |||||||||
►Loop 20485 - pme_gather.cpp:103-124 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
►Loop 20484 - pme_gather.cpp:109-124 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 20486 - pme_gather.cpp:116-120 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 20488 - pme_gather.cpp:247-251 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 20482 - pme_gather.cpp:195-259 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 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_mpi.so.7.0.0 | 2.51 | 1.87 | 1.47 | 1.33 | 1.25 | 1.07 | 0.93 | 46.83 | 18.49 | 7.58 | 3.67 | 1.85 | 3.92 | 1.87 | 46.83 | 18.01 | 7.26 | 3.47 | 1.74 | 0.89 | 0.44 | 1 | 2 | 4 | 8 | 16 | 8 | 16 | 0.00 | 0.07 | 0.05 | 0.07 | 0.04 | 0.21 | 0.16 | 0.00 | 0.68 | 0.24 | 0.19 | 0.05 | 0.17 | 0.07 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | GNU C++17 11.1.0 -march=armv8.2-a+sve -msve-vector-bits=256 -mlittle-endian -mabi=lp64 -g -O3 -O3 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fasynchronous-unwind-tables -fstack-protect... | 1 | 0 | 1.3 | 0 | 1.61 | 0 | 1.69 | 0 | 1.68 | 0 | 1.64 | 0 | 1.66 | 0 |
►Loop 20822 - fft5d.cpp:789-1458 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.02 | 0.03 | 0.04 | 0.04 | 0.03 | 0.03 | 0.03 | 0.02 | 0.03 | 0.03 | 0.02 | 0.01 | 0 | 0 | 1 | 2 | 4 | 8 | 15 | 7 | 14 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.02 | 0.00 | 0.00 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 1 | 0 | 0.33 | 0 | 0.17 | 0.01 | 0.13 | 0.01 | 0.13 | 0.01 | 1 | 0 | 1 | 0 | |||||||||
►Loop 20823 - fft5d.cpp:789-820 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0.02 | 0.01 | 0.01 | 0 | 0 | 0 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 0 | 2 | 4 | 1 | 6 | 2 | 5 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
►Loop 20824 - fft5d.cpp:810-820 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0 | 0.01 | 0.01 | 0 | 0.01 | 0 | 0 | 0 | 2 | 3 | 5 | 12 | 7 | 11 | 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 | |||||||||||||||||||||||
►Loop 20825 - fft5d.cpp:814-820 - libgromacs_mpi.so.7.0.0 | 0 | 0.03 | 0.09 | 0.07 | 0.22 | 0.07 | 0.17 | 0 | 0.27 | 0.52 | 0.26 | 0.35 | 0.27 | 0.39 | 0 | 0.25 | 0.46 | 0.2 | 0.31 | 0.06 | 0.08 | 0 | 2 | 4 | 8 | 16 | 8 | 16 | 0.00 | 0.00 | 0.01 | 0.02 | 0.02 | 0.05 | 0.09 | 0.00 | 0.02 | 0.06 | 0.04 | 0.03 | 0.04 | 0.04 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | |||||||||
○Loop 20826 - fft5d.cpp:818-820 - libgromacs_mpi.so.7.0.0 | 0 | 0.26 | 0.15 | 0.15 | 0 | 0.12 | 0 | 0 | 2.77 | 0.85 | 0.44 | 0 | 0.45 | 0 | 0 | 2.51 | 0.77 | 0.39 | 0 | 0.1 | 0 | 0 | 2 | 4 | 8 | 0 | 8 | 0 | 0.00 | 0.04 | 0.01 | 0.01 | 0.00 | 0.06 | 0.00 | 0.00 | 0.36 | 0.06 | 0.03 | 0.00 | 0.05 | 0.00 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | |||||||||
►Loop 20827 - fft5d.cpp:918-949 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.02 | 0.01 | 0.01 | 0.01 | 0 | 0 | 0.01 | 0.02 | 0.01 | 0.01 | 0.01 | 0 | 0 | 0 | 1 | 2 | 2 | 4 | 3 | 4 | 4 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
►Loop 20828 - fft5d.cpp:939-949 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0 | 0 | 0.01 | 0.01 | 0.01 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 3 | 1 | 8 | 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 | |||||||||||||||||||||||
►Loop 20830 - fft5d.cpp:943-949 - libgromacs_mpi.so.7.0.0 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0 | 0.11 | 0.06 | 0.04 | 0.03 | 0.02 | 0.04 | 0.02 | 0.11 | 0.05 | 0.03 | 0.02 | 0.01 | 0 | 0 | 1 | 2 | 4 | 8 | 10 | 8 | 13 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 1 | 0 | 1.1 | 0 | 0.92 | 0 | 0.69 | 0 | 0.69 | 0 | 1 | 0 | 1 | 0 | |||||||||
○Loop 20829 - fft5d.cpp:947-949 - libgromacs_mpi.so.7.0.0 | 0.38 | 0.36 | 0.36 | 0.31 | 0.28 | 0.26 | 0.21 | 7.16 | 3.43 | 1.87 | 0.93 | 0.51 | 1 | 0.43 | 7.16 | 3.43 | 1.76 | 0.81 | 0.4 | 0.22 | 0.1 | 1 | 2 | 4 | 8 | 16 | 8 | 16 | 0.00 | 0.00 | 0.02 | 0.04 | 0.03 | 0.09 | 0.07 | 0.00 | 0.00 | 0.12 | 0.09 | 0.05 | 0.07 | 0.03 | 1 | 0 | 1.04 | 0 | 1.02 | 0 | 1.1 | 0 | 1.12 | 0 | 1.02 | 0 | 1.12 | 0 | |||||||||
►Loop 20831 - fft5d.cpp:854-886 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 3 | 1 | 4 | 1 | 0.00 | 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 | |||||||||||||||||||||||
►Loop 20832 - fft5d.cpp:876-886 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0.02 | 0.02 | 0.02 | 0 | 0.01 | 0 | 0.01 | 0 | 0 | 0 | 0 | 2 | 3 | 6 | 9 | 5 | 12 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | |||||||||||||||||||||||
►Loop 20834 - fft5d.cpp:880-886 - libgromacs_mpi.so.7.0.0 | 0.03 | 0.02 | 0.02 | 0.02 | 0.01 | 0.01 | 0.01 | 0.49 | 0.16 | 0.11 | 0.07 | 0.04 | 0.06 | 0.03 | 0.49 | 0.16 | 0.08 | 0.05 | 0.02 | 0.01 | 0 | 1 | 2 | 4 | 8 | 16 | 8 | 16 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.02 | 0.00 | 0.00 | 0.02 | 0.01 | 0.01 | 0.01 | 0.01 | 1 | 0 | 1.53 | 0 | 1.53 | 0 | 1.22 | 0 | 1.53 | 0 | 1.53 | 0 | 1 | 0 | |||||||||
○Loop 20833 - fft5d.cpp:884-886 - libgromacs_mpi.so.7.0.0 | 2.09 | 1.2 | 0.83 | 0.75 | 0.7 | 0.59 | 0.52 | 39.01 | 11.75 | 4.29 | 2.11 | 1.06 | 2.16 | 1.04 | 39.01 | 11.53 | 4.1 | 1.96 | 0.98 | 0.49 | 0.25 | 1 | 2 | 4 | 8 | 16 | 8 | 16 | 0.00 | 0.03 | 0.04 | 0.04 | 0.03 | 0.14 | 0.11 | 0.00 | 0.32 | 0.18 | 0.11 | 0.04 | 0.12 | 0.05 | 1 | 0 | 1.69 | 0 | 2.38 | 0 | 2.49 | 0 | 2.49 | 0 | 2.49 | 0 | 2.44 | 0 | |||||||||
►nbnxn_kernel_prune_4xn(NbnxnPairlistCpu*, nbnxn_atomdata_t const*, gmx::ArrayRef<gmx::BasicVector<float> const>, float) | libgromacs_mpi.so.7.0.0 | 1.36 | 1.34 | 1.33 | 1.31 | 1.23 | 1.09 | 0.97 | 25.39 | 13.06 | 6.91 | 3.61 | 1.87 | 1.32 | 0.72 | 25.39 | 12.88 | 6.58 | 3.42 | 1.72 | 0.91 | 0.46 | 1 | 2 | 4 | 8 | 16 | 24 | 48 | 0.00 | 0.03 | 0.05 | 0.04 | 0.07 | 0.07 | 0.11 | 0.00 | 0.25 | 0.24 | 0.11 | 0.10 | 0.06 | 0.05 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | GNU C++17 11.1.0 -march=armv8.2-a+sve -msve-vector-bits=256 -mlittle-endian -mabi=lp64 -g -O3 -O3 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fasynchronous-unwind-tables -fstack-protect... | 1 | 0 | 0.99 | 0.02 | 0.96 | 0.05 | 0.93 | 0.09 | 0.92 | 0.1 | 0.87 | 0.14 | 0.86 | 0.13 |
►Loop 1934 - stl_vector.h:919-1798 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
►Loop 1933 - stl_vector.h:919-1798 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 1 | 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 | |||||||||||||||||||||||
►Loop 1930 - kernel_prune.cpp:76-181 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
►Loop 1932 - kernel_prune.cpp:76-181 - libgromacs_mpi.so.7.0.0 [...] | 0.03 | 0.03 | 0.03 | 0.04 | 0.04 | 0.05 | 0.05 | 0.5 | 0.33 | 0.18 | 0.13 | 0.09 | 0.08 | 0.06 | 0.5 | 0.3 | 0.16 | 0.1 | 0.06 | 0.04 | 0.02 | 1 | 2 | 4 | 8 | 16 | 24 | 48 | 0.00 | 0.00 | 0.01 | 0.00 | 0.01 | 0.02 | 0.03 | 0.00 | 0.04 | 0.02 | 0.01 | 0.02 | 0.01 | 0.01 | 1 | 0 | 0.83 | 0 | 0.78 | 0.01 | 0.63 | 0.01 | 0.52 | 0.02 | 0.39 | 0.03 | 0.39 | 0.03 | |||||||||
○Loop 1931 - kernel_prune.cpp:115-181 - libgromacs_mpi.so.7.0.0 [...] | 1.33 | 1.31 | 1.3 | 1.27 | 1.19 | 1.04 | 0.92 | 24.89 | 12.72 | 6.78 | 3.48 | 1.81 | 1.28 | 0.69 | 24.89 | 12.58 | 6.42 | 3.31 | 1.66 | 0.87 | 0.44 | 1 | 2 | 4 | 8 | 16 | 24 | 48 | 0.00 | 0.02 | 0.05 | 0.04 | 0.07 | 0.07 | 0.11 | 0.00 | 0.21 | 0.26 | 0.10 | 0.09 | 0.06 | 0.05 | 1 | 0 | 0.99 | 0.01 | 0.97 | 0.04 | 0.94 | 0.08 | 0.94 | 0.07 | 0.89 | 0.11 | 0.88 | 0.11 | |||||||||
►PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t*, gmx::ListOfLists<int> const&, int, t_nrnb*, SearchCycleCounting*) [clone ._omp_fn.0] | libgromacs_mpi.so.7.0.0 | 1.08 | 1.1 | 1.12 | 1.13 | 1.14 | 1.06 | 0.94 | 20.09 | 10.66 | 5.67 | 3.03 | 1.64 | 1.26 | 0.69 | 20.09 | 10.58 | 5.54 | 2.95 | 1.59 | 0.88 | 0.45 | 1 | 2 | 4 | 8 | 16 | 24 | 48 | 0.00 | 0.01 | 0.02 | 0.02 | 0.03 | 0.05 | 0.08 | 0.00 | 0.11 | 0.11 | 0.04 | 0.03 | 0.04 | 0.04 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | GNU C++17 11.1.0 -march=armv8.2-a+sve -msve-vector-bits=256 -mlittle-endian -mabi=lp64 -g -O3 -O3 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fasynchronous-unwind-tables -fstack-protect... | 1 | 0 | 0.95 | 0.06 | 0.91 | 0.1 | 0.85 | 0.17 | 0.79 | 0.24 | 0.71 | 0.3 | 0.7 | 0.28 |
►Loop 3871 - pairlist.cpp:607-1332 - libgromacs_mpi.so.7.0.0 [...] | 0.01 | 0.01 | 0.01 | 0.01 | 0 | 0 | 0 | 0.12 | 0.07 | 0.04 | 0.02 | 0.01 | 0.01 | 0.01 | 0.12 | 0.06 | 0.03 | 0.02 | 0.01 | 0 | 0 | 1 | 2 | 4 | 8 | 12 | 11 | 13 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.02 | 0.01 | 0.01 | 0.00 | 0.00 | 0.00 | 1 | 0 | 1 | 0 | 1 | 0 | 0.75 | 0 | 0.75 | 0 | 1 | 0 | 1 | 0 | |||||||||
○Loop 3870 - arrayref.h:82-82 - libgromacs_mpi.so.7.0.0 [...] | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0 | 0.22 | 0.09 | 0.08 | 0.06 | 0.03 | 0.02 | 0.01 | 0.22 | 0.08 | 0.05 | 0.03 | 0.02 | 0.01 | 0 | 1 | 2 | 4 | 8 | 15 | 21 | 24 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 0.01 | 0.02 | 0.02 | 0.01 | 0.01 | 0.00 | 1 | 0 | 1.38 | 0 | 1.1 | 0 | 0.92 | 0 | 0.69 | 0 | 0.69 | 0 | 1 | 0 | |||||||||
►Loop 3891 - pairlist.cpp:983-1019 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 3890 - pairlist.cpp:983-993 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 3887 - stl_vector.h:919-1198 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
►Loop 3879 - pairlist.cpp:152-4014 - libgromacs_mpi.so.7.0.0 [...] | 0 | 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 | |||||||||||||||||||||||
►Loop 3865 - pairlist.cpp:152-3518 - libgromacs_mpi.so.7.0.0 [...] | 0.01 | 0.01 | 0.01 | 0.02 | 0.02 | 0.02 | 0.03 | 0.12 | 0.11 | 0.08 | 0.09 | 0.04 | 0.04 | 0.03 | 0.12 | 0.09 | 0.06 | 0.05 | 0.03 | 0.02 | 0.01 | 1 | 2 | 4 | 8 | 16 | 24 | 42 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.01 | 0.02 | 0.00 | 0.03 | 0.02 | 0.02 | 0.01 | 0.01 | 0.01 | 1 | 0 | 0.67 | 0 | 0.5 | 0.01 | 0.3 | 0.01 | 0.25 | 0.01 | 0.19 | 0.02 | 0.19 | 0.02 | |||||||||
►Loop 3846 - pairlist_simd_2xmm.h:62-246 - libgromacs_mpi.so.7.0.0 [...] | 0.05 | 0.05 | 0.04 | 0.04 | 0.04 | 0.03 | 0.03 | 0.95 | 0.44 | 0.29 | 0.12 | 0.08 | 0.05 | 0.04 | 0.95 | 0.44 | 0.22 | 0.1 | 0.06 | 0.02 | 0.01 | 1 | 2 | 4 | 8 | 16 | 24 | 46 | 0.00 | 0.00 | 0.01 | 0.01 | 0.01 | 0.01 | 0.02 | 0.00 | 0.00 | 0.06 | 0.02 | 0.02 | 0.01 | 0.01 | 1 | 0 | 1.08 | 0 | 1.08 | 0 | 1.19 | 0 | 0.99 | 0 | 1.48 | 0 | 1.48 | 0 | |||||||||
►Loop 3845 - stl_vector.h:919-1798 - libgromacs_mpi.so.7.0.0 [...] | 0.05 | 0.05 | 0.05 | 0.05 | 0.06 | 0.05 | 0.05 | 0.94 | 0.53 | 0.31 | 0.15 | 0.1 | 0.09 | 0.05 | 0.95 | 0.5 | 0.27 | 0.13 | 0.08 | 0.04 | 0.02 | 1 | 2 | 4 | 8 | 16 | 24 | 48 | 0.00 | 0.00 | 0.01 | 0.01 | 0.01 | 0.02 | 0.02 | 0.00 | 0.05 | 0.03 | 0.02 | 0.01 | 0.02 | 0.01 | 1 | 0 | 0.95 | 0 | 0.88 | 0.01 | 0.91 | 0 | 0.74 | 0.02 | 0.74 | 0.01 | 0.74 | 0.01 | |||||||||
○Loop 3851 - pairlist_simd_4xm.h:136-195 - libgromacs_mpi.so.7.0.0 [...] | 0.28 | 0.27 | 0.27 | 0.27 | 0.23 | 0.2 | 0.18 | 5.24 | 2.65 | 1.44 | 0.79 | 0.38 | 0.29 | 0.16 | 5.24 | 2.62 | 1.36 | 0.69 | 0.32 | 0.17 | 0.09 | 1 | 2 | 4 | 8 | 16 | 24 | 48 | 0.00 | 0.01 | 0.02 | 0.03 | 0.03 | 0.04 | 0.05 | 0.00 | 0.05 | 0.10 | 0.07 | 0.04 | 0.03 | 0.02 | 1 | 0 | 1 | 0 | 0.96 | 0.01 | 0.95 | 0.01 | 1.02 | 0 | 0.96 | 0.01 | 0.91 | 0.02 | |||||||||
►Loop 3844 - pairlist.cpp:607-3490 - libgromacs_mpi.so.7.0.0 [...] | 0.17 | 0.19 | 0.22 | 0.23 | 0.35 | 0.35 | 0.29 | 3.08 | 1.81 | 1.12 | 0.68 | 0.57 | 0.47 | 0.26 | 3.08 | 1.81 | 1.1 | 0.61 | 0.49 | 0.29 | 0.14 | 1 | 2 | 4 | 8 | 16 | 24 | 48 | 0.00 | 0.00 | 0.00 | 0.02 | 0.04 | 0.05 | 0.09 | 0.00 | 0.01 | 0.02 | 0.06 | 0.05 | 0.04 | 0.04 | 1 | 0 | 0.85 | 0.03 | 0.7 | 0.07 | 0.63 | 0.08 | 0.39 | 0.21 | 0.33 | 0.23 | 0.34 | 0.19 | |||||||||
○Loop 3857 - pairlist.cpp:3408-3409 - libgromacs_mpi.so.7.0.0 | 0.15 | 0.15 | 0.14 | 0.13 | 0.02 | 0.03 | 0.01 | 2.88 | 1.45 | 0.71 | 0.41 | 0.13 | 0.11 | 0.04 | 2.88 | 1.45 | 0.67 | 0.34 | 0.03 | 0.03 | 0 | 1 | 2 | 4 | 8 | 8 | 22 | 13 | 0.00 | 0.00 | 0.01 | 0.02 | 0.04 | 0.04 | 0.03 | 0.00 | 0.01 | 0.05 | 0.06 | 0.05 | 0.03 | 0.01 | 1 | 0 | 0.99 | 0 | 1.07 | 0 | 1.06 | 0 | 6 | 0 | 3 | 0 | 1 | 0 | |||||||||
►Loop 3859 - pairlist.cpp:607-3490 - libgromacs_mpi.so.7.0.0 [...] | 0.01 | 0.01 | 0.01 | 0.01 | 0.02 | 0.02 | 0.02 | 0.21 | 0.17 | 0.09 | 0.04 | 0.04 | 0.05 | 0.04 | 0.21 | 0.13 | 0.06 | 0.03 | 0.03 | 0.02 | 0.01 | 1 | 2 | 4 | 8 | 16 | 24 | 46 | 0.00 | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.02 | 0.00 | 0.06 | 0.02 | 0.01 | 0.01 | 0.01 | 0.01 | 1 | 0 | 0.81 | 0 | 0.88 | 0 | 0.88 | 0 | 0.44 | 0.01 | 0.33 | 0.01 | 0.33 | 0.01 | |||||||||
►Loop 3864 - pairlist_simd_2xmm.h:62-74 - libgromacs_mpi.so.7.0.0 [...] | 0.02 | 0.03 | 0.03 | 0.04 | 0.04 | 0.04 | 0.04 | 0.46 | 0.35 | 0.16 | 0.1 | 0.09 | 0.09 | 0.05 | 0.46 | 0.33 | 0.15 | 0.09 | 0.06 | 0.03 | 0.02 | 1 | 2 | 4 | 8 | 16 | 24 | 48 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.02 | 0.02 | 0.00 | 0.04 | 0.02 | 0.01 | 0.02 | 0.02 | 0.01 | 1 | 0 | 0.7 | 0.01 | 0.77 | 0.01 | 0.64 | 0.01 | 0.48 | 0.02 | 0.48 | 0.02 | 0.36 | 0.03 | |||||||||
►Loop 3868 - pairlist.cpp:1305-1420 - libgromacs_mpi.so.7.0.0 [...] | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.21 | 0.14 | 0.08 | 0.07 | 0.02 | 0.03 | 0.02 | 0.21 | 0.13 | 0.07 | 0.04 | 0.01 | 0.01 | 0 | 1 | 2 | 4 | 8 | 16 | 23 | 35 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.01 | 0.01 | 0.02 | 0.01 | 0.01 | 0.01 | 1 | 0 | 0.81 | 0 | 0.75 | 0 | 0.66 | 0 | 1.31 | 0 | 0.66 | 0 | 1 | 0 | |||||||||
○Loop 3869 - pairlist.cpp:1305-1420 - libgromacs_mpi.so.7.0.0 [...] | 0.04 | 0.05 | 0.05 | 0.06 | 0.04 | 0.04 | 0.04 | 0.78 | 0.46 | 0.26 | 0.18 | 0.1 | 0.07 | 0.05 | 0.78 | 0.45 | 0.24 | 0.14 | 0.06 | 0.03 | 0.02 | 1 | 2 | 4 | 8 | 16 | 24 | 46 | 0.00 | 0.00 | 0.01 | 0.01 | 0.02 | 0.02 | 0.03 | 0.00 | 0.02 | 0.04 | 0.03 | 0.02 | 0.02 | 0.01 | 1 | 0 | 0.87 | 0.01 | 0.81 | 0.01 | 0.7 | 0.02 | 0.81 | 0.01 | 0.81 | 0.01 | 0.61 | 0.02 | |||||||||
○Loop 3860 - pairlist.cpp:1981-1985 - libgromacs_mpi.so.7.0.0 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.2 | 0.08 | 0.05 | 0.04 | 0.04 | 0.02 | 0.02 | 0.2 | 0.08 | 0.04 | 0.02 | 0.02 | 0.01 | 0 | 1 | 2 | 4 | 8 | 16 | 19 | 30 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.01 | 0.00 | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 1 | 0 | 1.25 | 0 | 1.25 | 0 | 1.25 | 0 | 0.63 | 0 | 0.63 | 0 | 1 | 0 | |||||||||
○Loop 3866 - pairlist.cpp:1991-1995 - libgromacs_mpi.so.7.0.0 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0 | 0.01 | 0.12 | 0.12 | 0.05 | 0.04 | 0.02 | 0.01 | 0.01 | 0.12 | 0.1 | 0.04 | 0.01 | 0.01 | 0 | 0 | 1 | 2 | 4 | 8 | 14 | 17 | 23 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.04 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 1 | 0 | 0.6 | 0 | 0.75 | 0 | 1.5 | 0 | 0.75 | 0 | 1 | 0 | 1 | 0 | |||||||||
○Loop 3867 - pairlist.cpp:1998-2000 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.07 | 0.03 | 0.02 | 0.01 | 0.01 | 0.01 | 0.01 | 0.07 | 0.03 | 0.02 | 0.01 | 0 | 0 | 0 | 1 | 2 | 4 | 8 | 7 | 8 | 11 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 1 | 0 | 1.17 | 0 | 0.88 | 0 | 0.88 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | |||||||||
○Loop 3872 - pairlist.cpp:607-1255 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.03 | 0 | 0 | 0 | 0 | 0 | 0 | 0.03 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 2 | 2 | 4 | 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 | |||||||||||||||||||||||
►Loop 3863 - pairlist.cpp:3207-3291 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.07 | 0.01 | 0.01 | 0.02 | 0.01 | 0.01 | 0.01 | 0.07 | 0.02 | 0.01 | 0.01 | 0 | 0 | 0 | 1 | 2 | 3 | 6 | 7 | 11 | 18 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 1 | 0 | 1.75 | 0 | 1.75 | 0 | 0.88 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | |||||||||
►Loop 3862 - pairlist.cpp:3207-3267 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.09 | 0.06 | 0.04 | 0.06 | 0.02 | 0.03 | 0.02 | 0.09 | 0.05 | 0.03 | 0.02 | 0.01 | 0.01 | 0 | 1 | 2 | 4 | 8 | 12 | 22 | 26 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.01 | 0.01 | 0.00 | 0.03 | 0.02 | 0.01 | 0.01 | 0.01 | 0.00 | 1 | 0 | 0.9 | 0 | 0.75 | 0 | 0.56 | 0 | 0.56 | 0 | 0.28 | 0.01 | 1 | 0 | |||||||||
○Loop 3861 - pairlist.cpp:3207-3238 - libgromacs_mpi.so.7.0.0 [...] | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.15 | 0.12 | 0.07 | 0.04 | 0.04 | 0.03 | 0.02 | 0.15 | 0.09 | 0.06 | 0.03 | 0.02 | 0.01 | 0 | 1 | 2 | 4 | 8 | 16 | 21 | 39 | 0.00 | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.01 | 0.00 | 0.05 | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 1 | 0 | 0.83 | 0 | 0.63 | 0 | 0.63 | 0 | 0.47 | 0.01 | 0.47 | 0.01 | 1 | 0 | |||||||||
○Loop 3858 - pairlist.cpp:3393-3394 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0.03 | 0.02 | 0.02 | 0 | 0 | 0.01 | 0.02 | 0.1 | 0.07 | 0.03 | 0 | 0.01 | 0.01 | 0.01 | 0.04 | 0.02 | 0.01 | 0 | 2 | 4 | 8 | 13 | 18 | 36 | 0.00 | 0.00 | 0.00 | 0.00 | 0.02 | 0.02 | 0.02 | 0.00 | 0.00 | 0.01 | 0.01 | 0.03 | 0.02 | 0.01 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | |||||||||
○Loop 3849 - pairlist_simd_4xm.h:204-262 - libgromacs_mpi.so.7.0.0 [...] | 0.09 | 0.09 | 0.08 | 0.08 | 0.09 | 0.08 | 0.07 | 1.66 | 0.91 | 0.46 | 0.28 | 0.2 | 0.14 | 0.09 | 1.66 | 0.89 | 0.39 | 0.21 | 0.13 | 0.06 | 0.03 | 1 | 2 | 4 | 8 | 16 | 24 | 48 | 0.00 | 0.00 | 0.01 | 0.02 | 0.03 | 0.03 | 0.04 | 0.00 | 0.04 | 0.06 | 0.04 | 0.04 | 0.02 | 0.02 | 1 | 0 | 0.93 | 0.01 | 1.06 | 0 | 0.99 | 0 | 0.8 | 0.02 | 0.86 | 0.01 | 0.86 | 0.01 | |||||||||
○Loop 3850 - pairlist_simd_4xm.h:136-146 - libgromacs_mpi.so.7.0.0 [...] | 0.06 | 0.06 | 0.07 | 0.06 | 0.05 | 0.05 | 0.05 | 1.18 | 0.6 | 0.39 | 0.17 | 0.1 | 0.09 | 0.05 | 1.18 | 0.6 | 0.34 | 0.15 | 0.07 | 0.04 | 0.02 | 1 | 2 | 4 | 8 | 16 | 24 | 48 | 0.00 | 0.00 | 0.02 | 0.01 | 0.01 | 0.02 | 0.02 | 0.00 | 0.01 | 0.08 | 0.03 | 0.01 | 0.01 | 0.01 | 1 | 0 | 0.98 | 0 | 0.87 | 0.01 | 0.98 | 0 | 1.05 | 0 | 0.92 | 0 | 0.92 | 0 | |||||||||
○Loop 3848 - pairlist_simd_4xm.h:204-214 - libgromacs_mpi.so.7.0.0 [...] | 0.03 | 0.03 | 0.03 | 0.03 | 0.03 | 0.03 | 0.02 | 0.52 | 0.29 | 0.15 | 0.09 | 0.06 | 0.06 | 0.03 | 0.52 | 0.26 | 0.14 | 0.07 | 0.04 | 0.02 | 0.01 | 1 | 2 | 4 | 8 | 16 | 24 | 45 | 0.00 | 0.01 | 0.00 | 0.01 | 0.01 | 0.02 | 0.01 | 0.00 | 0.05 | 0.02 | 0.02 | 0.01 | 0.01 | 0.01 | 1 | 0 | 1 | 0 | 0.93 | 0 | 0.93 | 0 | 0.81 | 0.01 | 0.81 | 0.01 | 0.81 | 0 | |||||||||
○Loop 3854 - pairlist_simd_2xmm.h:185-231 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 3855 - pairlist_simd_2xmm.h:130-140 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 3853 - pairlist_simd_2xmm.h:185-195 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 3856 - pairlist_simd_2xmm.h:130-176 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 3847 - stl_vector.h:919-1198 - libgromacs_mpi.so.7.0.0 [...] | 0.03 | 0.03 | 0.02 | 0.01 | 0.02 | 0.01 | 0.01 | 0.55 | 0.31 | 0.12 | 0.06 | 0.04 | 0.03 | 0.01 | 0.55 | 0.26 | 0.11 | 0.04 | 0.03 | 0.01 | 0 | 1 | 2 | 4 | 8 | 16 | 23 | 27 | 0.00 | 0.01 | 0.00 | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.07 | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 1 | 0 | 1.06 | 0 | 1.25 | 0 | 1.72 | 0 | 1.15 | 0 | 1.72 | 0 | 1 | 0 | |||||||||
○Loop 3852 - stl_vector.h:919-1198 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 3880 - pairlist.cpp:2778-2781 - libgromacs_mpi.so.7.0.0 | 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 | 1 | 2 | 4 | 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 | |||||||||||||||||||||||
○Loop 3875 - stl_vector.h:1198-1198 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 3881 - pairlist.cpp:2778-2784 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0 | 0 | 0.02 | 0 | 0.01 | 0 | 0.01 | 0 | 0 | 0.01 | 0 | 0 | 1 | 2 | 1 | 0 | 8 | 8 | 12 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 3873 - stl_vector.h:919-1198 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.04 | 0.04 | 0.02 | 0.02 | 0.01 | 0.01 | 0 | 0.04 | 0.03 | 0.02 | 0.01 | 0 | 0 | 0 | 1 | 2 | 4 | 7 | 10 | 14 | 9 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.02 | 0.01 | 0.01 | 0.00 | 0.00 | 0.00 | 1 | 0 | 0.67 | 0 | 0.5 | 0 | 0.5 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | |||||||||
○Loop 3876 - pairlist.cpp:152-152 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.02 | 0.01 | 0.01 | 0.01 | 0.01 | 0 | 0 | 0.02 | 0.01 | 0.01 | 0.01 | 0 | 0 | 0 | 1 | 1 | 3 | 7 | 4 | 8 | 6 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 3877 - stl_vector.h:1198-1198 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 3874 - new_allocator.h:154-154 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.02 | 0 | 0.02 | 0.03 | 0 | 0.01 | 0 | 0.02 | 0.01 | 0.01 | 0.01 | 0 | 0 | 0 | 1 | 2 | 3 | 8 | 4 | 9 | 7 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 3878 - pairlist.cpp:3051-4014 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 3892 - pairlist.cpp:3008-3008 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 3883 - pairlist.cpp:2891-2893 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
►Loop 3889 - pairlist.cpp:1028-1064 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 3888 - pairlist.cpp:1028-1038 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 3843 - new_allocator.h:89-139 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
►Loop 3884 - pairlist.cpp:1432-1648 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
►Loop 3885 - pairlist.cpp:1432-1638 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 3886 - stl_vector.h:1046-1046 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 3882 - pairlist.cpp:2891-2893 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 3893 - pairlist.cpp:3008-3008 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 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)::angles<(BondedKernelFlavor)0>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, float, float*... | libgromacs_mpi.so.7.0.0 | 0.74 | 0.69 | 0.69 | 0.65 | 0.61 | 0.54 | 0.48 | 13.76 | 7.48 | 4.52 | 2.3 | 1.53 | 1.1 | 0.79 | 13.76 | 6.64 | 3.41 | 1.69 | 0.85 | 0.45 | 0.23 | 1 | 2 | 4 | 8 | 16 | 24 | 44 | 0.00 | 0.12 | 0.26 | 0.25 | 0.39 | 0.43 | 0.44 | 0.00 | 1.18 | 1.28 | 0.66 | 0.54 | 0.36 | 0.21 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | GNU C++17 11.1.0 -march=armv8.2-a+sve -msve-vector-bits=256 -mlittle-endian -mabi=lp64 -g -O3 -O3 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fasynchronous-unwind-tables -fstack-protect... | 1 | 0 | 1.04 | 0 | 1.01 | 0 | 1.02 | 0 | 1.01 | 0 | 0.96 | 0.02 | 0.93 | 0.03 |
○Loop 19995 - bonded.cpp:1151-1178 - libgromacs_mpi.so.7.0.0 [...] | 0.74 | 0.69 | 0.69 | 0.65 | 0.61 | 0.53 | 0.47 | 13.74 | 7.47 | 4.52 | 2.29 | 1.52 | 1.1 | 0.78 | 13.74 | 6.63 | 3.4 | 1.69 | 0.85 | 0.45 | 0.22 | 1 | 2 | 4 | 8 | 16 | 24 | 44 | 0.00 | 0.12 | 0.26 | 0.25 | 0.39 | 0.43 | 0.44 | 0.00 | 1.18 | 1.28 | 0.66 | 0.54 | 0.36 | 0.21 | 1 | 0 | 1.04 | 0 | 1.01 | 0 | 1.02 | 0 | 1.01 | 0 | 0.95 | 0.02 | 0.98 | 0.01 | |||||||||
►solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int) | libgromacs_mpi.so.7.0.0 | 0.72 | 0.65 | 0.66 | 0.63 | 0.59 | 0.5 | 0.44 | 13.37 | 6.4 | 3.36 | 1.79 | 0.98 | 1.76 | 0.91 | 13.37 | 6.28 | 3.26 | 1.64 | 0.83 | 0.42 | 0.21 | 1 | 2 | 4 | 8 | 16 | 8 | 16 | 0.00 | 0.02 | 0.02 | 0.03 | 0.06 | 0.10 | 0.11 | 0.00 | 0.17 | 0.07 | 0.09 | 0.08 | 0.08 | 0.05 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | GNU C++17 11.1.0 -march=armv8.2-a+sve -msve-vector-bits=256 -mlittle-endian -mabi=lp64 -g -O3 -O3 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fasynchronous-unwind-tables -fstack-protect... | 1 | 0 | 1.06 | 0 | 1.03 | 0 | 1.02 | 0 | 1.01 | 0 | 0.99 | 0 | 0.99 | 0 |
►Loop 20684 - pme_solve.cpp:234-587 - libgromacs_mpi.so.7.0.0 [...] | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.22 | 0.08 | 0.06 | 0.03 | 0.03 | 0.04 | 0.03 | 0.22 | 0.06 | 0.05 | 0.02 | 0.01 | 0.01 | 0 | 1 | 2 | 4 | 8 | 14 | 8 | 14 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.02 | 0.00 | 0.03 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 1 | 0 | 1.83 | 0 | 1.1 | 0 | 1.38 | 0 | 1.38 | 0 | 0.69 | 0 | 1 | 0 | |||||||||
○Loop 20685 - pme_solve.cpp:499-511 - libgromacs_mpi.so.7.0.0 | 0.08 | 0.08 | 0.07 | 0.07 | 0.07 | 0.06 | 0.05 | 1.56 | 0.82 | 0.38 | 0.22 | 0.15 | 0.2 | 0.17 | 1.56 | 0.81 | 0.36 | 0.17 | 0.1 | 0.05 | 0.02 | 1 | 2 | 4 | 8 | 16 | 8 | 16 | 0.00 | 0.00 | 0.01 | 0.01 | 0.02 | 0.02 | 0.07 | 0.00 | 0.03 | 0.04 | 0.03 | 0.02 | 0.02 | 0.03 | 1 | 0 | 0.96 | 0 | 1.08 | 0 | 1.15 | 0 | 0.97 | 0 | 0.97 | 0 | 1.22 | 0 | |||||||||
►Loop 20676 - pme_solve.cpp:234-586 - libgromacs_mpi.so.7.0.0 [...] | 0.06 | 0.05 | 0.05 | 0.06 | 0.05 | 0.04 | 0.04 | 1.18 | 0.5 | 0.29 | 0.18 | 0.11 | 0.19 | 0.12 | 1.18 | 0.48 | 0.25 | 0.16 | 0.07 | 0.04 | 0.02 | 1 | 2 | 4 | 8 | 16 | 8 | 16 | 0.00 | 0.00 | 0.01 | 0.01 | 0.01 | 0.04 | 0.04 | 0.00 | 0.03 | 0.05 | 0.02 | 0.02 | 0.03 | 0.02 | 1 | 0 | 1.23 | 0 | 1.18 | 0 | 0.92 | 0 | 1.05 | 0 | 0.92 | 0 | 0.92 | 0 | |||||||||
○Loop 20679 - pme_solve.cpp:234-234 - libgromacs_mpi.so.7.0.0 [...] | 0.23 | 0.21 | 0.21 | 0.2 | 0.19 | 0.17 | 0.14 | 4.35 | 2.06 | 1.13 | 0.59 | 0.35 | 0.63 | 0.31 | 4.35 | 2.05 | 1.04 | 0.52 | 0.27 | 0.14 | 0.07 | 1 | 2 | 4 | 8 | 16 | 8 | 16 | 0.00 | 0.00 | 0.02 | 0.03 | 0.03 | 0.06 | 0.08 | 0.00 | 0.01 | 0.08 | 0.07 | 0.04 | 0.05 | 0.04 | 1 | 0 | 1.06 | 0 | 1.05 | 0 | 1.05 | 0 | 1.01 | 0 | 0.97 | 0 | 0.97 | 0 | |||||||||
○Loop 20681 - pme_solve.cpp:534-543 - libgromacs_mpi.so.7.0.0 | 0.07 | 0.07 | 0.06 | 0.06 | 0.06 | 0.04 | 0.04 | 1.37 | 0.63 | 0.35 | 0.21 | 0.1 | 0.17 | 0.11 | 1.37 | 0.63 | 0.31 | 0.15 | 0.08 | 0.03 | 0.02 | 1 | 2 | 4 | 8 | 16 | 8 | 16 | 0.00 | 0.00 | 0.01 | 0.01 | 0.01 | 0.03 | 0.04 | 0.00 | 0.01 | 0.05 | 0.03 | 0.02 | 0.02 | 0.02 | 1 | 0 | 1.09 | 0 | 1.1 | 0 | 1.14 | 0 | 1.07 | 0 | 1.43 | 0 | 1.07 | 0 | |||||||||
○Loop 20678 - pme_solve.cpp:555-561 - libgromacs_mpi.so.7.0.0 | 0.06 | 0.06 | 0.06 | 0.05 | 0.06 | 0.05 | 0.04 | 1.21 | 0.57 | 0.36 | 0.18 | 0.12 | 0.18 | 0.1 | 1.21 | 0.56 | 0.31 | 0.14 | 0.09 | 0.04 | 0.02 | 1 | 2 | 4 | 8 | 16 | 8 | 16 | 0.00 | 0.00 | 0.01 | 0.01 | 0.02 | 0.02 | 0.04 | 0.00 | 0.03 | 0.07 | 0.02 | 0.03 | 0.02 | 0.02 | 1 | 0 | 1.08 | 0 | 0.98 | 0 | 1.08 | 0 | 0.84 | 0.01 | 0.95 | 0 | 0.95 | 0 | |||||||||
○Loop 20683 - pme_solve.cpp:522-531 - libgromacs_mpi.so.7.0.0 | 0.05 | 0.05 | 0.04 | 0.04 | 0.04 | 0.03 | 0.03 | 0.92 | 0.48 | 0.27 | 0.13 | 0.07 | 0.15 | 0.08 | 0.92 | 0.44 | 0.21 | 0.11 | 0.05 | 0.03 | 0.01 | 1 | 2 | 4 | 8 | 16 | 8 | 16 | 0.00 | 0.01 | 0.01 | 0.01 | 0.01 | 0.03 | 0.03 | 0.00 | 0.06 | 0.04 | 0.02 | 0.01 | 0.02 | 0.01 | 1 | 0 | 1.05 | 0 | 1.1 | 0 | 1.05 | 0 | 1.15 | 0 | 0.96 | 0 | 1.44 | 0 | |||||||||
○Loop 20682 - pme_solve.cpp:522-531 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 20677 - pme_solve.cpp:555-561 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 20680 - pme_solve.cpp:534-543 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 20692 - pme_solve.cpp:441-454 - libgromacs_mpi.so.7.0.0 | 0.05 | 0.05 | 0.06 | 0.05 | 0.05 | 0.04 | 0.04 | 1.02 | 0.52 | 0.32 | 0.17 | 0.08 | 0.15 | 0.09 | 1.02 | 0.48 | 0.29 | 0.13 | 0.07 | 0.04 | 0.02 | 1 | 2 | 4 | 8 | 16 | 8 | 16 | 0.00 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.04 | 0.00 | 0.06 | 0.03 | 0.03 | 0.01 | 0.01 | 0.02 | 1 | 0 | 1.06 | 0 | 0.88 | 0.01 | 0.98 | 0 | 0.91 | 0 | 0.8 | 0.01 | 0.8 | 0.01 | |||||||||
○Loop 20691 - pme_solve.cpp:457-470 - libgromacs_mpi.so.7.0.0 | 0.04 | 0.04 | 0.05 | 0.05 | 0.04 | 0.03 | 0.03 | 0.82 | 0.5 | 0.29 | 0.17 | 0.09 | 0.15 | 0.07 | 0.82 | 0.42 | 0.25 | 0.12 | 0.05 | 0.03 | 0.01 | 1 | 2 | 4 | 8 | 16 | 8 | 16 | 0.00 | 0.01 | 0.01 | 0.01 | 0.01 | 0.03 | 0.02 | 0.00 | 0.11 | 0.03 | 0.03 | 0.02 | 0.03 | 0.01 | 1 | 0 | 0.98 | 0 | 0.82 | 0.01 | 0.85 | 0.01 | 1.02 | 0 | 0.85 | 0 | 1.28 | 0 | |||||||||
○Loop 20688 - pme_solve.cpp:234-234 - libgromacs_mpi.so.7.0.0 [...] | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.01 | 0.02 | 0.41 | 0.21 | 0.11 | 0.1 | 0.04 | 0.09 | 0.05 | 0.41 | 0.2 | 0.1 | 0.06 | 0.03 | 0.01 | 0.01 | 1 | 2 | 4 | 8 | 16 | 8 | 16 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.02 | 0.03 | 0.00 | 0.01 | 0.01 | 0.02 | 0.01 | 0.02 | 0.02 | 1 | 0 | 1.02 | 0 | 1.02 | 0 | 0.85 | 0 | 0.85 | 0 | 1.28 | 0 | 0.64 | 0.01 | |||||||||
○Loop 20690 - pme_solve.cpp:473-475 - libgromacs_mpi.so.7.0.0 | 0.01 | 0.01 | 0.01 | 0.01 | 0 | 0 | 0.01 | 0.12 | 0.07 | 0.04 | 0.03 | 0.02 | 0.03 | 0.02 | 0.12 | 0.05 | 0.03 | 0.02 | 0 | 0 | 0 | 1 | 2 | 4 | 7 | 8 | 8 | 14 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.01 | 0.00 | 0.03 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 1 | 0 | 1.2 | 0 | 1 | 0 | 0.75 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | |||||||||
○Loop 20687 - pme_solve.cpp:486-496 - libgromacs_mpi.so.7.0.0 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.19 | 0.13 | 0.06 | 0.05 | 0.03 | 0.06 | 0.03 | 0.19 | 0.1 | 0.06 | 0.03 | 0.02 | 0.01 | 0 | 1 | 2 | 4 | 8 | 16 | 8 | 15 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.02 | 0.02 | 0.00 | 0.04 | 0.01 | 0.01 | 0.01 | 0.02 | 0.01 | 1 | 0 | 0.95 | 0 | 0.79 | 0 | 0.79 | 0 | 0.59 | 0 | 0.59 | 0 | 1 | 0 | |||||||||
○Loop 20689 - pme_solve.cpp:473-475 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 20686 - pme_solve.cpp:486-496 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 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&, gmx::Task const&, gmx::ArrayRef<float const>, gmx::ArrayRef<float>, gmx::ArrayRef<float>, gmx::ArrayRef<float>) [clone .isra.0] | libgromacs_mpi.so.7.0.0 | 0.72 | 0.76 | 0.85 | 0.95 | 0.83 | 0.82 | 0.79 | 13.52 | 7.95 | 5.06 | 3.43 | 2.14 | 1.73 | 1.54 | 13.52 | 7.33 | 4.2 | 2.48 | 1.16 | 0.68 | 0.37 | 1 | 2 | 4 | 8 | 16 | 24 | 45 | 0.00 | 0.09 | 0.24 | 0.31 | 0.51 | 0.68 | 0.79 | 0.00 | 0.88 | 1.20 | 0.81 | 0.72 | 0.56 | 0.37 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | GNU C++17 11.1.0 -march=armv8.2-a+sve -msve-vector-bits=256 -mlittle-endian -mabi=lp64 -g -O3 -O3 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fasynchronous-unwind-tables -fstack-protect... | 1 | 0 | 0.92 | 0.06 | 0.8 | 0.17 | 0.68 | 0.3 | 0.73 | 0.23 | 0.62 | 0.31 | 0.57 | 0.34 |
►Loop 17891 - lincs.cpp:270-287 - libgromacs_mpi.so.7.0.0 | 0 | 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 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
►Loop 17892 - lincs.cpp:276-287 - libgromacs_mpi.so.7.0.0 | 0.03 | 0.03 | 0.04 | 0.04 | 0.04 | 0.03 | 0.04 | 0.57 | 0.3 | 0.23 | 0.2 | 0.13 | 0.09 | 0.09 | 0.57 | 0.3 | 0.18 | 0.12 | 0.05 | 0.03 | 0.02 | 1 | 2 | 4 | 8 | 15 | 22 | 40 | 0.00 | 0.00 | 0.01 | 0.02 | 0.02 | 0.03 | 0.04 | 0.00 | 0.01 | 0.06 | 0.06 | 0.03 | 0.02 | 0.02 | 1 | 0 | 0.95 | 0 | 0.79 | 0.01 | 0.59 | 0.02 | 0.71 | 0.01 | 0.59 | 0.01 | 0.45 | 0.02 | |||||||||
○Loop 17893 - lincs.cpp:282-284 - libgromacs_mpi.so.7.0.0 | 0.15 | 0.16 | 0.17 | 0.19 | 0.18 | 0.17 | 0.17 | 2.8 | 1.6 | 1.08 | 0.78 | 0.47 | 0.39 | 0.4 | 2.81 | 1.52 | 0.84 | 0.5 | 0.25 | 0.14 | 0.08 | 1 | 2 | 4 | 8 | 16 | 22 | 44 | 0.00 | 0.01 | 0.05 | 0.06 | 0.11 | 0.13 | 0.18 | 0.00 | 0.13 | 0.27 | 0.16 | 0.15 | 0.11 | 0.09 | 1 | 0 | 0.92 | 0.01 | 0.84 | 0.03 | 0.7 | 0.06 | 0.7 | 0.05 | 0.63 | 0.06 | 0.55 | 0.08 | |||||||||
►Loop 17886 - lincs.cpp:270-355 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
►Loop 17885 - lincs.cpp:270-355 - libgromacs_mpi.so.7.0.0 [...] | 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 | 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 | |||||||||||||||||||||||
►Loop 17882 - lincs.cpp:270-287 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
►Loop 17883 - lincs.cpp:270-287 - libgromacs_mpi.so.7.0.0 [...] | 0.11 | 0.11 | 0.12 | 0.14 | 0.12 | 0.11 | 0.11 | 2.04 | 1.13 | 0.78 | 0.5 | 0.31 | 0.28 | 0.22 | 2.05 | 1.02 | 0.6 | 0.37 | 0.17 | 0.09 | 0.05 | 1 | 2 | 4 | 8 | 16 | 22 | 41 | 0.00 | 0.02 | 0.03 | 0.05 | 0.08 | 0.09 | 0.10 | 0.00 | 0.16 | 0.15 | 0.13 | 0.11 | 0.08 | 0.05 | 1 | 0 | 1 | 0 | 0.85 | 0.02 | 0.69 | 0.04 | 0.75 | 0.03 | 0.71 | 0.03 | 0.64 | 0.04 | |||||||||
○Loop 17887 - lincs.cpp:282-284 - libgromacs_mpi.so.7.0.0 | 0.43 | 0.47 | 0.52 | 0.57 | 0.5 | 0.5 | 0.48 | 8.09 | 4.91 | 3.11 | 1.95 | 1.28 | 1.05 | 0.82 | 8.09 | 4.48 | 2.58 | 1.49 | 0.7 | 0.42 | 0.23 | 1 | 2 | 4 | 8 | 16 | 24 | 45 | 0.00 | 0.06 | 0.15 | 0.19 | 0.31 | 0.42 | 0.47 | 0.00 | 0.60 | 0.75 | 0.48 | 0.44 | 0.35 | 0.22 | 1 | 0 | 0.9 | 0.05 | 0.78 | 0.11 | 0.68 | 0.18 | 0.72 | 0.14 | 0.6 | 0.2 | 0.55 | 0.22 | |||||||||
○Loop 17884 - lincs.cpp:270-276 - libgromacs_mpi.so.7.0.0 [...] | 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 | 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 | |||||||||||||||||||||||
►Loop 17889 - lincs.cpp:270-340 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
►Loop 17888 - lincs.cpp:322-340 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 17890 - lincs.cpp:332-336 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 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_mpi.so.7.0.0 | 0.69 | 0.66 | 0.62 | 0.58 | 0.55 | 0.48 | 0.42 | 12.85 | 7.49 | 4.6 | 2.48 | 1.46 | 1.12 | 0.76 | 12.85 | 6.35 | 3.08 | 1.51 | 0.77 | 0.4 | 0.2 | 1 | 2 | 4 | 8 | 16 | 23 | 45 | 0.00 | 0.17 | 0.37 | 0.33 | 0.37 | 0.42 | 0.45 | 0.00 | 1.61 | 1.81 | 0.87 | 0.51 | 0.35 | 0.21 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | GNU C++17 11.1.0 -march=armv8.2-a+sve -msve-vector-bits=256 -mlittle-endian -mabi=lp64 -g -O3 -O3 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fasynchronous-unwind-tables -fstack-protect... | 1 | 0 | 1.01 | 0 | 1.04 | 0 | 1.06 | 0 | 1.04 | 0 | 1 | 0 | 1 | 0 |
►Loop 20054 - bonded.cpp:2066-2124 - libgromacs_mpi.so.7.0.0 [...] | 0.59 | 0.56 | 0.53 | 0.47 | 0.46 | 0.39 | 0.33 | 10.93 | 6.46 | 3.88 | 2.08 | 1.29 | 0.89 | 0.64 | 10.93 | 5.4 | 2.6 | 1.24 | 0.64 | 0.33 | 0.16 | 1 | 2 | 4 | 8 | 16 | 22 | 44 | 0.00 | 0.16 | 0.31 | 0.28 | 0.31 | 0.34 | 0.37 | 0.00 | 1.50 | 1.53 | 0.72 | 0.44 | 0.28 | 0.17 | 1 | 0 | 1.01 | 0 | 1.05 | 0 | 1.1 | 0 | 1.07 | 0 | 1.04 | 0 | 1.07 | 0 | |||||||||
○Loop 20053 - bonded.cpp:2072-2095 - libgromacs_mpi.so.7.0.0 [...] | 0.1 | 0.1 | 0.1 | 0.1 | 0.1 | 0.09 | 0.09 | 1.91 | 1.02 | 0.71 | 0.47 | 0.28 | 0.22 | 0.19 | 1.91 | 0.95 | 0.47 | 0.27 | 0.13 | 0.07 | 0.04 | 1 | 2 | 4 | 8 | 16 | 23 | 43 | 0.00 | 0.01 | 0.06 | 0.06 | 0.06 | 0.07 | 0.09 | 0.00 | 0.11 | 0.27 | 0.15 | 0.08 | 0.06 | 0.04 | 1 | 0 | 1.01 | 0 | 1.02 | 0 | 0.88 | 0.01 | 0.92 | 0.01 | 0.85 | 0.01 | 0.75 | 0.02 | |||||||||
►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>, gmx::ArrayRef<float>, gmx::ArrayRef<bool>, gmx::ArrayRef<unsigned short>, ... | libgromacs_mpi.so.7.0.0 | 0.63 | 0.63 | 0.6 | 0.59 | 0.55 | 0.46 | 0.44 | 11.83 | 7.2 | 4.2 | 2.37 | 1.36 | 1.06 | 0.76 | 11.83 | 6.09 | 2.95 | 1.54 | 0.77 | 0.38 | 0.21 | 1 | 2 | 4 | 8 | 16 | 24 | 45 | 0.00 | 0.16 | 0.30 | 0.31 | 0.34 | 0.38 | 0.45 | 0.00 | 1.57 | 1.46 | 0.80 | 0.48 | 0.31 | 0.21 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | GNU C++17 11.1.0 -march=armv8.2-a+sve -msve-vector-bits=256 -mlittle-endian -mabi=lp64 -g -O3 -O3 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fasynchronous-unwind-tables -fstack-protect... | 1 | 0 | 0.97 | 0.02 | 1 | 0 | 0.96 | 0.02 | 0.96 | 0.02 | 0.97 | 0.01 | 0.88 | 0.05 |
○Loop 20281 - pairs.cpp:863-894 - libgromacs_mpi.so.7.0.0 [...] | 0.57 | 0.57 | 0.53 | 0.53 | 0.49 | 0.41 | 0.38 | 10.68 | 6.54 | 3.68 | 2.13 | 1.26 | 0.92 | 0.66 | 10.68 | 5.48 | 2.62 | 1.38 | 0.69 | 0.34 | 0.18 | 1 | 2 | 4 | 8 | 16 | 24 | 44 | 0.00 | 0.16 | 0.26 | 0.27 | 0.32 | 0.33 | 0.38 | 0.00 | 1.50 | 1.29 | 0.72 | 0.44 | 0.28 | 0.18 | 1 | 0 | 0.97 | 0.01 | 1.02 | 0 | 0.97 | 0.02 | 0.97 | 0.02 | 0.98 | 0.01 | 0.93 | 0.03 | |||||||||
○Loop 20282 - pairs.cpp:606-824 - libgromacs_mpi.so.7.0.0 [...] | 0.06 | 0.06 | 0.06 | 0.06 | 0.05 | 0.04 | 0.05 | 1.13 | 0.62 | 0.49 | 0.24 | 0.14 | 0.14 | 0.12 | 1.13 | 0.58 | 0.32 | 0.15 | 0.07 | 0.04 | 0.02 | 1 | 2 | 4 | 8 | 16 | 22 | 40 | 0.00 | 0.01 | 0.03 | 0.03 | 0.03 | 0.04 | 0.06 | 0.00 | 0.05 | 0.16 | 0.09 | 0.04 | 0.03 | 0.03 | 1 | 0 | 0.97 | 0 | 0.88 | 0.01 | 0.94 | 0 | 1.01 | 0 | 0.88 | 0 | 0.88 | 0.01 | |||||||||
○Loop 20280 - pairs.cpp:863-925 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
►Loop 20279 - pairs.cpp:606-1044 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 2 | 3 | 2 | 3 | 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 | |||||||||||||||||||||||
►Loop 20277 - pairs.cpp:614-654 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 20276 - pairs.cpp:614-654 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 20278 - pairs.cpp:606-818 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 20283 - pairs.cpp:550-564 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○(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_mpi.so.7.0.0 | 0.63 | 0.61 | 0.6 | 0.54 | 0.5 | 0.43 | 0.38 | 11.82 | 6.93 | 4.25 | 2.11 | 1.3 | 1.01 | 0.74 | 11.82 | 5.82 | 2.97 | 1.41 | 0.7 | 0.36 | 0.18 | 1 | 2 | 4 | 8 | 16 | 23 | 41 | 0.00 | 0.16 | 0.29 | 0.29 | 0.33 | 0.37 | 0.39 | 0.00 | 1.56 | 1.43 | 0.74 | 0.46 | 0.31 | 0.18 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | GNU C++17 11.1.0 -march=armv8.2-a+sve -msve-vector-bits=256 -mlittle-endian -mabi=lp64 -g -O3 -O3 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fasynchronous-unwind-tables -fstack-protect... | 1 | 0 | 1.02 | 0 | 0.99 | 0 | 1.05 | 0 | 1.06 | 0 | 1.03 | 0 | 1.03 | 0 |
►void gmx::settleTemplate<gmx::SimdFloat, gmx::SimdFBool, 8, float const*, true, false>(gmx::SettleData const&, int, int, float const*, float const*, float*, float, float*, float (*) [3], bool*) [clone .constprop.0] | libgromacs_mpi.so.7.0.0 | 0.59 | 0.53 | 0.49 | 0.45 | 0.42 | 0.36 | 0.34 | 11.03 | 5.4 | 3.12 | 1.59 | 0.89 | 0.61 | 0.35 | 11.03 | 5.1 | 2.44 | 1.16 | 0.59 | 0.3 | 0.16 | 1 | 2 | 4 | 8 | 16 | 24 | 48 | 0.00 | 0.04 | 0.10 | 0.09 | 0.12 | 0.13 | 0.19 | 0.00 | 0.43 | 0.51 | 0.24 | 0.17 | 0.11 | 0.09 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | GNU C++17 11.1.0 -march=armv8.2-a+sve -msve-vector-bits=256 -mlittle-endian -mabi=lp64 -g -O3 -O3 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fasynchronous-unwind-tables -fstack-protect... | 1 | 0 | 1.08 | 0 | 1.13 | 0 | 1.19 | 0 | 1.17 | 0 | 1.15 | 0 | 1.08 | 0 |
○Loop 18239 - settle.cpp:423-431 - libgromacs_mpi.so.7.0.0 [...] | 0.59 | 0.53 | 0.49 | 0.44 | 0.42 | 0.36 | 0.33 | 11.02 | 5.39 | 3.11 | 1.59 | 0.88 | 0.61 | 0.35 | 11.02 | 5.09 | 2.44 | 1.16 | 0.59 | 0.3 | 0.16 | 1 | 2 | 4 | 8 | 16 | 24 | 48 | 0.00 | 0.04 | 0.10 | 0.09 | 0.12 | 0.13 | 0.19 | 0.00 | 0.42 | 0.50 | 0.24 | 0.17 | 0.11 | 0.09 | 1 | 0 | 1.08 | 0 | 1.13 | 0 | 1.19 | 0 | 1.17 | 0 | 1.15 | 0 | 1.08 | 0 | |||||||||
►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_mpi.so.7.0.0 | 0.54 | 0.57 | 0.58 | 0.62 | 0.57 | 0.5 | 0.47 | 10.09 | 6.14 | 3.82 | 2.13 | 1.48 | 1.08 | 0.85 | 10.09 | 5.5 | 2.89 | 1.62 | 0.8 | 0.42 | 0.22 | 1 | 2 | 4 | 8 | 16 | 24 | 48 | 0.00 | 0.09 | 0.19 | 0.22 | 0.34 | 0.40 | 0.48 | 0.00 | 0.91 | 0.93 | 0.57 | 0.47 | 0.33 | 0.23 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | GNU C++17 11.1.0 -march=armv8.2-a+sve -msve-vector-bits=256 -mlittle-endian -mabi=lp64 -g -O3 -O3 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fasynchronous-unwind-tables -fstack-protect... | 1 | 0 | 0.92 | 0.05 | 0.87 | 0.07 | 0.78 | 0.14 | 0.79 | 0.12 | 0.75 | 0.12 | 0.72 | 0.13 |
○Loop 17915 - lincs.cpp:798-809 - libgromacs_mpi.so.7.0.0 [...] | 0.24 | 0.24 | 0.23 | 0.22 | 0.21 | 0.18 | 0.18 | 4.42 | 2.49 | 1.48 | 0.76 | 0.54 | 0.45 | 0.34 | 4.42 | 2.28 | 1.11 | 0.58 | 0.29 | 0.15 | 0.09 | 1 | 2 | 4 | 8 | 16 | 23 | 46 | 0.00 | 0.03 | 0.06 | 0.07 | 0.12 | 0.15 | 0.19 | 0.00 | 0.30 | 0.32 | 0.19 | 0.17 | 0.13 | 0.09 | 1 | 0 | 0.97 | 0.01 | 1 | 0 | 0.95 | 0.01 | 0.95 | 0.01 | 0.92 | 0.01 | 0.77 | 0.04 | |||||||||
►Loop 17912 - lincs.cpp:1085-1089 - libgromacs_mpi.so.7.0.0 [...] | 0.18 | 0.2 | 0.22 | 0.23 | 0.22 | 0.19 | 0.17 | 3.3 | 2.12 | 1.33 | 0.79 | 0.62 | 0.43 | 0.33 | 3.3 | 1.88 | 1.07 | 0.61 | 0.31 | 0.16 | 0.08 | 1 | 2 | 4 | 8 | 16 | 24 | 44 | 0.00 | 0.03 | 0.07 | 0.08 | 0.14 | 0.15 | 0.17 | 0.00 | 0.33 | 0.36 | 0.22 | 0.20 | 0.12 | 0.08 | 1 | 0 | 0.88 | 0.02 | 0.77 | 0.05 | 0.68 | 0.07 | 0.67 | 0.07 | 0.64 | 0.07 | 0.64 | 0.06 | |||||||||
○Loop 17914 - lincs.cpp:1087-1089 - libgromacs_mpi.so.7.0.0 [...] | 0.02 | 0.03 | 0.03 | 0.04 | 0.04 | 0.03 | 0.03 | 0.44 | 0.3 | 0.26 | 0.18 | 0.11 | 0.1 | 0.05 | 0.44 | 0.26 | 0.15 | 0.1 | 0.05 | 0.03 | 0.01 | 1 | 2 | 4 | 7 | 16 | 21 | 36 | 0.00 | 0.01 | 0.02 | 0.02 | 0.03 | 0.03 | 0.03 | 0.00 | 0.06 | 0.10 | 0.06 | 0.04 | 0.03 | 0.02 | 1 | 0 | 0.85 | 0 | 0.73 | 0.01 | 0.55 | 0.02 | 0.55 | 0.02 | 0.46 | 0.02 | 0.69 | 0.01 | |||||||||
►Loop 17907 - lincs.cpp:919-1238 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0 | 0.01 | 0 | 0.01 | 0 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 1 | 4 | 5 | 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 | |||||||||||||||||||||||
○Loop 17909 - lincs.cpp:1215-1223 - libgromacs_mpi.so.7.0.0 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.13 | 0.07 | 0.05 | 0.05 | 0.03 | 0.03 | 0.04 | 0.13 | 0.07 | 0.04 | 0.03 | 0.01 | 0.01 | 0.01 | 1 | 2 | 4 | 8 | 12 | 19 | 31 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.02 | 0.00 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 1 | 0 | 0.93 | 0 | 0.81 | 0 | 0.54 | 0 | 0.81 | 0 | 0.41 | 0.01 | 0.2 | 0.01 | |||||||||
○Loop 17910 - lincs.cpp:1202-1207 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
►Loop 17906 - lincs.cpp:919-1173 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0.02 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 2 | 3 | 4 | 4 | 7 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 17904 - lincs.cpp:919-930 - libgromacs_mpi.so.7.0.0 [...] | 0.09 | 0.09 | 0.09 | 0.1 | 0.08 | 0.07 | 0.07 | 1.59 | 1.05 | 0.59 | 0.35 | 0.25 | 0.17 | 0.16 | 1.59 | 0.9 | 0.43 | 0.25 | 0.11 | 0.06 | 0.03 | 1 | 2 | 4 | 8 | 16 | 22 | 40 | 0.00 | 0.02 | 0.03 | 0.04 | 0.05 | 0.05 | 0.08 | 0.00 | 0.22 | 0.15 | 0.09 | 0.07 | 0.04 | 0.04 | 1 | 0 | 0.88 | 0.01 | 0.92 | 0.01 | 0.8 | 0.02 | 0.9 | 0.01 | 0.83 | 0.01 | 0.83 | 0.01 | |||||||||
○Loop 17908 - lincs.cpp:1155-1155 - libgromacs_mpi.so.7.0.0 [...] | 0.01 | 0 | 0.01 | 0.01 | 0.01 | 0 | 0.01 | 0.1 | 0.05 | 0.04 | 0.03 | 0.01 | 0.01 | 0.02 | 0.1 | 0.04 | 0.04 | 0.02 | 0.01 | 0 | 0 | 1 | 2 | 4 | 8 | 13 | 13 | 19 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.02 | 0.01 | 0.01 | 0.00 | 0.00 | 0.00 | 1 | 0 | 1.25 | 0 | 0.63 | 0 | 0.63 | 0 | 0.63 | 0 | 1 | 0 | 1 | 0 | |||||||||
○Loop 17905 - lincs.cpp:919-1173 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 2 | 3 | 4 | 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 | |||||||||||||||||||||||
○Loop 17911 - lincs.cpp:1193-1195 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.04 | 0.01 | 0.02 | 0.01 | 0.01 | 0.01 | 0.01 | 0.04 | 0.02 | 0.01 | 0.01 | 0 | 0 | 0 | 1 | 2 | 2 | 6 | 4 | 8 | 7 | 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 | 1 | 0 | 1 | 0 | 1 | 0 | 0.5 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | |||||||||
○Loop 17913 - lincs.cpp:1098-1098 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0.01 | 0.01 | 0.01 | 0.01 | 0 | 0 | 0.05 | 0.06 | 0.05 | 0.04 | 0.03 | 0.03 | 0.01 | 0.05 | 0.06 | 0.03 | 0.02 | 0.01 | 0 | 0 | 1 | 2 | 4 | 8 | 12 | 13 | 14 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 0.01 | 0.02 | 0.01 | 0.01 | 0.01 | 0.00 | 1 | 0 | 0.42 | 0.01 | 0.42 | 0.01 | 0.31 | 0.01 | 0.31 | 0.01 | 1 | 0 | 1 | 0 | |||||||||
►spread_on_grid(gmx_pme_t const*, PmeAtomComm*, pmegrids_t const*, bool, bool, float*, bool, int) [clone ._omp_fn.0] | libgromacs_mpi.so.7.0.0 | 0.29 | 0.29 | 0.28 | 0.27 | 0.28 | 0.21 | 0.19 | 5.36 | 2.83 | 1.5 | 0.76 | 0.45 | 0.75 | 0.42 | 5.36 | 2.77 | 1.38 | 0.71 | 0.39 | 0.17 | 0.09 | 1 | 2 | 4 | 8 | 16 | 8 | 16 | 0.00 | 0.01 | 0.02 | 0.02 | 0.03 | 0.06 | 0.07 | 0.00 | 0.09 | 0.08 | 0.06 | 0.04 | 0.05 | 0.03 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | GNU C++17 11.1.0 -march=armv8.2-a+sve -msve-vector-bits=256 -mlittle-endian -mabi=lp64 -g -O3 -O3 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fasynchronous-unwind-tables -fstack-protect... | 1 | 0 | 0.97 | 0.01 | 0.97 | 0.01 | 0.94 | 0.02 | 0.86 | 0.04 | 0.99 | 0 | 0.93 | 0.01 |
►Loop 20774 - pme_spread.cpp:71-918 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
►Loop 20771 - pme_spread.cpp:71-918 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 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 | |||||||||||||||||||||||
►Loop 20772 - pme_spread.cpp:76-918 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 1 | 3 | 2 | 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 | |||||||||||||||||||||||
○Loop 20777 - pme_spread.cpp:104-145 - libgromacs_mpi.so.7.0.0 [...] | 0.29 | 0.29 | 0.28 | 0.27 | 0.28 | 0.21 | 0.19 | 5.36 | 2.83 | 1.49 | 0.76 | 0.45 | 0.75 | 0.42 | 5.36 | 2.76 | 1.37 | 0.7 | 0.39 | 0.17 | 0.09 | 1 | 2 | 4 | 8 | 16 | 8 | 16 | 0.00 | 0.01 | 0.02 | 0.02 | 0.03 | 0.06 | 0.07 | 0.00 | 0.10 | 0.08 | 0.06 | 0.04 | 0.05 | 0.03 | 1 | 0 | 0.97 | 0.01 | 0.98 | 0.01 | 0.96 | 0.01 | 0.86 | 0.04 | 0.99 | 0 | 0.93 | 0.01 | |||||||||
○Loop 20773 - pme_spread.cpp:96-98 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 20776 - pme_spread.cpp:154-156 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 20775 - pme_spread.cpp:172-174 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 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_update_atoms(gmx::Lincs*, int, float, gmx::ArrayRef<float const>, gmx::ArrayRef<gmx::BasicVector<float> const>, gmx::ArrayRef<float const>, float (*) [3]) | libgromacs_mpi.so.7.0.0 | 0.27 | 0.28 | 0.3 | 0.31 | 0.27 | 0.25 | 0.24 | 5.12 | 2.76 | 1.75 | 1.05 | 0.66 | 0.5 | 0.43 | 5.12 | 2.73 | 1.47 | 0.8 | 0.37 | 0.21 | 0.11 | 1 | 2 | 4 | 8 | 16 | 24 | 45 | 0.00 | 0.01 | 0.07 | 0.07 | 0.16 | 0.19 | 0.23 | 0.00 | 0.05 | 0.32 | 0.18 | 0.22 | 0.16 | 0.11 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | GNU C++17 11.1.0 -march=armv8.2-a+sve -msve-vector-bits=256 -mlittle-endian -mabi=lp64 -g -O3 -O3 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fasynchronous-unwind-tables -fstack-protect... | 1 | 0 | 0.94 | 0.02 | 0.87 | 0.04 | 0.8 | 0.06 | 0.86 | 0.04 | 0.76 | 0.06 | 0.73 | 0.07 |
○Loop 17881 - lincs.cpp:368-383 - libgromacs_mpi.so.7.0.0 [...] | 0.27 | 0.28 | 0.3 | 0.31 | 0.26 | 0.24 | 0.24 | 5.1 | 2.75 | 1.75 | 1.04 | 0.66 | 0.5 | 0.43 | 5.1 | 2.72 | 1.47 | 0.8 | 0.37 | 0.2 | 0.11 | 1 | 2 | 4 | 8 | 16 | 23 | 44 | 0.00 | 0.00 | 0.07 | 0.07 | 0.16 | 0.18 | 0.22 | 0.00 | 0.05 | 0.32 | 0.18 | 0.22 | 0.15 | 0.11 | 1 | 0 | 0.94 | 0.02 | 0.87 | 0.04 | 0.8 | 0.06 | 0.86 | 0.04 | 0.8 | 0.05 | 0.72 | 0.07 | |||||||||
○Loop 17880 - lincs.cpp:388-401 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 17879 - lincs.cpp:481-499 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 2 | 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 | |||||||||||||||||||||||
►copy_pmegrid_to_fftgrid(gmx_pme_t const*, float const*, float*, int) | libgromacs_mpi.so.7.0.0 | 0.24 | 0.26 | 0.26 | 0.24 | 0.25 | 0.18 | 0.14 | 4.44 | 2.51 | 1.37 | 0.67 | 0.44 | 0.62 | 0.35 | 4.44 | 2.48 | 1.3 | 0.62 | 0.35 | 0.15 | 0.07 | 1 | 2 | 4 | 8 | 16 | 8 | 16 | 0.00 | 0.00 | 0.01 | 0.02 | 0.04 | 0.03 | 0.09 | 0.00 | 0.05 | 0.05 | 0.06 | 0.05 | 0.02 | 0.04 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | GNU C++17 11.1.0 -march=armv8.2-a+sve -msve-vector-bits=256 -mlittle-endian -mabi=lp64 -g -O3 -O3 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fasynchronous-unwind-tables -fstack-protect... | 1 | 0 | 0.9 | 0.03 | 0.85 | 0.04 | 0.9 | 0.03 | 0.79 | 0.05 | 0.93 | 0.01 | 0.99 | 0 |
►Loop 20521 - pme_grid.cpp:271-350 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 2 | 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 | |||||||||||||||||||||||
►Loop 20518 - pme_grid.cpp:271-309 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
►Loop 20519 - pme_grid.cpp:271-309 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.04 | 0.02 | 0.02 | 0.02 | 0.01 | 0.01 | 0.01 | 0.04 | 0.02 | 0.01 | 0.01 | 0.01 | 0 | 0 | 1 | 2 | 4 | 5 | 10 | 5 | 3 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 0.00 | 1 | 0 | 1 | 0 | 1 | 0 | 0.5 | 0 | 0.25 | 0 | 1 | 0 | 1 | 0 | |||||||||
○Loop 20520 - pme_grid.cpp:303-309 - libgromacs_mpi.so.7.0.0 [...] | 0.24 | 0.26 | 0.26 | 0.23 | 0.25 | 0.18 | 0.14 | 4.4 | 2.49 | 1.35 | 0.67 | 0.43 | 0.61 | 0.34 | 4.39 | 2.46 | 1.28 | 0.61 | 0.34 | 0.15 | 0.07 | 1 | 2 | 4 | 8 | 16 | 8 | 16 | 0.00 | 0.00 | 0.01 | 0.02 | 0.04 | 0.03 | 0.09 | 0.00 | 0.05 | 0.06 | 0.06 | 0.05 | 0.02 | 0.04 | 1 | 0 | 0.89 | 0.03 | 0.86 | 0.04 | 0.9 | 0.02 | 0.81 | 0.05 | 0.91 | 0.02 | 0.98 | 0 | |||||||||
○Loop 20522 - pme_grid.cpp:303-309 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 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_mpi.so.7.0.0 | 0.18 | 0.15 | 0.13 | 0.13 | 0.1 | 0.09 | 0.08 | 3.38 | 1.7 | 0.88 | 0.48 | 0.33 | 0.24 | 0.18 | 3.38 | 1.44 | 0.67 | 0.33 | 0.14 | 0.08 | 0.04 | 1 | 2 | 4 | 8 | 16 | 23 | 41 | 0.00 | 0.04 | 0.06 | 0.05 | 0.07 | 0.08 | 0.08 | 0.00 | 0.37 | 0.29 | 0.13 | 0.10 | 0.07 | 0.04 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | GNU C++17 11.1.0 -march=armv8.2-a+sve -msve-vector-bits=256 -mlittle-endian -mabi=lp64 -g -O3 -O3 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fasynchronous-unwind-tables -fstack-protect... | 1 | 0 | 1.17 | 0 | 1.26 | 0 | 1.28 | 0 | 1.51 | 0 | 1.32 | 0 | 1.32 | 0 |
►Loop 6337 - pbc.cpp:823-1083 - libgromacs_mpi.so.7.0.0 [...] | 0.02 | 0.02 | 0.02 | 0.02 | 0.06 | 0.05 | 0.04 | 0.29 | 0.22 | 0.11 | 0.08 | 0.24 | 0.16 | 0.1 | 0.29 | 0.21 | 0.08 | 0.04 | 0.09 | 0.04 | 0.02 | 1 | 2 | 4 | 8 | 15 | 22 | 38 | 0.00 | 0.00 | 0.01 | 0.01 | 0.05 | 0.05 | 0.05 | 0.00 | 0.02 | 0.04 | 0.03 | 0.07 | 0.04 | 0.02 | 1 | 0 | 0.69 | 0.01 | 0.91 | 0 | 0.91 | 0 | 0.2 | 0.05 | 0.23 | 0.04 | 0.23 | 0.03 | |||||||||
○Loop 6338 - pbc.cpp:899-909 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 6339 - pbc.cpp:989-1006 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 6341 - pbc.cpp:989-1006 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 6340 - pbc.cpp:989-1006 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 6342 - pbc.cpp:989-1006 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 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_mpi.so.7.0.0 | 0.13 | 0.13 | 0.15 | 0.11 | 0.13 | 0.09 | 0.1 | 2.34 | 1.27 | 0.81 | 0.34 | 0.26 | 0.35 | 0.25 | 2.34 | 1.23 | 0.74 | 0.3 | 0.18 | 0.08 | 0.05 | 1 | 2 | 4 | 8 | 16 | 8 | 16 | 0.00 | 0.01 | 0.02 | 0.01 | 0.02 | 0.04 | 0.07 | 0.00 | 0.07 | 0.08 | 0.03 | 0.03 | 0.03 | 0.03 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | GNU C++17 11.1.0 -march=armv8.2-a+sve -msve-vector-bits=256 -mlittle-endian -mabi=lp64 -g -O3 -O3 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fasynchronous-unwind-tables -fstack-protect... | 1 | 0 | 0.95 | 0.01 | 0.79 | 0.03 | 0.97 | 0 | 0.81 | 0.02 | 0.91 | 0.01 | 0.73 | 0.03 |
►Loop 20526 - pme_grid.cpp:395-419 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 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 | |||||||||||||||||||||||
►Loop 20523 - pme_grid.cpp:395-404 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
►Loop 20524 - pme_grid.cpp:395-404 - libgromacs_mpi.so.7.0.0 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0 | 0.01 | 0.19 | 0.06 | 0.04 | 0.03 | 0.03 | 0.02 | 0.02 | 0.19 | 0.06 | 0.03 | 0.01 | 0.01 | 0 | 0 | 1 | 2 | 4 | 8 | 14 | 8 | 14 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.01 | 0.00 | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.01 | 1 | 0 | 1.58 | 0 | 1.58 | 0 | 2.38 | 0 | 1.19 | 0 | 1 | 0 | 1 | 0 | |||||||||
○Loop 20525 - pme_grid.cpp:402-404 - libgromacs_mpi.so.7.0.0 | 0.11 | 0.12 | 0.14 | 0.11 | 0.12 | 0.09 | 0.1 | 2.14 | 1.22 | 0.78 | 0.32 | 0.25 | 0.33 | 0.23 | 2.14 | 1.17 | 0.7 | 0.28 | 0.17 | 0.07 | 0.05 | 1 | 2 | 4 | 8 | 16 | 8 | 16 | 0.00 | 0.01 | 0.02 | 0.01 | 0.02 | 0.04 | 0.07 | 0.00 | 0.08 | 0.08 | 0.03 | 0.03 | 0.03 | 0.03 | 1 | 0 | 0.91 | 0.01 | 0.76 | 0.03 | 0.96 | 0 | 0.79 | 0.03 | 0.96 | 0 | 0.67 | 0.03 | |||||||||
○Loop 20527 - pme_grid.cpp:402-404 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 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_mpi.so.7.0.0 | 0.13 | 0.12 | 0.12 | 0.11 | 0.1 | 0.09 | 0.07 | 2.35 | 1.39 | 0.79 | 0.45 | 0.26 | 0.18 | 0.13 | 2.35 | 1.2 | 0.58 | 0.29 | 0.14 | 0.07 | 0.03 | 1 | 2 | 4 | 8 | 16 | 23 | 41 | 0.00 | 0.03 | 0.05 | 0.05 | 0.06 | 0.07 | 0.08 | 0.00 | 0.28 | 0.26 | 0.13 | 0.09 | 0.06 | 0.04 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | GNU C++17 11.1.0 -march=armv8.2-a+sve -msve-vector-bits=256 -mlittle-endian -mabi=lp64 -g -O3 -O3 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fasynchronous-unwind-tables -fstack-protect... | 1 | 0 | 0.98 | 0 | 1.01 | 0 | 1.01 | 0 | 1.05 | 0 | 1.05 | 0 | 1.22 | 0 |
►Loop 20086 - bonded.cpp:444-1090 - libgromacs_mpi.so.7.0.0 [...] | 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 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
►Loop 20084 - cmath:464-464 - libgromacs_mpi.so.7.0.0 [...] | 0.11 | 0.11 | 0.11 | 0.1 | 0.09 | 0.08 | 0.06 | 2.14 | 1.23 | 0.74 | 0.43 | 0.24 | 0.17 | 0.13 | 2.15 | 1.07 | 0.54 | 0.27 | 0.12 | 0.07 | 0.03 | 1 | 2 | 4 | 8 | 16 | 22 | 40 | 0.00 | 0.02 | 0.05 | 0.05 | 0.06 | 0.06 | 0.07 | 0.00 | 0.23 | 0.24 | 0.13 | 0.08 | 0.05 | 0.03 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1.12 | 0 | 0.96 | 0 | 1.12 | 0 | |||||||||
○Loop 20085 - bonded.cpp:444-1050 - libgromacs_mpi.so.7.0.0 [...] | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.2 | 0.15 | 0.05 | 0.04 | 0.05 | 0.03 | 0.02 | 0.2 | 0.12 | 0.04 | 0.02 | 0.01 | 0.01 | 0 | 1 | 2 | 4 | 8 | 13 | 19 | 22 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.01 | 0.00 | 0.05 | 0.02 | 0.01 | 0.01 | 0.01 | 0.01 | 1 | 0 | 0.83 | 0 | 1.25 | 0 | 1.25 | 0 | 1.25 | 0 | 0.63 | 0 | 1 | 0 | |||||||||
○void armpl::fft::execute_dit<std::complex<float>, std::complex<float>, std::complex<float> >(armpl::fft::composition<std::complex<float>, std::complex<float> > const&, long, std::complex<float>*, std::com... | libarmpl.so | 0.13 | 0.13 | 0.13 | 0.11 | 0.11 | 0.09 | 0.08 | 2.45 | 1.24 | 0.78 | 0.36 | 0.23 | 0.38 | 0.22 | 2.45 | 1.22 | 0.62 | 0.28 | 0.16 | 0.08 | 0.04 | 1 | 2 | 4 | 8 | 16 | 8 | 16 | 0.00 | 0.00 | 0.02 | 0.02 | 0.02 | 0.05 | 0.06 | 0.00 | 0.04 | 0.12 | 0.04 | 0.03 | 0.04 | 0.03 | 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 | 0.99 | 0 | 1.09 | 0 | 0.96 | 0 | 0.96 | 0 | 0.96 | 0 | |
►copy_rvec_to_nbat_real(int const*, int, int, float const (*) [3], int, float*, int) | libgromacs_mpi.so.7.0.0 | 0.11 | 0.14 | 0.17 | 0.23 | 0.32 | 0.28 | 0.31 | 2.12 | 1.48 | 0.87 | 0.63 | 0.5 | 0.39 | 0.27 | 2.12 | 1.35 | 0.84 | 0.59 | 0.44 | 0.24 | 0.15 | 1 | 2 | 4 | 8 | 16 | 24 | 48 | 0.00 | 0.02 | 0.01 | 0.01 | 0.03 | 0.05 | 0.07 | 0.00 | 0.18 | 0.03 | 0.03 | 0.04 | 0.04 | 0.03 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | GNU C++17 11.1.0 -march=armv8.2-a+sve -msve-vector-bits=256 -mlittle-endian -mabi=lp64 -g -O3 -O3 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fasynchronous-unwind-tables -fstack-protect... | 1 | 0 | 0.79 | 0.03 | 0.63 | 0.06 | 0.45 | 0.13 | 0.3 | 0.22 | 0.28 | 0.2 | 0.22 | 0.24 |
○Loop 2736 - atomdata.cpp:161-165 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
►Loop 2729 - atomdata.cpp:168-258 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0.01 | 0.01 | 0.01 | 0.06 | 0.06 | 0.1 | 0.06 | 0.09 | 0.05 | 0.06 | 0.12 | 0.1 | 0.14 | 0.06 | 0.08 | 0.05 | 0.04 | 0.08 | 0.05 | 0.05 | 1 | 2 | 4 | 8 | 16 | 24 | 48 | 0.00 | 0.00 | 0.00 | 0.00 | 0.02 | 0.02 | 0.04 | 0.00 | 0.02 | 0.01 | 0.01 | 0.03 | 0.02 | 0.02 | 1 | 0 | 0.38 | 0.01 | 0.3 | 0.01 | 0.19 | 0.01 | 0.05 | 0.06 | 0.04 | 0.06 | 0.02 | 0.1 | |||||||||
○Loop 2735 - atomdata.cpp:226-236 - libgromacs_mpi.so.7.0.0 | 0.11 | 0.13 | 0.16 | 0.21 | 0.25 | 0.22 | 0.19 | 2.04 | 1.38 | 0.81 | 0.6 | 0.42 | 0.34 | 0.19 | 2.04 | 1.26 | 0.78 | 0.55 | 0.35 | 0.18 | 0.09 | 1 | 2 | 4 | 8 | 16 | 24 | 48 | 0.00 | 0.02 | 0.01 | 0.01 | 0.03 | 0.05 | 0.06 | 0.00 | 0.17 | 0.03 | 0.04 | 0.04 | 0.04 | 0.03 | 1 | 0 | 0.81 | 0.02 | 0.65 | 0.06 | 0.46 | 0.11 | 0.36 | 0.16 | 0.35 | 0.14 | 0.35 | 0.12 | |||||||||
○Loop 2734 - atomdata.cpp:240-250 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 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 | |||||||||||||||||||||||
○Loop 2730 - atomdata.cpp:180-184 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 2733 - atomdata.cpp:193-203 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 2731 - atomdata.cpp:172-176 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 2732 - atomdata.cpp:207-217 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 2737 - atomdata.cpp:154-158 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 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 ._omp_fn.0] | libgromacs_mpi.so.7.0.0 | 0.11 | 0.13 | 0.14 | 0.19 | 0.18 | 0.2 | 0.21 | 2.02 | 1.24 | 0.77 | 0.57 | 0.37 | 0.3 | 0.2 | 2.02 | 1.21 | 0.69 | 0.49 | 0.25 | 0.16 | 0.1 | 1 | 2 | 4 | 8 | 16 | 24 | 48 | 0.00 | 0.00 | 0.01 | 0.02 | 0.04 | 0.05 | 0.06 | 0.00 | 0.05 | 0.07 | 0.06 | 0.05 | 0.04 | 0.03 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | GNU C++17 11.1.0 -march=armv8.2-a+sve -msve-vector-bits=256 -mlittle-endian -mabi=lp64 -g -O3 -O3 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fasynchronous-unwind-tables -fstack-protect... | 1 | 0 | 0.83 | 0.02 | 0.73 | 0.04 | 0.52 | 0.09 | 0.51 | 0.09 | 0.39 | 0.12 | 0.32 | 0.14 |
○Loop 2711 - atomdata.cpp:1270-1270 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
►Loop 2715 - atomdata.cpp:1149-1268 - libgromacs_mpi.so.7.0.0 [...] | 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 | 1 | 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 | |||||||||||||||||||||||
►Loop 2716 - atomdata.cpp:1149-1268 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0 | 0 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 1 | 3 | 2 | 6 | 11 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 2718 - atomdata.cpp:1173-1179 - libgromacs_mpi.so.7.0.0 [...] | 0.11 | 0.13 | 0.14 | 0.19 | 0.18 | 0.19 | 0.2 | 2.01 | 1.24 | 0.77 | 0.56 | 0.37 | 0.28 | 0.19 | 2.01 | 1.21 | 0.69 | 0.48 | 0.25 | 0.16 | 0.1 | 1 | 2 | 4 | 8 | 16 | 24 | 48 | 0.00 | 0.00 | 0.01 | 0.02 | 0.03 | 0.05 | 0.06 | 0.00 | 0.04 | 0.07 | 0.06 | 0.05 | 0.04 | 0.03 | 1 | 0 | 0.83 | 0.02 | 0.73 | 0.04 | 0.52 | 0.09 | 0.5 | 0.09 | 0.39 | 0.12 | 0.31 | 0.14 | |||||||||
►Loop 2712 - atomdata.cpp:1149-1268 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
►Loop 2714 - atomdata.cpp:1149-1268 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 2713 - atomdata.cpp:1163-1169 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 2717 - atomdata.cpp:1153-1159 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○atan2f | libm-2.31.so | 0.09 | 0.1 | 0.09 | 0.09 | 0.08 | 0.07 | 0.06 | 1.76 | 1.04 | 0.62 | 0.32 | 0.24 | 0.18 | 0.12 | 1.76 | 0.92 | 0.44 | 0.23 | 0.12 | 0.06 | 0.03 | 1 | 2 | 4 | 8 | 16 | 22 | 36 | 0.00 | 0.02 | 0.04 | 0.04 | 0.07 | 0.06 | 0.06 | 0.00 | 0.18 | 0.18 | 0.09 | 0.09 | 0.05 | 0.03 | 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 | 1 | 0 | 0.96 | 0 | 0.92 | 0.01 | 0.92 | 0.01 | 0.92 | 0 | |
○explicit_bzero | libc-2.31.so | 0.09 | 0.22 | 0.19 | 0.17 | 0.19 | 0.15 | 0.17 | 1.62 | 2.24 | 1.01 | 0.52 | 0.38 | 0.27 | 0.2 | 1.62 | 2.07 | 0.93 | 0.45 | 0.27 | 0.13 | 0.08 | 1 | 2 | 4 | 8 | 16 | 32 | 64 | 0.00 | 0.03 | 0.01 | 0.02 | 0.04 | 0.08 | 0.09 | 0.00 | 0.24 | 0.06 | 0.06 | 0.06 | 0.06 | 0.04 | Memory (%): 99.38 Math (%): 0.62 | MPI (%): 60.19 Memory (%): 39.45 Math (%): 0.36 | Memory (%): 58.10 MPI (%): 41.37 Math (%): 0.40 OMP (%): 0.13 | Memory (%): 79.78 MPI (%): 18.26 Math (%): 1.54 OMP (%): 0.42 | Memory (%): 85.60 MPI (%): 12.79 Math (%): 0.81 OMP (%): 0.81 | Memory (%): 78.23 MPI (%): 20.77 Math (%): 1.00 | Memory (%): 72.11 MPI (%): 25.46 Math (%): 2.23 OMP (%): 0.20 | 1 | 0 | 0.39 | 0.13 | 0.44 | 0.11 | 0.45 | 0.09 | 0.38 | 0.12 | 0.39 | 0.09 | 0.32 | 0.12 | |
►gmx::Update::Impl::update_coords(t_inputrec const&, long, int, bool, gmx::ArrayRef<ParticleType const>, gmx::ArrayRef<float const>, gmx::ArrayRef<float const [3]>, t_state*, gmx::ArrayRefWithPadding<gmx::BasicVector<float> co... | libgromacs_mpi.so.7.0.0 | 0.09 | 0.1 | 0.12 | 0.1 | 0.12 | 0.08 | 0.09 | 1.63 | 1.03 | 0.62 | 0.29 | 0.25 | 0.16 | 0.1 | 1.63 | 1.01 | 0.57 | 0.25 | 0.17 | 0.07 | 0.04 | 1 | 2 | 4 | 8 | 16 | 24 | 48 | 0.00 | 0.00 | 0.01 | 0.01 | 0.02 | 0.03 | 0.04 | 0.00 | 0.04 | 0.05 | 0.02 | 0.03 | 0.02 | 0.02 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | GNU C++17 11.1.0 -march=armv8.2-a+sve -msve-vector-bits=256 -mlittle-endian -mabi=lp64 -g -O3 -O3 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fasynchronous-unwind-tables -fstack-protect... | 1 | 0 | 0.81 | 0.02 | 0.71 | 0.03 | 0.81 | 0.02 | 0.6 | 0.05 | 0.73 | 0.02 | 0.64 | 0.03 |
○Loop 18457 - update.cpp:481-481 - libgromacs_mpi.so.7.0.0 [...] | 0.07 | 0.09 | 0.1 | 0.08 | 0.1 | 0.06 | 0.07 | 1.26 | 0.88 | 0.55 | 0.24 | 0.2 | 0.12 | 0.08 | 1.26 | 0.86 | 0.49 | 0.21 | 0.14 | 0.05 | 0.03 | 1 | 2 | 4 | 8 | 16 | 24 | 48 | 0.00 | 0.00 | 0.01 | 0.01 | 0.02 | 0.02 | 0.04 | 0.00 | 0.03 | 0.05 | 0.02 | 0.03 | 0.02 | 0.02 | 1 | 0 | 0.73 | 0.02 | 0.64 | 0.04 | 0.75 | 0.02 | 0.56 | 0.04 | 0.79 | 0.01 | 0.66 | 0.02 | |||||||||
○Loop 18447 - update.cpp:361-387 - libgromacs_mpi.so.7.0.0 [...] | 0.02 | 0.01 | 0.02 | 0.02 | 0.02 | 0.01 | 0.02 | 0.36 | 0.14 | 0.1 | 0.06 | 0.05 | 0.04 | 0.03 | 0.36 | 0.14 | 0.08 | 0.04 | 0.03 | 0.01 | 0.01 | 1 | 2 | 4 | 8 | 16 | 22 | 44 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 0.02 | 0.02 | 0.01 | 0.01 | 0.01 | 1 | 0 | 1.29 | 0 | 1.13 | 0 | 1.13 | 0 | 0.75 | 0.01 | 1.13 | 0 | 0.56 | 0.01 | |||||||||
○Loop 18459 - update.cpp:579-641 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
►Loop 18463 - array:56-56 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 18464 - update.cpp:1296-1332 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
►Loop 18448 - update.cpp:574-1813 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0.02 | 0.01 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 1 | 4 | 10 | 7 | 20 | 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 | |||||||||||||||||||||||
○Loop 18449 - update.cpp:1137-1190 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 18454 - update.cpp:893-914 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
►Loop 18451 - update.cpp:949-965 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 18452 - update.cpp:949-965 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 18453 - update.cpp:965-965 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 18450 - update.cpp:579-641 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 18456 - update.cpp:361-387 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 18458 - update.cpp:361-387 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 18455 - update.cpp:361-387 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 18460 - update.cpp:579-641 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
►Loop 18462 - arrayref.h:82-82 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 18461 - update.cpp:1137-1190 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 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_ke_part_normal(gmx::ArrayRef<gmx::BasicVector<float> const>, t_grpopts const*, t_mdatoms const*, gmx_ekindata_t*, t_nrnb*, bool) [clone ._omp_fn.0] | libgromacs_mpi.so.7.0.0 | 0.08 | 0.08 | 0.07 | 0.07 | 0.07 | 0.06 | 0.06 | 1.47 | 0.86 | 0.42 | 0.23 | 0.14 | 0.09 | 0.06 | 1.47 | 0.74 | 0.37 | 0.19 | 0.09 | 0.05 | 0.03 | 1 | 2 | 4 | 8 | 16 | 24 | 48 | 0.00 | 0.02 | 0.01 | 0.01 | 0.02 | 0.02 | 0.02 | 0.00 | 0.17 | 0.04 | 0.03 | 0.03 | 0.02 | 0.01 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | GNU C++17 11.1.0 -march=armv8.2-a+sve -msve-vector-bits=256 -mlittle-endian -mabi=lp64 -g -O3 -O3 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fasynchronous-unwind-tables -fstack-protect... | 1 | 0 | 0.99 | 0 | 0.99 | 0 | 0.97 | 0 | 1.02 | 0 | 0.92 | 0 | 0.77 | 0.01 |
►Loop 17990 - md_support.cpp:113-157 - libgromacs_mpi.so.7.0.0 [...] | 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 | 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 | |||||||||||||||||||||||
►Loop 17991 - md_support.cpp:126-157 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 2 | 4 | 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 | |||||||||||||||||||||||
○Loop 17992 - md_support.cpp:139-157 - libgromacs_mpi.so.7.0.0 [...] | 0.08 | 0.08 | 0.07 | 0.07 | 0.07 | 0.06 | 0.06 | 1.46 | 0.86 | 0.42 | 0.23 | 0.14 | 0.09 | 0.06 | 1.46 | 0.73 | 0.37 | 0.19 | 0.09 | 0.05 | 0.03 | 1 | 2 | 4 | 8 | 16 | 24 | 48 | 0.00 | 0.02 | 0.01 | 0.01 | 0.02 | 0.02 | 0.02 | 0.00 | 0.18 | 0.04 | 0.03 | 0.03 | 0.02 | 0.01 | 1 | 0 | 1 | 0 | 0.99 | 0 | 0.96 | 0 | 1.01 | 0 | 0.91 | 0.01 | 0.76 | 0.01 | |||||||||
○Loop 17993 - md_support.cpp:132-132 - libgromacs_mpi.so.7.0.0 [...] | 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 | |||||||||||||||||||||||
○evaluate_single(float, float, float const*, float, float, float, float, float*, float*) | libgromacs_mpi.so.7.0.0 | 0.08 | 0.07 | 0.08 | 0.07 | 0.06 | 0.06 | 0.05 | 1.54 | 0.74 | 0.53 | 0.28 | 0.17 | 0.14 | 0.13 | 1.54 | 0.69 | 0.38 | 0.17 | 0.09 | 0.05 | 0.02 | 1 | 2 | 4 | 8 | 16 | 22 | 39 | 0.00 | 0.01 | 0.04 | 0.04 | 0.04 | 0.05 | 0.06 | 0.00 | 0.07 | 0.20 | 0.10 | 0.06 | 0.04 | 0.03 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | GNU C++17 11.1.0 -march=armv8.2-a+sve -msve-vector-bits=256 -mlittle-endian -mabi=lp64 -g -O3 -O3 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fasynchronous-unwind-tables -fstack-protect... | 1 | 0 | 1.12 | 0 | 1.01 | 0 | 1.13 | 0 | 1.07 | 0 | 0.96 | 0 | 1.2 | 0 |
►dih_angle(float const*, float const*, float const*, float const*, t_pbc const*, float*, float*, float*, float*, float*, int*, int*, int*) | libgromacs_mpi.so.7.0.0 | 0.07 | 0.07 | 0.07 | 0.07 | 0.06 | 0.06 | 0.05 | 1.25 | 0.75 | 0.45 | 0.24 | 0.2 | 0.14 | 0.12 | 1.25 | 0.66 | 0.36 | 0.18 | 0.09 | 0.05 | 0.03 | 1 | 2 | 4 | 8 | 14 | 21 | 38 | 0.00 | 0.01 | 0.03 | 0.02 | 0.05 | 0.04 | 0.06 | 0.00 | 0.13 | 0.13 | 0.06 | 0.07 | 0.04 | 0.03 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | GNU C++17 11.1.0 -march=armv8.2-a+sve -msve-vector-bits=256 -mlittle-endian -mabi=lp64 -g -O3 -O3 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fasynchronous-unwind-tables -fstack-protect... | 1 | 0 | 0.95 | 0 | 0.87 | 0.01 | 0.87 | 0.01 | 0.87 | 0.01 | 0.78 | 0.01 | 0.65 | 0.02 |
○Loop 20101 - bonded.cpp:189-190 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.03 | 0.04 | 0.02 | 0.02 | 0.02 | 0.01 | 0.02 | 0.03 | 0.03 | 0.02 | 0.01 | 0.01 | 0 | 0 | 1 | 2 | 4 | 7 | 9 | 8 | 17 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.01 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 1 | 0 | 0.5 | 0 | 0.38 | 0 | 0.38 | 0 | 0.19 | 0 | 1 | 0 | 1 | 0 | |||||||||
►void gmx::settleTemplate<gmx::SimdFloat, gmx::SimdFBool, 8, float const*, true, true>(gmx::SettleData const&, int, int, float const*, float const*, float*, float, float*, float (*) [3], bool*) | libgromacs_mpi.so.7.0.0 | 0.07 | 0.07 | 0.06 | 0.06 | 0.05 | 0.05 | 0.04 | 1.33 | 0.68 | 0.43 | 0.23 | 0.12 | 0.1 | 0.06 | 1.33 | 0.63 | 0.31 | 0.15 | 0.07 | 0.04 | 0.02 | 1 | 2 | 4 | 8 | 16 | 24 | 45 | 0.00 | 0.01 | 0.02 | 0.02 | 0.02 | 0.03 | 0.03 | 0.00 | 0.07 | 0.09 | 0.05 | 0.03 | 0.02 | 0.01 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | GNU C++17 11.1.0 -march=armv8.2-a+sve -msve-vector-bits=256 -mlittle-endian -mabi=lp64 -g -O3 -O3 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fasynchronous-unwind-tables -fstack-protect... | 1 | 0 | 1.06 | 0 | 1.07 | 0 | 1.11 | 0 | 1.19 | 0 | 1.04 | 0 | 1.04 | 0 |
○Loop 18241 - settle.cpp:423-674 - libgromacs_mpi.so.7.0.0 [...] | 0.07 | 0.07 | 0.06 | 0.06 | 0.05 | 0.05 | 0.04 | 1.33 | 0.68 | 0.43 | 0.23 | 0.12 | 0.1 | 0.06 | 1.33 | 0.63 | 0.31 | 0.15 | 0.07 | 0.04 | 0.02 | 1 | 2 | 4 | 8 | 16 | 24 | 45 | 0.00 | 0.01 | 0.02 | 0.02 | 0.02 | 0.03 | 0.03 | 0.00 | 0.07 | 0.09 | 0.05 | 0.03 | 0.02 | 0.01 | 1 | 0 | 1.06 | 0 | 1.07 | 0 | 1.11 | 0 | 1.19 | 0 | 1.04 | 0 | 1.04 | 0 | |||||||||
○Loop 18240 - impl_arm_sve_simd_float.h:99-480 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○bond_angle(float const*, float const*, float const*, t_pbc const*, float*, float*, float*, int*, int*) | libgromacs_mpi.so.7.0.0 | 0.07 | 0.07 | 0.08 | 0.07 | 0.06 | 0.05 | 0.05 | 1.36 | 0.75 | 0.48 | 0.28 | 0.19 | 0.13 | 0.11 | 1.36 | 0.71 | 0.38 | 0.17 | 0.09 | 0.04 | 0.02 | 1 | 2 | 4 | 8 | 14 | 23 | 36 | 0.00 | 0.01 | 0.03 | 0.02 | 0.04 | 0.04 | 0.05 | 0.00 | 0.07 | 0.14 | 0.07 | 0.06 | 0.03 | 0.02 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | GNU C++17 11.1.0 -march=armv8.2-a+sve -msve-vector-bits=256 -mlittle-endian -mabi=lp64 -g -O3 -O3 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fasynchronous-unwind-tables -fstack-protect... | 1 | 0 | 0.96 | 0 | 0.89 | 0.01 | 1 | 0 | 0.94 | 0 | 1.06 | 0 | 1.06 | 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_mpi.so.7.0.0 | 0.06 | 0.06 | 0.05 | 0.07 | 0.07 | 0.07 | 0.06 | 1.07 | 0.69 | 0.33 | 0.24 | 0.18 | 0.13 | 0.09 | 1.07 | 0.57 | 0.25 | 0.19 | 0.1 | 0.06 | 0.03 | 1 | 2 | 4 | 8 | 16 | 23 | 45 | 0.00 | 0.02 | 0.01 | 0.02 | 0.04 | 0.04 | 0.05 | 0.00 | 0.17 | 0.05 | 0.05 | 0.05 | 0.03 | 0.02 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | GNU C++17 11.1.0 -march=armv8.2-a+sve -msve-vector-bits=256 -mlittle-endian -mabi=lp64 -g -O3 -O3 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fasynchronous-unwind-tables -fstack-protect... | 1 | 0 | 0.94 | 0 | 1.07 | 0 | 0.7 | 0.02 | 0.67 | 0.02 | 0.56 | 0.03 | 0.56 | 0.03 |
►Loop 5936 - threaded_force_buffer.cpp:170-211 - libgromacs_mpi.so.7.0.0 [...] | 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 | 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 | |||||||||||||||||||||||
►Loop 5933 - threaded_force_buffer.cpp:171-211 - libgromacs_mpi.so.7.0.0 [...] | 0.01 | 0.01 | 0.01 | 0.01 | 0.02 | 0.01 | 0.01 | 0.16 | 0.12 | 0.08 | 0.07 | 0.04 | 0.04 | 0.03 | 0.16 | 0.1 | 0.05 | 0.04 | 0.02 | 0.01 | 0.01 | 1 | 2 | 4 | 8 | 15 | 18 | 35 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.04 | 0.02 | 0.02 | 0.02 | 0.01 | 0.01 | 1 | 0 | 0.8 | 0 | 0.8 | 0 | 0.5 | 0.01 | 0.5 | 0.01 | 0.5 | 0.01 | 0.25 | 0.01 | |||||||||
○Loop 5938 - threaded_force_buffer.cpp:200-200 - libgromacs_mpi.so.7.0.0 [...] | 0.05 | 0.05 | 0.04 | 0.05 | 0.05 | 0.05 | 0.03 | 0.86 | 0.53 | 0.22 | 0.18 | 0.14 | 0.11 | 0.06 | 0.86 | 0.44 | 0.18 | 0.13 | 0.06 | 0.04 | 0.02 | 1 | 2 | 4 | 8 | 15 | 22 | 36 | 0.00 | 0.01 | 0.01 | 0.01 | 0.03 | 0.03 | 0.03 | 0.00 | 0.13 | 0.03 | 0.03 | 0.04 | 0.03 | 0.01 | 1 | 0 | 0.98 | 0 | 1.19 | 0 | 0.83 | 0.01 | 0.9 | 0.01 | 0.67 | 0.02 | 0.67 | 0.01 | |||||||||
○Loop 5937 - threaded_force_buffer.cpp:200-200 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
►Loop 5931 - threaded_force_buffer.cpp:178-211 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0.01 | 0.01 | 0.01 | 0.01 | 0.05 | 0.03 | 0.02 | 0.04 | 0.02 | 0.02 | 0.03 | 0.05 | 0.03 | 0.02 | 0.02 | 0.01 | 0.01 | 0.01 | 1 | 2 | 4 | 8 | 16 | 18 | 36 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 1 | 0 | 0.83 | 0 | 0.63 | 0 | 0.31 | 0.01 | 0.31 | 0.01 | 0.16 | 0.01 | 0.08 | 0.01 | |||||||||
►Loop 5935 - threaded_force_buffer.cpp:207-211 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 5934 - threaded_force_buffer.cpp:209-211 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 5932 - threaded_force_buffer.cpp:182-186 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○atanf | libm-2.31.so | 0.06 | 0.05 | 0.05 | 0.05 | 0.05 | 0.04 | 0.03 | 1.05 | 0.58 | 0.31 | 0.18 | 0.14 | 0.1 | 0.07 | 1.05 | 0.52 | 0.24 | 0.13 | 0.08 | 0.03 | 0.02 | 1 | 2 | 4 | 8 | 15 | 22 | 37 | 0.00 | 0.01 | 0.02 | 0.02 | 0.04 | 0.04 | 0.03 | 0.00 | 0.09 | 0.09 | 0.04 | 0.05 | 0.03 | 0.02 | 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 | 1.09 | 0 | 1.01 | 0 | 0.82 | 0.01 | 1.09 | 0 | 0.82 | 0.01 | |
►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) [clone .isra.0] | libgromacs_mpi.so.7.0.0 | 0.06 | 0.07 | 0.07 | 0.06 | 0.06 | 0.05 | 0.05 | 1.18 | 0.81 | 0.47 | 0.24 | 0.19 | 0.14 | 0.11 | 1.18 | 0.7 | 0.34 | 0.15 | 0.09 | 0.04 | 0.02 | 1 | 2 | 4 | 8 | 15 | 22 | 37 | 0.00 | 0.02 | 0.03 | 0.03 | 0.04 | 0.05 | 0.05 | 0.00 | 0.16 | 0.16 | 0.08 | 0.06 | 0.04 | 0.02 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | GNU C++17 11.1.0 -march=armv8.2-a+sve -msve-vector-bits=256 -mlittle-endian -mabi=lp64 -g -O3 -O3 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fasynchronous-unwind-tables -fstack-protect... | 1 | 0 | 0.84 | 0.01 | 0.87 | 0.01 | 0.98 | 0 | 0.82 | 0.01 | 0.92 | 0 | 0.92 | 0 |
○Loop 19993 - bonded.cpp:129-1867 - libgromacs_mpi.so.7.0.0 [...] | 0.06 | 0.06 | 0.06 | 0.05 | 0.06 | 0.05 | 0.04 | 1.11 | 0.71 | 0.42 | 0.22 | 0.17 | 0.13 | 0.11 | 1.11 | 0.62 | 0.3 | 0.14 | 0.08 | 0.04 | 0.02 | 1 | 2 | 4 | 8 | 15 | 22 | 37 | 0.00 | 0.01 | 0.03 | 0.03 | 0.04 | 0.05 | 0.05 | 0.00 | 0.13 | 0.14 | 0.08 | 0.05 | 0.04 | 0.02 | 1 | 0 | 0.9 | 0.01 | 0.93 | 0 | 0.99 | 0 | 0.87 | 0.01 | 0.87 | 0.01 | 0.87 | 0.01 | |||||||||
►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_mpi.so.7.0.0 | 0.06 | 0.06 | 0.06 | 0.05 | 0.05 | 0.03 | 0.04 | 1.06 | 0.59 | 0.38 | 0.22 | 0.13 | 0.07 | 0.11 | 1.06 | 0.53 | 0.28 | 0.13 | 0.07 | 0.03 | 0.02 | 1 | 2 | 4 | 7 | 15 | 22 | 35 | 0.00 | 0.01 | 0.03 | 0.03 | 0.03 | 0.03 | 0.05 | 0.00 | 0.08 | 0.14 | 0.07 | 0.05 | 0.02 | 0.02 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | GNU C++17 11.1.0 -march=armv8.2-a+sve -msve-vector-bits=256 -mlittle-endian -mabi=lp64 -g -O3 -O3 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fasynchronous-unwind-tables -fstack-protect... | 1 | 0 | 1 | 0 | 0.95 | 0 | 1.02 | 0 | 0.95 | 0 | 1.1 | 0 | 0.83 | 0.01 |
►Loop 20119 - bonded.cpp:1912-2015 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
►Loop 20117 - bonded.cpp:1912-2010 - libgromacs_mpi.so.7.0.0 [...] | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.14 | 0.08 | 0.07 | 0.05 | 0.04 | 0.04 | 0.01 | 0.14 | 0.08 | 0.04 | 0.02 | 0.01 | 0.01 | 0 | 1 | 2 | 3 | 6 | 11 | 17 | 24 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.01 | 0.02 | 0.01 | 0.01 | 0.01 | 0.00 | 1 | 0 | 0.88 | 0 | 0.88 | 0 | 0.88 | 0 | 0.88 | 0 | 0.44 | 0.01 | 1 | 0 | |||||||||
○Loop 20118 - bonded.cpp:1913-2008 - libgromacs_mpi.so.7.0.0 [...] | 0.05 | 0.05 | 0.05 | 0.04 | 0.04 | 0.03 | 0.03 | 0.92 | 0.5 | 0.35 | 0.2 | 0.12 | 0.06 | 0.1 | 0.92 | 0.46 | 0.25 | 0.11 | 0.06 | 0.02 | 0.01 | 1 | 2 | 4 | 7 | 15 | 20 | 35 | 0.00 | 0.01 | 0.02 | 0.02 | 0.03 | 0.02 | 0.04 | 0.00 | 0.07 | 0.12 | 0.06 | 0.04 | 0.02 | 0.02 | 1 | 0 | 1 | 0 | 0.92 | 0 | 1.05 | 0 | 0.96 | 0 | 1.44 | 0 | 1.44 | 0 | |||||||||
○void armpl::fft::execute_dif<std::complex<float>, float, std::complex<float> >(armpl::fft::composition<std::complex<float>, float> const&, long, std::complex<float>*, float*, long, long, long, long, std::complex<f... | libarmpl.so | 0.06 | 0.05 | 0.05 | 0.06 | 0.05 | 0.04 | 0.04 | 1.09 | 0.5 | 0.25 | 0.22 | 0.11 | 0.19 | 0.08 | 1.09 | 0.5 | 0.23 | 0.16 | 0.07 | 0.03 | 0.02 | 1 | 2 | 4 | 8 | 16 | 8 | 16 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.03 | 0.03 | 0.00 | 0.01 | 0.02 | 0.04 | 0.02 | 0.03 | 0.01 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | 1 | 0 | 1.09 | 0 | 1.18 | 0 | 0.85 | 0.01 | 0.97 | 0 | 1.14 | 0 | 0.85 | 0.01 | |
○void armpl::fft::execute_dit<float, std::complex<float>, std::complex<float> >(armpl::fft::composition<float, std::complex<float> > const&, long, float*, std::complex<float>*, long, long, long, long, std::complex<... | libarmpl.so | 0.05 | 0.04 | 0.04 | 0.05 | 0.04 | 0.04 | 0.03 | 0.87 | 0.43 | 0.23 | 0.14 | 0.07 | 0.16 | 0.11 | 0.87 | 0.4 | 0.21 | 0.12 | 0.06 | 0.03 | 0.02 | 1 | 2 | 4 | 8 | 16 | 8 | 16 | 0.00 | 0.00 | 0.01 | 0.01 | 0.01 | 0.03 | 0.05 | 0.00 | 0.05 | 0.02 | 0.02 | 0.02 | 0.03 | 0.02 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | 1 | 0 | 1.09 | 0 | 1.04 | 0 | 0.91 | 0 | 0.91 | 0 | 0.91 | 0 | 0.68 | 0.01 | |
►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_mpi.so.7.0.0 | 0.05 | 0.05 | 0.04 | 0.04 | 0.03 | 0.03 | 0.03 | 0.96 | 0.49 | 0.3 | 0.19 | 0.24 | 0.13 | 0.09 | 0.96 | 0.49 | 0.21 | 0.11 | 0.05 | 0.03 | 0.01 | 1 | 2 | 4 | 8 | 8 | 8 | 16 | 0.00 | 0.00 | 0.02 | 0.02 | 0.07 | 0.02 | 0.06 | 0.00 | 0.01 | 0.08 | 0.04 | 0.10 | 0.02 | 0.03 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | GNU C++17 11.1.0 -march=armv8.2-a+sve -msve-vector-bits=256 -mlittle-endian -mabi=lp64 -g -O3 -O3 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fasynchronous-unwind-tables -fstack-protect... | 1 | 0 | 0.98 | 0 | 1.14 | 0 | 1.09 | 0 | 1.2 | 0 | 1 | 0 | 1.5 | 0 |
►Loop 20057 - bonded.cpp:2179-2260 - libgromacs_mpi.so.7.0.0 [...] | 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 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
►Loop 20055 - bonded.cpp:2179-2254 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 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 | |||||||||||||||||||||||
○Loop 20056 - bonded.cpp:2179-2254 - libgromacs_mpi.so.7.0.0 [...] | 0.05 | 0.05 | 0.04 | 0.04 | 0.03 | 0.03 | 0.03 | 0.96 | 0.48 | 0.3 | 0.19 | 0.24 | 0.13 | 0.09 | 0.96 | 0.48 | 0.21 | 0.11 | 0.05 | 0.03 | 0.01 | 1 | 2 | 4 | 8 | 8 | 8 | 16 | 0.00 | 0.00 | 0.02 | 0.02 | 0.07 | 0.02 | 0.06 | 0.00 | 0.00 | 0.08 | 0.04 | 0.10 | 0.02 | 0.03 | 1 | 0 | 1 | 0 | 1.14 | 0 | 1.09 | 0 | 1.2 | 0 | 1 | 0 | 1.5 | 0 | |||||||||
○sincosf | libm-2.31.so | 0.05 | 0.05 | 0.04 | 0.04 | 0.04 | 0.03 | 0.03 | 0.9 | 0.55 | 0.3 | 0.18 | 0.1 | 0.1 | 0.06 | 0.9 | 0.44 | 0.2 | 0.11 | 0.05 | 0.03 | 0.02 | 1 | 2 | 4 | 8 | 15 | 21 | 37 | 0.00 | 0.02 | 0.02 | 0.02 | 0.03 | 0.03 | 0.03 | 0.00 | 0.16 | 0.12 | 0.06 | 0.04 | 0.02 | 0.02 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | 1 | 0 | 1.02 | 0 | 1.13 | 0 | 1.02 | 0 | 1.13 | 0 | 0.94 | 0 | 0.7 | 0.01 | |
►gmx::Update::Impl::finish_update(t_inputrec const&, bool, int, gmx::ArrayRef<unsigned short const>, t_state*, gmx_wallcycle*, bool) [clone ._omp_fn.0] | libgromacs_mpi.so.7.0.0 | 0.04 | 0.05 | 0.04 | 0.03 | 0.04 | 0.03 | 0.04 | 0.75 | 0.44 | 0.25 | 0.11 | 0.09 | 0.06 | 0.04 | 0.75 | 0.45 | 0.2 | 0.09 | 0.06 | 0.03 | 0.02 | 1 | 2 | 4 | 8 | 16 | 24 | 47 | 0.00 | 0.00 | 0.01 | 0.01 | 0.01 | 0.02 | 0.02 | 0.00 | 0.00 | 0.05 | 0.01 | 0.01 | 0.01 | 0.01 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | GNU C++17 11.1.0 -march=armv8.2-a+sve -msve-vector-bits=256 -mlittle-endian -mabi=lp64 -g -O3 -O3 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fasynchronous-unwind-tables -fstack-protect... | 1 | 0 | 0.83 | 0.01 | 0.94 | 0 | 1.04 | 0 | 0.78 | 0.01 | 0.78 | 0.01 | 0.59 | 0.02 |
►Loop 18413 - update.cpp:1637-1641 - libgromacs_mpi.so.7.0.0 [...] | 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 | 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 | |||||||||||||||||||||||
○Loop 18414 - update.cpp:1641-1641 - libgromacs_mpi.so.7.0.0 | 0.04 | 0.05 | 0.04 | 0.03 | 0.04 | 0.03 | 0.03 | 0.75 | 0.44 | 0.25 | 0.11 | 0.09 | 0.06 | 0.04 | 0.75 | 0.45 | 0.19 | 0.09 | 0.06 | 0.03 | 0.02 | 1 | 2 | 4 | 8 | 16 | 24 | 47 | 0.00 | 0.00 | 0.01 | 0.01 | 0.01 | 0.02 | 0.02 | 0.00 | 0.00 | 0.05 | 0.01 | 0.02 | 0.01 | 0.01 | 1 | 0 | 0.83 | 0.01 | 0.99 | 0 | 1.04 | 0 | 0.78 | 0.01 | 0.78 | 0.01 | 0.59 | 0.01 | |||||||||
►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_mpi.so.7.0.0 | 0.04 | 0 | 0 | 0 | 0 | 0 | 0 | 0.66 | 0 | 0 | 0 | 0 | 0 | 0 | 0.66 | 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 | Others (%): 100.00 | NA | NA | NA | NA | NA | NA | GNU C++17 11.1.0 -march=armv8.2-a+sve -msve-vector-bits=256 -mlittle-endian -mabi=lp64 -g -O3 -O3 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fasynchronous-unwind-tables -fstack-protect... | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
○Loop 4956 - hashedmap.h:277-282 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 4943 - hashedmap.h:277-282 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
►Loop 4955 - ga2la.h:112-114 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
►Loop 4952 - localtopology.cpp:108-716 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
►Loop 4945 - localtopology.cpp:108-716 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
►Loop 4944 - localtopology.cpp:108-716 - libgromacs_mpi.so.7.0.0 [...] | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0.17 | 0 | 0 | 0 | 0 | 0 | 0 | 0.17 | 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 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | |||||||||
►Loop 4947 - localtopology.cpp:416-576 - libgromacs_mpi.so.7.0.0 [...] | 0.02 | 0 | 0 | 0 | 0 | 0 | 0 | 0.41 | 0 | 0 | 0 | 0 | 0 | 0 | 0.41 | 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 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | |||||||||
►Loop 4949 - hashedmap.h:274-282 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.04 | 0 | 0 | 0 | 0 | 0 | 0 | 0.04 | 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 | |||||||||||||||||||||||
○Loop 4948 - hashedmap.h:277-282 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
►Loop 4950 - stl_algo.h:568-577 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 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 | |||||||||||||||||||||||
○Loop 4951 - stl_algo.h:568-577 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 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 | |||||||||||||||||||||||
○Loop 4946 - localtopology.cpp:191-625 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
►Loop 4954 - hashedmap.h:274-282 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 4953 - hashedmap.h:277-282 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 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_x_times_f(int, float const (*) [3], float const (*) [3], bool, float const (*) [3], float (*) [3]) | libgromacs_mpi.so.7.0.0 | 0.03 | 0.03 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.52 | 0.31 | 0.16 | 0.09 | 0.06 | 0.04 | 0.03 | 0.52 | 0.27 | 0.11 | 0.06 | 0.03 | 0.01 | 0.01 | 1 | 2 | 4 | 8 | 16 | 23 | 43 | 0.00 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.02 | 0.00 | 0.06 | 0.04 | 0.03 | 0.01 | 0.01 | 0.01 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | GNU C++17 11.1.0 -march=armv8.2-a+sve -msve-vector-bits=256 -mlittle-endian -mabi=lp64 -g -O3 -O3 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fasynchronous-unwind-tables -fstack-protect... | 1 | 0 | 0.96 | 0 | 1.18 | 0 | 1.08 | 0 | 1.08 | 0 | 1.63 | 0 | 0.81 | 0 |
○Loop 17267 - calcvir.cpp:61-81 - libgromacs_mpi.so.7.0.0 [...] | 0.03 | 0.03 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.52 | 0.31 | 0.16 | 0.09 | 0.06 | 0.04 | 0.03 | 0.52 | 0.27 | 0.11 | 0.06 | 0.03 | 0.01 | 0.01 | 1 | 2 | 4 | 8 | 16 | 23 | 43 | 0.00 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.02 | 0.00 | 0.06 | 0.04 | 0.03 | 0.01 | 0.01 | 0.01 | 1 | 0 | 0.96 | 0 | 1.18 | 0 | 1.08 | 0 | 1.08 | 0 | 1.63 | 0 | 0.81 | 0 | |||||||||
►wrap_periodic_pmegrid(gmx_pme_t const*, float*) | libgromacs_mpi.so.7.0.0 | 0.03 | 0.03 | 0.02 | 0.02 | 0.02 | 0.01 | 0.02 | 0.6 | 0.27 | 0.17 | 0.09 | 0.06 | 0.06 | 0.04 | 0.6 | 0.27 | 0.12 | 0.05 | 0.03 | 0.01 | 0.01 | 1 | 2 | 4 | 8 | 16 | 8 | 16 | 0.00 | 0.00 | 0.01 | 0.01 | 0.01 | 0.01 | 0.02 | 0.00 | 0.01 | 0.03 | 0.02 | 0.01 | 0.01 | 0.01 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | GNU C++17 11.1.0 -march=armv8.2-a+sve -msve-vector-bits=256 -mlittle-endian -mabi=lp64 -g -O3 -O3 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fasynchronous-unwind-tables -fstack-protect... | 1 | 0 | 1.11 | 0 | 1.25 | 0 | 1.5 | 0 | 1.25 | 0 | 1.88 | 0 | 0.94 | 0 |
►Loop 20535 - pme_grid.cpp:430-476 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 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 | |||||||||||||||||||||||
►Loop 20537 - pme_grid.cpp:436-455 - libgromacs_mpi.so.7.0.0 [...] | 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 | 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 | |||||||||||||||||||||||
○Loop 20536 - pme_grid.cpp:453-455 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 20540 - pme_grid.cpp:436-436 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
►Loop 20538 - pme_grid.cpp:436-455 - libgromacs_mpi.so.7.0.0 [...] | 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 | 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 | |||||||||||||||||||||||
○Loop 20539 - pme_grid.cpp:453-455 - libgromacs_mpi.so.7.0.0 | 0.01 | 0.01 | 0.01 | 0 | 0.01 | 0 | 0 | 0.17 | 0.06 | 0.04 | 0.01 | 0.01 | 0.02 | 0.01 | 0.17 | 0.06 | 0.03 | 0.01 | 0.01 | 0 | 0 | 1 | 2 | 3 | 5 | 13 | 7 | 13 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.01 | 0.01 | 0.01 | 0.00 | 0.01 | 0.00 | 1 | 0 | 1.42 | 0 | 1.42 | 0 | 2.13 | 0 | 1.06 | 0 | 1 | 0 | 1 | 0 | |||||||||
►Loop 20528 - pme_grid.cpp:430-476 - libgromacs_mpi.so.7.0.0 [...] | 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 | 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 | |||||||||||||||||||||||
►Loop 20531 - pme_grid.cpp:430-476 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
►Loop 20530 - pme_grid.cpp:430-471 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
►Loop 20532 - pme_grid.cpp:430-471 - libgromacs_mpi.so.7.0.0 [...] | 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 | |||||||||||||||||||||||
○Loop 20533 - pme_grid.cpp:469-471 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.05 | 0 | 0 | 0 | 0 | 0 | 0 | 0.05 | 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 | |||||||||||||||||||||||
○Loop 20529 - pme_grid.cpp:469-471 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 20534 - pme_grid.cpp:430-430 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
►Loop 20542 - pme_grid.cpp:423-442 - libgromacs_mpi.so.7.0.0 [...] | 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 | |||||||||||||||||||||||
○Loop 20541 - pme_grid.cpp:440-442 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 20545 - pme_grid.cpp:423-440 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
►Loop 20543 - pme_grid.cpp:423-442 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.04 | 0.03 | 0.02 | 0.02 | 0.01 | 0.01 | 0.02 | 0.04 | 0.03 | 0.01 | 0.01 | 0 | 0 | 0 | 1 | 2 | 3 | 7 | 11 | 7 | 9 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 1 | 0 | 0.67 | 0 | 1 | 0 | 0.5 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | |||||||||
○Loop 20544 - pme_grid.cpp:440-442 - libgromacs_mpi.so.7.0.0 | 0.02 | 0.02 | 0.02 | 0.01 | 0.01 | 0.01 | 0.01 | 0.31 | 0.19 | 0.12 | 0.05 | 0.04 | 0.03 | 0.03 | 0.32 | 0.18 | 0.08 | 0.03 | 0.02 | 0.01 | 0 | 1 | 2 | 4 | 8 | 16 | 8 | 16 | 0.00 | 0.00 | 0.01 | 0.00 | 0.01 | 0.01 | 0.02 | 0.00 | 0.02 | 0.03 | 0.01 | 0.01 | 0.01 | 0.01 | 1 | 0 | 0.89 | 0 | 1 | 0 | 1.33 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | |||||||||
○Unknown function | libgromacs_mpi.so.7.0.0 | 0.02 | 0.03 | 0.04 | 0.07 | 0.11 | 0.11 | 0.17 | 0.42 | 0.34 | 0.27 | 0.28 | 0.22 | 0.16 | 0.15 | 0.42 | 0.29 | 0.22 | 0.19 | 0.16 | 0.09 | 0.08 | 1 | 2 | 4 | 8 | 16 | 32 | 64 | 0.00 | 0.01 | 0.01 | 0.02 | 0.02 | 0.05 | 0.06 | 0.00 | 0.08 | 0.05 | 0.05 | 0.03 | 0.04 | 0.03 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | 1 | 0 | 0.72 | 0.01 | 0.48 | 0.02 | 0.28 | 0.05 | 0.16 | 0.09 | 0.15 | 0.09 | 0.08 | 0.16 | |
○__exp_finite | libm-2.31.so | 0.02 | 0.03 | 0.06 | 0.12 | 0.23 | 0.33 | 0.56 | 0.31 | 0.3 | 0.33 | 0.34 | 0.37 | 0.4 | 0.38 | 0.31 | 0.28 | 0.31 | 0.31 | 0.33 | 0.27 | 0.26 | 1 | 2 | 4 | 8 | 16 | 32 | 64 | 0.00 | 0.00 | 0.00 | 0.01 | 0.02 | 0.11 | 0.17 | 0.00 | 0.03 | 0.01 | 0.02 | 0.02 | 0.09 | 0.08 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | 1 | 0 | 0.55 | 0.01 | 0.25 | 0.04 | 0.13 | 0.1 | 0.06 | 0.22 | 0.04 | 0.32 | 0.02 | 0.55 | |
►setupForceOutputs(ForceHelperBuffers*, gmx::ArrayRefWithPadding<gmx::BasicVector<float> >, gmx::DomainLifetimeWorkload const&, gmx::StepWorkload const&, bool, gmx_wallcycle*) [clone .constprop.0] | libgromacs_mpi.so.7.0.0 | 0.02 | 0.04 | 0.05 | 0.06 | 0.06 | 0.06 | 0.06 | 0.47 | 0.38 | 0.29 | 0.21 | 0.13 | 0.11 | 0.08 | 0.47 | 0.36 | 0.24 | 0.16 | 0.08 | 0.05 | 0.03 | 1 | 2 | 4 | 8 | 16 | 24 | 48 | 0.00 | 0.00 | 0.01 | 0.02 | 0.02 | 0.03 | 0.03 | 0.00 | 0.04 | 0.04 | 0.05 | 0.02 | 0.02 | 0.01 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | GNU C++17 11.1.0 -march=armv8.2-a+sve -msve-vector-bits=256 -mlittle-endian -mabi=lp64 -g -O3 -O3 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fasynchronous-unwind-tables -fstack-protect... | 1 | 0 | 0.65 | 0.01 | 0.49 | 0.03 | 0.37 | 0.04 | 0.37 | 0.04 | 0.29 | 0.04 | 0.24 | 0.05 |
○Loop 18301 - sim_util.cpp:466-466 - libgromacs_mpi.so.7.0.0 [...] | 0.02 | 0.04 | 0.04 | 0.05 | 0.05 | 0.05 | 0.05 | 0.41 | 0.36 | 0.27 | 0.19 | 0.12 | 0.1 | 0.08 | 0.41 | 0.34 | 0.21 | 0.14 | 0.07 | 0.04 | 0.02 | 1 | 2 | 4 | 8 | 16 | 24 | 48 | 0.00 | 0.00 | 0.01 | 0.02 | 0.02 | 0.03 | 0.03 | 0.00 | 0.02 | 0.04 | 0.05 | 0.02 | 0.02 | 0.01 | 1 | 0 | 0.6 | 0.02 | 0.49 | 0.02 | 0.37 | 0.03 | 0.37 | 0.03 | 0.32 | 0.03 | 0.32 | 0.03 | |||||||||
○Loop 18299 - sim_util.cpp:466-466 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0.01 | 0 | 0.01 | 0.01 | 0.05 | 0.02 | 0.04 | 0.02 | 0.02 | 0.01 | 0.01 | 0.05 | 0.02 | 0.02 | 0.01 | 0.01 | 0.01 | 0 | 1 | 2 | 4 | 7 | 12 | 18 | 24 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 1 | 0 | 1.25 | 0 | 0.63 | 0 | 0.63 | 0 | 0.31 | 0 | 0.16 | 0.01 | 1 | 0 | |||||||||
○Loop 18298 - arrayrefwithpadding.h:108-155 - libgromacs_mpi.so.7.0.0 [...] | 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 | 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 | |||||||||||||||||||||||
○Loop 18300 - sim_util.cpp:466-466 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○__atan2f_finite | libm-2.31.so | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.36 | 0.27 | 0.16 | 0.1 | 0.06 | 0.05 | 0.03 | 0.36 | 0.22 | 0.11 | 0.06 | 0.03 | 0.02 | 0.01 | 1 | 2 | 4 | 7 | 14 | 22 | 30 | 0.00 | 0.01 | 0.01 | 0.01 | 0.01 | 0.02 | 0.02 | 0.00 | 0.07 | 0.05 | 0.03 | 0.02 | 0.02 | 0.01 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | 1 | 0 | 0.82 | 0 | 0.82 | 0 | 0.75 | 0.01 | 0.75 | 0.01 | 0.56 | 0.01 | 0.56 | 0.01 | |
►unwrap_periodic_pmegrid(gmx_pme_t*, float*) [clone ._omp_fn.1] | libgromacs_mpi.so.7.0.0 | 0.02 | 0.03 | 0.03 | 0.03 | 0.03 | 0.01 | 0.02 | 0.33 | 0.3 | 0.16 | 0.1 | 0.07 | 0.09 | 0.07 | 0.33 | 0.27 | 0.14 | 0.08 | 0.04 | 0.01 | 0.01 | 1 | 2 | 4 | 8 | 16 | 8 | 16 | 0.00 | 0.01 | 0.01 | 0.01 | 0.01 | 0.02 | 0.04 | 0.00 | 0.05 | 0.03 | 0.02 | 0.01 | 0.02 | 0.02 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | GNU C++17 11.1.0 -march=armv8.2-a+sve -msve-vector-bits=256 -mlittle-endian -mabi=lp64 -g -O3 -O3 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fasynchronous-unwind-tables -fstack-protect... | 1 | 0 | 0.61 | 0.01 | 0.59 | 0.01 | 0.52 | 0.01 | 0.52 | 0.01 | 1.03 | 0 | 0.52 | 0.01 |
►Loop 20502 - pme_grid.cpp:529-539 - libgromacs_mpi.so.7.0.0 [...] | 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 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
►Loop 20500 - pme_grid.cpp:529-539 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
►Loop 20501 - pme_grid.cpp:535-539 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.05 | 0.02 | 0.01 | 0.01 | 0.02 | 0.01 | 0.01 | 0.05 | 0.02 | 0.01 | 0.01 | 0.01 | 0 | 0 | 1 | 2 | 4 | 5 | 13 | 8 | 11 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 1 | 0 | 1.25 | 0 | 1.25 | 0 | 0.63 | 0 | 0.31 | 0 | 1 | 0 | 1 | 0 | |||||||||
○Loop 20503 - pme_grid.cpp:537-539 - libgromacs_mpi.so.7.0.0 | 0.01 | 0.03 | 0.03 | 0.03 | 0.03 | 0.01 | 0.02 | 0.27 | 0.28 | 0.15 | 0.09 | 0.06 | 0.08 | 0.06 | 0.27 | 0.25 | 0.13 | 0.07 | 0.04 | 0.01 | 0.01 | 1 | 2 | 4 | 8 | 16 | 8 | 16 | 0.00 | 0.01 | 0.01 | 0.01 | 0.01 | 0.02 | 0.04 | 0.00 | 0.05 | 0.03 | 0.02 | 0.01 | 0.02 | 0.02 | 1 | 0 | 0.54 | 0.01 | 0.52 | 0.01 | 0.48 | 0.02 | 0.42 | 0.02 | 0.84 | 0 | 0.42 | 0.01 | |||||||||
○Loop 20499 - pme_grid.cpp:537-539 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 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 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_mpi.so.7.0.0 | 0.02 | 0 | 0 | 0 | 0 | 0 | 0 | 0.34 | 0 | 0 | 0 | 0 | 0 | 0 | 0.34 | 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 | Others (%): 100.00 | NA | NA | NA | NA | NA | NA | GNU C++17 11.1.0 -march=armv8.2-a+sve -msve-vector-bits=256 -mlittle-endian -mabi=lp64 -g -O3 -O3 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fasynchronous-unwind-tables -fstack-protect... | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
►Loop 4974 - stl_uninitialized.h:1010-1011 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
►Loop 4975 - stl_vector.h:346-1798 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
►Loop 4976 - localtopology.cpp:737-777 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.08 | 0 | 0 | 0 | 0 | 0 | 0 | 0.08 | 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 | |||||||||||||||||||||||
○Loop 4979 - stl_algobase.h:383-385 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
►Loop 4982 - stl_vector.h:919-1198 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 4981 - hashedmap.h:277-282 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 4980 - stl_algobase.h:383-385 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.06 | 0 | 0 | 0 | 0 | 0 | 0 | 0.06 | 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 | |||||||||||||||||||||||
○Loop 4977 - stl_algobase.h:383-385 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 4978 - stl_algobase.h:383-385 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
►Loop 4983 - stl_vector.h:919-1198 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.09 | 0 | 0 | 0 | 0 | 0 | 0 | 0.09 | 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 | |||||||||||||||||||||||
○Loop 4973 - hashedmap.h:277-282 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 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::fillCell(Nbnxm::GridSetData*, nbnxn_atomdata_t*, int, int, gmx::ArrayRef<long const>, gmx::ArrayRef<gmx::BasicVector<float> const>, Nbnxm::BoundingBox*) | libgromacs_mpi.so.7.0.0 | 0.02 | 0.02 | 0.03 | 0.03 | 0.03 | 0.03 | 0.04 | 0.3 | 0.23 | 0.14 | 0.1 | 0.07 | 0.07 | 0.05 | 0.3 | 0.2 | 0.13 | 0.07 | 0.04 | 0.03 | 0.02 | 1 | 2 | 4 | 8 | 16 | 24 | 47 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.02 | 0.02 | 0.00 | 0.04 | 0.01 | 0.02 | 0.02 | 0.02 | 0.01 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | GNU C++17 11.1.0 -march=armv8.2-a+sve -msve-vector-bits=256 -mlittle-endian -mabi=lp64 -g -O3 -O3 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fasynchronous-unwind-tables -fstack-protect... | 1 | 0 | 0.75 | 0.01 | 0.58 | 0.01 | 0.54 | 0.01 | 0.47 | 0.02 | 0.31 | 0.02 | 0.23 | 0.03 |
○Loop 2900 - grid.cpp:921-923 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 2898 - grid.cpp:598-598 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 2896 - grid.cpp:504-504 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 2899 - grid.cpp:633-633 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 2895 - grid.cpp:504-504 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 2894 - grid.cpp:476-476 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 2901 - grid.cpp:911-915 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
►Loop 2892 - grid.cpp:816-866 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 2 | 2 | 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 | |||||||||||||||||||||||
►Loop 2891 - grid.cpp:816-866 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.04 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.04 | 0.01 | 0.02 | 0 | 0 | 0 | 0 | 1 | 2 | 4 | 5 | 9 | 13 | 19 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 2893 - grid.cpp:823-829 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0.03 | 0.01 | 0.02 | 0.01 | 0.02 | 0.01 | 0.01 | 0.02 | 0.01 | 0.01 | 0 | 0 | 0 | 1 | 2 | 3 | 5 | 10 | 11 | 13 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 0.00 | 1 | 0 | 0.25 | 0 | 0.25 | 0 | 0.13 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | |||||||||
○Loop 2890 - grid.cpp:816-866 - libgromacs_mpi.so.7.0.0 [...] | 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 | 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 | |||||||||||||||||||||||
○Loop 2897 - grid.cpp:531-531 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 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, int, t_state*, gmx_mtop_t const&, t_inputrec const&, gmx::ImdSession*, pull_t*, t_state*, gmx::ForceBuffers*, gmx::MDAtoms*, gmx_localtop_t*, t_forcerec*, g... | libgromacs_mpi.so.7.0.0 | 0.01 | 0.01 | 0.01 | 0.01 | 0.02 | 0.01 | 0.01 | 0.12 | 0.07 | 0.05 | 0.05 | 0.04 | 0.03 | 0.02 | 0.12 | 0.07 | 0.04 | 0.03 | 0.03 | 0.01 | 0 | 1 | 2 | 4 | 8 | 16 | 22 | 36 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 0.02 | 0.01 | 0.01 | 0.01 | 0.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | GNU C++17 11.1.0 -march=armv8.2-a+sve -msve-vector-bits=256 -mlittle-endian -mabi=lp64 -g -O3 -O3 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fasynchronous-unwind-tables -fstack-protect... | 1 | 0 | 0.86 | 0 | 0.75 | 0 | 0.5 | 0.01 | 0.25 | 0.01 | 0.38 | 0.01 | 1 | 0 |
○Loop 5166 - partition.cpp:2517-2519 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 5172 - hashedmap.h:290-293 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0.02 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 18 | 26 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 5167 - hashedmap.h:277-282 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 5164 - partition.cpp:1277-1279 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 5169 - partition.cpp:2517-2519 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.02 | 0 | 0.01 | 0 | 0.01 | 0 | 0 | 0.02 | 0 | 0.01 | 0 | 0 | 0 | 1 | 2 | 1 | 5 | 3 | 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 | |||||||||||||||||||||||
○Loop 5171 - partition.cpp:2517-2519 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.04 | 0 | 0 | 0 | 0.01 | 0 | 0.01 | 0.04 | 0.01 | 0 | 0 | 0 | 0 | 0 | 1 | 2 | 1 | 4 | 2 | 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 | |||||||||||||||||||||||
►Loop 5131 - partition.cpp:442-3381 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 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 | |||||||||||||||||||||||
○Loop 5132 - partition.cpp:628-3227 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 5133 - partition.cpp:3233-3233 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 5158 - char_traits.h:329-409 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 5161 - partition.cpp:1268-1272 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 5130 - partition.cpp:1178-1180 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
►Loop 5134 - partition.cpp:442-3381 - libgromacs_mpi.so.7.0.0 [...] | 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 | 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 | |||||||||||||||||||||||
►Loop 5152 - partition.cpp:485-487 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 5153 - utility.h:89-89 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 5139 - partition.cpp:2213-2217 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 5151 - partition.cpp:445-447 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 5145 - partition.cpp:2517-2519 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 0 | 1 | 2 | 2 | 3 | 6 | 3 | 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 | |||||||||||||||||||||||
○Loop 5148 - partition.cpp:2517-2519 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0 | 0 | 0.01 | 0 | 0 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 2 | 3 | 3 | 1 | 8 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 5147 - stl_algobase.h:383-385 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 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 | |||||||||||||||||||||||
○Loop 5136 - partition.cpp:573-604 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 5137 - partition.cpp:551-565 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 5150 - partition.cpp:445-447 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 5155 - partition.cpp:445-447 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 5135 - stdio2.h:100-100 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 5146 - stl_algobase.h:383-385 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 5154 - partition.cpp:445-447 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 5140 - partition.cpp:445-447 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 5157 - partition.cpp:465-467 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 5143 - stl_algobase.h:383-385 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 5142 - ga2la.h:156-158 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0.01 | 0.02 | 0 | 0 | 0 | 0.01 | 0.02 | 0.03 | 0.03 | 0 | 0 | 0 | 0.01 | 0.01 | 0.02 | 0.02 | 0 | 0 | 1 | 2 | 4 | 8 | 16 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 5144 - stl_algobase.h:383-385 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 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 | |||||||||||||||||||||||
○Loop 5156 - partition.cpp:465-467 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 5141 - partition.cpp:445-447 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 5149 - partition.cpp:2552-2557 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.03 | 0.01 | 0.01 | 0.01 | 0.01 | 0 | 0 | 0.03 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 1 | 2 | 2 | 3 | 4 | 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 | |||||||||||||||||||||||
○Loop 5162 - partition.cpp:1227-1227 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
►Loop 5159 - partition.cpp:485-487 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 5160 - utility.h:89-89 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 5138 - partition.cpp:3196-3198 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 5165 - stl_algobase.h:383-385 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 5163 - partition.cpp:1277-1283 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 5173 - partition.cpp:722-729 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 5168 - stl_algobase.h:383-385 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0 | 0 | 0.01 | 0 | 0 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 2 | 3 | 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 | |||||||||||||||||||||||
○Loop 5170 - stl_algobase.h:383-385 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 0 | 1 | 2 | 2 | 0 | 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 | |||||||||||||||||||||||
○Loop 5129 - basic_string.h:187-237 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 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 get_cell_range<1>(float, float, Nbnxm::Grid::Dimensions const&, float, float, int*, int*) | libgromacs_mpi.so.7.0.0 | 0.01 | 0.02 | 0.03 | 0.03 | 0.05 | 0.04 | 0.05 | 0.24 | 0.19 | 0.16 | 0.1 | 0.13 | 0.08 | 0.06 | 0.24 | 0.19 | 0.14 | 0.08 | 0.07 | 0.03 | 0.02 | 1 | 2 | 4 | 8 | 16 | 24 | 48 | 0.00 | 0.00 | 0.00 | 0.01 | 0.02 | 0.02 | 0.02 | 0.00 | 0.01 | 0.01 | 0.02 | 0.02 | 0.02 | 0.01 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | GNU C++17 11.1.0 -march=armv8.2-a+sve -msve-vector-bits=256 -mlittle-endian -mabi=lp64 -g -O3 -O3 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fasynchronous-unwind-tables -fstack-protect... | 1 | 0 | 0.63 | 0.01 | 0.43 | 0.02 | 0.38 | 0.02 | 0.21 | 0.04 | 0.25 | 0.03 | 0.19 | 0.04 |
►Loop 3770 - pairlist.cpp:273-287 - libgromacs_mpi.so.7.0.0 | 0.01 | 0.01 | 0.01 | 0.02 | 0.02 | 0.02 | 0.02 | 0.12 | 0.13 | 0.08 | 0.06 | 0.1 | 0.06 | 0.03 | 0.12 | 0.11 | 0.06 | 0.04 | 0.03 | 0.02 | 0.01 | 1 | 2 | 4 | 8 | 16 | 24 | 46 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.02 | 0.02 | 0.00 | 0.02 | 0.01 | 0.02 | 0.02 | 0.01 | 0.01 | 1 | 0 | 0.55 | 0 | 0.5 | 0.01 | 0.38 | 0.01 | 0.25 | 0.01 | 0.19 | 0.02 | 0.19 | 0.02 | |||||||||
○Loop 3771 - pairlist.cpp:281-285 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.03 | 0.03 | 0.04 | 0.03 | 0.02 | 0.02 | 0.02 | 0.03 | 0.03 | 0.03 | 0.01 | 0.01 | 0.01 | 0.01 | 1 | 2 | 4 | 8 | 16 | 21 | 34 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 1 | 0 | 0.5 | 0 | 0.25 | 0.01 | 0.38 | 0.01 | 0.19 | 0.01 | 0.09 | 0.01 | 0.05 | 0.01 | |||||||||
○erfcf | libm-2.31.so | 0.01 | 0.02 | 0.04 | 0.07 | 0.12 | 0.17 | 0.32 | 0.2 | 0.19 | 0.21 | 0.21 | 0.21 | 0.27 | 0.22 | 0.2 | 0.19 | 0.18 | 0.17 | 0.17 | 0.14 | 0.15 | 1 | 2 | 4 | 8 | 16 | 32 | 64 | 0.00 | 0.00 | 0.01 | 0.01 | 0.02 | 0.06 | 0.11 | 0.00 | 0.01 | 0.03 | 0.03 | 0.02 | 0.05 | 0.05 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | 1 | 0 | 0.53 | 0.01 | 0.28 | 0.03 | 0.15 | 0.06 | 0.07 | 0.11 | 0.04 | 0.16 | 0.02 | 0.31 | |
►Nbnxm::sort_atoms(int, bool, int, bool, int*, int, gmx::ArrayRef<gmx::BasicVector<float> const>, float, float, int, gmx::ArrayRef<int>) [clone .constprop.2] [clone .isra.0] | libgromacs_mpi.so.7.0.0 | 0.01 | 0.02 | 0.02 | 0.03 | 0.02 | 0.02 | 0.02 | 0.27 | 0.2 | 0.12 | 0.08 | 0.05 | 0.04 | 0.03 | 0.27 | 0.18 | 0.1 | 0.07 | 0.03 | 0.02 | 0.01 | 1 | 2 | 4 | 8 | 16 | 24 | 44 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.01 | 0.00 | 0.02 | 0.02 | 0.01 | 0.01 | 0.01 | 0.01 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | GNU C++17 11.1.0 -march=armv8.2-a+sve -msve-vector-bits=256 -mlittle-endian -mabi=lp64 -g -O3 -O3 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fasynchronous-unwind-tables -fstack-protect... | 1 | 0 | 0.75 | 0 | 0.68 | 0.01 | 0.48 | 0.02 | 0.56 | 0.01 | 0.42 | 0.01 | 0.42 | 0.01 |
○Loop 2887 - grid.cpp:415-420 - libgromacs_mpi.so.7.0.0 | 0.01 | 0.01 | 0.01 | 0.02 | 0.01 | 0.02 | 0.01 | 0.19 | 0.13 | 0.09 | 0.07 | 0.03 | 0.03 | 0.02 | 0.19 | 0.12 | 0.07 | 0.05 | 0.02 | 0.01 | 0.01 | 1 | 2 | 4 | 8 | 16 | 24 | 41 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.02 | 0.02 | 0.02 | 0.01 | 0.01 | 0.01 | 1 | 0 | 0.79 | 0 | 0.68 | 0 | 0.47 | 0.01 | 0.59 | 0 | 0.59 | 0.01 | 0.3 | 0.01 | |||||||||
►Loop 2889 - grid.cpp:329-407 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0.01 | 0 | 0 | 0 | 0.06 | 0.05 | 0.03 | 0.02 | 0.01 | 0.01 | 0.01 | 0.06 | 0.04 | 0.02 | 0.02 | 0.01 | 0 | 0 | 1 | 2 | 4 | 8 | 11 | 14 | 21 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.02 | 0.01 | 0.01 | 0.00 | 0.00 | 0.00 | 1 | 0 | 0.75 | 0 | 0.75 | 0 | 0.38 | 0.01 | 0.38 | 0 | 1 | 0 | 1 | 0 | |||||||||
○Loop 2888 - grid.cpp:385-387 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.02 | 0.02 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.02 | 0.02 | 0.01 | 0.01 | 0 | 0 | 0 | 1 | 2 | 3 | 6 | 8 | 7 | 10 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
►atoms2md(gmx_mtop_t const&, t_inputrec const&, int, gmx::ArrayRef<int>, int, gmx::MDAtoms*) [clone ._omp_fn.0] | libgromacs_mpi.so.7.0.0 | 0.01 | 0.01 | 0.01 | 0.02 | 0.02 | 0.03 | 0.03 | 0.17 | 0.15 | 0.08 | 0.08 | 0.05 | 0.05 | 0.04 | 0.17 | 0.12 | 0.07 | 0.06 | 0.03 | 0.02 | 0.02 | 1 | 2 | 4 | 8 | 15 | 24 | 48 | 0.00 | 0.01 | 0.00 | 0.01 | 0.01 | 0.01 | 0.02 | 0.00 | 0.05 | 0.01 | 0.02 | 0.01 | 0.01 | 0.01 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | GNU C++17 11.1.0 -march=armv8.2-a+sve -msve-vector-bits=256 -mlittle-endian -mabi=lp64 -g -O3 -O3 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fasynchronous-unwind-tables -fstack-protect... | 1 | 0 | 0.71 | 0 | 0.61 | 0 | 0.35 | 0.01 | 0.35 | 0.01 | 0.27 | 0.02 | 0.13 | 0.03 |
►Loop 18015 - mdatoms.cpp:327-497 - libgromacs_mpi.so.7.0.0 [...] | 0.01 | 0.01 | 0.01 | 0.02 | 0.02 | 0.03 | 0.03 | 0.16 | 0.15 | 0.07 | 0.08 | 0.04 | 0.04 | 0.04 | 0.16 | 0.11 | 0.06 | 0.05 | 0.02 | 0.02 | 0.02 | 1 | 2 | 4 | 8 | 15 | 24 | 48 | 0.00 | 0.01 | 0.00 | 0.01 | 0.01 | 0.01 | 0.02 | 0.00 | 0.05 | 0.01 | 0.02 | 0.01 | 0.01 | 0.01 | 1 | 0 | 0.73 | 0 | 0.67 | 0 | 0.4 | 0.01 | 0.5 | 0.01 | 0.25 | 0.02 | 0.13 | 0.03 | |||||||||
○Loop 18016 - mtop_lookup.h:93-106 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0.01 | 0.01 | 0 | 0.01 | 0.01 | 0 | 0.01 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 1 | 2 | 3 | 3 | 2 | 8 | 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 | |||||||||||||||||||||||
►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> >*) [clone .isra.0] | libgromacs_mpi.so.7.0.0 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.23 | 0.13 | 0.06 | 0.05 | 0.03 | 0.02 | 0.02 | 0.23 | 0.11 | 0.05 | 0.02 | 0.01 | 0.01 | 0 | 1 | 2 | 4 | 8 | 11 | 17 | 26 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.04 | 0.02 | 0.02 | 0.01 | 0.01 | 0.01 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | GNU C++17 11.1.0 -march=armv8.2-a+sve -msve-vector-bits=256 -mlittle-endian -mabi=lp64 -g -O3 -O3 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fasynchronous-unwind-tables -fstack-protect... | 1 | 0 | 1.05 | 0 | 1.15 | 0 | 1.44 | 0 | 1.44 | 0 | 0.72 | 0 | 1 | 0 |
►Loop 4705 - stl_vector.h:919-1798 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.04 | 0.01 | 0.01 | 0.01 | 0 | 0 | 0 | 0.04 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 1 | 1 | 3 | 4 | 3 | 3 | 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 | |||||||||||||||||||||||
►Loop 4704 - domdec_constraints.cpp:314-375 - libgromacs_mpi.so.7.0.0 [...] | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0.11 | 0.07 | 0.03 | 0.02 | 0.01 | 0.01 | 0.01 | 0.11 | 0.05 | 0.02 | 0.01 | 0.01 | 0 | 0 | 1 | 2 | 4 | 4 | 9 | 10 | 14 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.03 | 0.01 | 0.01 | 0.00 | 0.00 | 0.00 | 1 | 0 | 1.1 | 0 | 1.38 | 0 | 1.38 | 0 | 0.69 | 0 | 1 | 0 | 1 | 0 | |||||||||
►Loop 4706 - domdec_constraints.cpp:314-338 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.07 | 0.04 | 0.02 | 0.02 | 0.01 | 0.01 | 0 | 0.07 | 0.04 | 0.02 | 0.01 | 0 | 0 | 0 | 1 | 2 | 4 | 6 | 6 | 9 | 9 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 0.00 | 1 | 0 | 0.88 | 0 | 0.88 | 0 | 0.88 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | |||||||||
○Loop 4707 - mtop_lookup.h:93-106 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 1 | 2 | 1 | 1 | 0 | 3 | 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 | |||||||||||||||||||||||
○Loop 4703 - hashedmap.h:277-282 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 8 | 10 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○__nss_database_lookup | libc-2.31.so | 0.01 | 0.01 | 0.01 | 0.02 | 0.04 | 0.02 | 0.04 | 0.1 | 0.09 | 0.09 | 0.06 | 0.09 | 0.09 | 0.09 | 0.1 | 0.08 | 0.07 | 0.05 | 0.06 | 0.02 | 0.02 | 1 | 2 | 4 | 8 | 16 | 16 | 28 | 0.00 | 0.00 | 0.00 | 0.00 | 0.02 | 0.04 | 0.07 | 0.00 | 0.01 | 0.02 | 0.01 | 0.02 | 0.03 | 0.03 | Others (%): 52.38 Math (%): 42.86 Pthread (%): 4.76 | Math (%): 69.70 MPI (%): 3.03 Others (%): 27.27 | Math (%): 83.64 Others (%): 7.27 MPI (%): 5.45 OMP (%): 1.82 Pthread (%): 1.82 | Math (%): 94.05 Others (%): 4.76 Pthread (%): 1.19 | Math (%): 94.32 MPI (%): 2.84 Others (%): 1.70 OMP (%): 0.57 Pthread (%): 0.57 | Math (%): 86.78 MPI (%): 7.44 Others (%): 5.79 | Math (%): 88.11 MPI (%): 7.49 Others (%): 2.20 Pthread (%): 1.76 OMP (%): 0.44 | 1 | 0 | 0.63 | 0 | 0.36 | 0.01 | 0.25 | 0.01 | 0.1 | 0.04 | 0.16 | 0.02 | 0.08 | 0.04 | |
○sloejit::function::finalise(sloejit::stack_frame_info const*) | libarmpl.so | 0.01 | 0.02 | 0.04 | 0.08 | 0.14 | 0.06 | 0.1 | 0.17 | 0.22 | 0.2 | 0.24 | 0.23 | 0.22 | 0.22 | 0.17 | 0.22 | 0.18 | 0.2 | 0.2 | 0.05 | 0.05 | 1 | 2 | 4 | 8 | 16 | 8 | 16 | 0.00 | 0.00 | 0.01 | 0.01 | 0.01 | 0.02 | 0.06 | 0.00 | 0.01 | 0.03 | 0.03 | 0.02 | 0.02 | 0.03 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | 1 | 0 | 0.39 | 0.01 | 0.24 | 0.03 | 0.11 | 0.07 | 0.05 | 0.13 | 0.11 | 0.05 | 0.05 | 0.09 | |
○pthread_attr_setschedparam | libc-2.31.so | 0.01 | 0.02 | 0.03 | 0.06 | 0.11 | 0.05 | 0.09 | 0.15 | 0.17 | 0.16 | 0.2 | 0.2 | 0.16 | 0.2 | 0.15 | 0.16 | 0.13 | 0.15 | 0.15 | 0.04 | 0.04 | 1 | 2 | 4 | 8 | 16 | 27 | 37 | 0.00 | 0.00 | 0.00 | 0.01 | 0.02 | 0.08 | 0.17 | 0.00 | 0.02 | 0.02 | 0.02 | 0.03 | 0.06 | 0.08 | Math (%): 93.33 OMP (%): 3.33 Pthread (%): 3.33 | Math (%): 88.89 Pthread (%): 11.11 | Math (%): 95.33 Pthread (%): 4.67 | Math (%): 91.43 Pthread (%): 4.49 OMP (%): 4.08 | Math (%): 93.50 OMP (%): 2.64 Pthread (%): 2.44 MPI (%): 1.42 | Math (%): 86.21 Pthread (%): 5.75 OMP (%): 4.98 MPI (%): 3.07 | Math (%): 91.21 OMP (%): 3.71 Pthread (%): 2.93 MPI (%): 2.15 | 1 | 0 | 0.47 | 0.01 | 0.29 | 0.02 | 0.13 | 0.05 | 0.06 | 0.1 | 0.12 | 0.04 | 0.06 | 0.08 | |
○__expf_finite | libm-2.31.so | 0.01 | 0.03 | 0.05 | 0.09 | 0.17 | 0.26 | 0.45 | 0.16 | 0.27 | 0.27 | 0.25 | 0.27 | 0.33 | 0.31 | 0.16 | 0.25 | 0.24 | 0.23 | 0.24 | 0.22 | 0.21 | 1 | 2 | 4 | 8 | 16 | 32 | 64 | 0.00 | 0.00 | 0.00 | 0.01 | 0.02 | 0.08 | 0.14 | 0.00 | 0.02 | 0.02 | 0.01 | 0.02 | 0.07 | 0.07 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | 1 | 0 | 0.32 | 0.02 | 0.17 | 0.04 | 0.09 | 0.08 | 0.04 | 0.16 | 0.02 | 0.25 | 0.01 | 0.44 | |
►unwrap_periodic_pmegrid(gmx_pme_t*, float*) [clone ._omp_fn.0] | libgromacs_mpi.so.7.0.0 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.13 | 0.09 | 0.06 | 0.03 | 0.04 | 0.03 | 0.02 | 0.13 | 0.08 | 0.04 | 0.02 | 0.02 | 0.01 | 0 | 1 | 2 | 4 | 8 | 14 | 8 | 13 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.01 | 0.00 | 0.02 | 0.02 | 0.01 | 0.01 | 0.01 | 0.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | GNU C++17 11.1.0 -march=armv8.2-a+sve -msve-vector-bits=256 -mlittle-endian -mabi=lp64 -g -O3 -O3 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fasynchronous-unwind-tables -fstack-protect... | 1 | 0 | 0.81 | 0 | 0.81 | 0 | 0.81 | 0 | 0.41 | 0.01 | 0.41 | 0.01 | 1 | 0 |
►Loop 20497 - pme_grid.cpp:512-522 - libgromacs_mpi.so.7.0.0 [...] | 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 | |||||||||||||||||||||||
►Loop 20495 - pme_grid.cpp:512-522 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
►Loop 20496 - pme_grid.cpp:518-522 - libgromacs_mpi.so.7.0.0 | 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 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 20498 - pme_grid.cpp:520-522 - libgromacs_mpi.so.7.0.0 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0 | 0.13 | 0.09 | 0.05 | 0.02 | 0.04 | 0.03 | 0.02 | 0.13 | 0.08 | 0.03 | 0.02 | 0.02 | 0 | 0 | 1 | 2 | 4 | 8 | 14 | 8 | 12 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.01 | 0.00 | 0.02 | 0.02 | 0.01 | 0.01 | 0.01 | 0.00 | 1 | 0 | 0.81 | 0 | 1.08 | 0 | 0.81 | 0 | 0.41 | 0.01 | 1 | 0 | 1 | 0 | |||||||||
○Loop 20494 - pme_grid.cpp:520-522 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
►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_mpi.so.7.0.0 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.23 | 0.09 | 0.06 | 0.03 | 0.04 | 0.04 | 0.02 | 0.23 | 0.08 | 0.04 | 0.02 | 0.01 | 0.01 | 0 | 1 | 2 | 4 | 8 | 6 | 9 | 13 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.01 | 0.00 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | GNU C++17 11.1.0 -march=armv8.2-a+sve -msve-vector-bits=256 -mlittle-endian -mabi=lp64 -g -O3 -O3 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fasynchronous-unwind-tables -fstack-protect... | 1 | 0 | 1.44 | 0 | 1.44 | 0 | 1.44 | 0 | 1.44 | 0 | 0.72 | 0 | 1 | 0 |
►Loop 20130 - bonded.cpp:1825-2333 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
►Loop 20128 - bonded.cpp:1825-2325 - libgromacs_mpi.so.7.0.0 [...] | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0.15 | 0.05 | 0.03 | 0.01 | 0.01 | 0.02 | 0.01 | 0.16 | 0.04 | 0.02 | 0.01 | 0 | 0 | 0 | 1 | 2 | 4 | 8 | 6 | 6 | 9 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 1 | 0 | 2 | 0 | 2 | 0 | 2 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | |||||||||
○Loop 20129 - bonded.cpp:1825-2325 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.07 | 0.04 | 0.03 | 0.02 | 0.03 | 0.02 | 0.01 | 0.07 | 0.04 | 0.02 | 0.01 | 0 | 0 | 0 | 1 | 2 | 4 | 6 | 5 | 8 | 11 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 1 | 0 | 0.88 | 0 | 0.88 | 0 | 0.88 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | |||||||||
►dd_make_local_constraints(gmx_domdec_t*, int, gmx_mtop_t const&, gmx::ArrayRef<long const>, gmx::Constraints*, int, gmx::ArrayRef<InteractionList>) [clone ._omp_fn.0] | libgromacs_mpi.so.7.0.0 | 0.01 | 0.01 | 0.01 | 0.02 | 0.01 | 0.01 | 0.01 | 0.16 | 0.11 | 0.09 | 0.06 | 0.03 | 0.03 | 0.02 | 0.16 | 0.11 | 0.06 | 0.04 | 0.02 | 0.01 | 0.01 | 1 | 2 | 4 | 8 | 16 | 24 | 41 | 0.00 | 0.00 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.01 | 0.03 | 0.01 | 0.01 | 0.01 | 0.01 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | GNU C++17 11.1.0 -march=armv8.2-a+sve -msve-vector-bits=256 -mlittle-endian -mabi=lp64 -g -O3 -O3 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fasynchronous-unwind-tables -fstack-protect... | 1 | 0 | 0.73 | 0 | 0.67 | 0 | 0.5 | 0.01 | 0.5 | 0.01 | 0.5 | 0.01 | 0.25 | 0.01 |
►Loop 4719 - stl_uninitialized.h:1010-1011 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
►Loop 4720 - stl_vector.h:346-1798 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
►Loop 4722 - domdec_constraints.cpp:272-280 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 1 | 0 | 2 | 4 | 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 | |||||||||||||||||||||||
○Loop 4721 - hashedmap.h:277-282 - libgromacs_mpi.so.7.0.0 [...] | 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 | 5 | 9 | 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 | |||||||||||||||||||||||
○Loop 4723 - stl_vector.h:919-939 - libgromacs_mpi.so.7.0.0 [...] | 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 | |||||||||||||||||||||||
►Loop 4724 - stl_vector.h:919-1798 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0.02 | 0.01 | 0.01 | 0 | 0 | 0.01 | 0.01 | 0.02 | 0.01 | 0 | 0 | 0 | 0 | 1 | 2 | 3 | 5 | 7 | 6 | 10 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 4718 - domdec_constraints.cpp:254-264 - libgromacs_mpi.so.7.0.0 [...] | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0 | 0 | 0.12 | 0.06 | 0.05 | 0.04 | 0.02 | 0.01 | 0.01 | 0.12 | 0.06 | 0.03 | 0.03 | 0.01 | 0 | 0 | 1 | 2 | 4 | 8 | 15 | 9 | 13 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.01 | 0.00 | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 1 | 0 | 1 | 0 | 1 | 0 | 0.5 | 0.01 | 0.75 | 0 | 1 | 0 | 1 | 0 | |||||||||
►Loop 4717 - domdec_constraints.cpp:230-480 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.03 | 0.02 | 0.04 | 0.02 | 0.01 | 0.01 | 0 | 0.03 | 0.02 | 0.02 | 0.01 | 0 | 0 | 0 | 1 | 2 | 4 | 4 | 9 | 11 | 18 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 0.00 | 1 | 0 | 0.75 | 0 | 0.38 | 0 | 0.38 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | |||||||||
○Loop 4716 - domdec_constraints.cpp:230-480 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 4725 - mtop_lookup.h:93-106 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 2 | 1 | 2 | 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 | |||||||||||||||||||||||
○Loop 4726 - hashedmap.h:277-282 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 13 | 10 | 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 | |||||||||||||||||||||||
►void get_cell_range<0>(float, float, Nbnxm::Grid::Dimensions const&, float, float, int*, int*) | libgromacs_mpi.so.7.0.0 | 0.01 | 0.01 | 0.01 | 0.01 | 0.02 | 0.01 | 0.01 | 0.22 | 0.1 | 0.06 | 0.03 | 0.04 | 0.03 | 0.03 | 0.22 | 0.09 | 0.05 | 0.02 | 0.03 | 0.01 | 0.01 | 1 | 2 | 4 | 8 | 16 | 24 | 37 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.02 | 0.00 | 0.01 | 0.02 | 0.01 | 0.01 | 0.01 | 0.01 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | GNU C++17 11.1.0 -march=armv8.2-a+sve -msve-vector-bits=256 -mlittle-endian -mabi=lp64 -g -O3 -O3 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fasynchronous-unwind-tables -fstack-protect... | 1 | 0 | 1.22 | 0 | 1.1 | 0 | 1.38 | 0 | 0.46 | 0.01 | 0.69 | 0 | 0.34 | 0.01 |
►Loop 3772 - pairlist.cpp:273-287 - libgromacs_mpi.so.7.0.0 | 0.01 | 0.01 | 0.01 | 0 | 0.01 | 0.01 | 0.01 | 0.09 | 0.05 | 0.05 | 0.02 | 0.02 | 0.03 | 0.02 | 0.09 | 0.05 | 0.03 | 0.01 | 0.01 | 0.01 | 0 | 1 | 2 | 4 | 8 | 15 | 17 | 26 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 1 | 0 | 0.9 | 0 | 0.75 | 0 | 1.13 | 0 | 0.56 | 0 | 0.28 | 0.01 | 1 | 0 | |||||||||
○Loop 3773 - pairlist.cpp:281-285 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0.01 | 0 | 0.01 | 0.06 | 0.04 | 0 | 0.01 | 0.01 | 0.01 | 0.01 | 0.06 | 0.03 | 0.01 | 0.01 | 0.01 | 0 | 0 | 1 | 2 | 4 | 4 | 14 | 17 | 20 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.01 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 1 | 0 | 1 | 0 | 1.5 | 0 | 0.75 | 0 | 0.38 | 0.01 | 1 | 0 | 1 | 0 | |||||||||
○__acosf_finite | libm-2.31.so | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.23 | 0.1 | 0.06 | 0.04 | 0.03 | 0.04 | 0.02 | 0.23 | 0.08 | 0.04 | 0.03 | 0.01 | 0.01 | 0 | 1 | 2 | 4 | 8 | 15 | 19 | 18 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.03 | 0.02 | 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 | 1 | 0 | 1.44 | 0 | 1.44 | 0 | 0.96 | 0 | 1.44 | 0 | 0.72 | 0 | 1 | 0 | |
►setup_bonded_threading(bonded_threading_t*, int, bool, InteractionDefinitions const&) [clone ._omp_fn.0] | libgromacs_mpi.so.7.0.0 | 0.01 | 0 | 0.01 | 0.01 | 0 | 0 | 0.01 | 0.17 | 0.06 | 0.05 | 0.03 | 0.02 | 0.01 | 0.01 | 0.17 | 0.05 | 0.03 | 0.02 | 0.01 | 0 | 0 | 1 | 2 | 4 | 8 | 11 | 12 | 20 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.01 | 0.02 | 0.01 | 0.01 | 0.00 | 0.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | GNU C++17 11.1.0 -march=armv8.2-a+sve -msve-vector-bits=256 -mlittle-endian -mabi=lp64 -g -O3 -O3 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fasynchronous-unwind-tables -fstack-protect... | 1 | 0 | 1.7 | 0 | 1.42 | 0 | 1.06 | 0 | 1.06 | 0 | 1 | 0 | 1 | 0 |
►Loop 20213 - manage_threading.cpp:336-401 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
►Loop 20214 - manage_threading.cpp:336-401 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 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 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
►Loop 20215 - manage_threading.cpp:351-365 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
►Loop 20217 - manage_threading.cpp:363-365 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.08 | 0.04 | 0.03 | 0.02 | 0.02 | 0.01 | 0.01 | 0.08 | 0.03 | 0.01 | 0.01 | 0 | 0 | 0 | 1 | 2 | 3 | 8 | 6 | 8 | 14 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 1 | 0 | 1.33 | 0 | 2 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | |||||||||
○Loop 20216 - manage_threading.cpp:365-365 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.09 | 0.02 | 0.02 | 0.02 | 0.01 | 0.01 | 0.01 | 0.09 | 0.02 | 0.01 | 0.01 | 0 | 0 | 0 | 1 | 2 | 3 | 6 | 7 | 7 | 13 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 0.00 | 1 | 0 | 2.25 | 0 | 2.25 | 0 | 1.13 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | |||||||||
►energyDriftAtomPair(bool, bool, float, float, float, float, pot_derivatives_t const*) | libgromacs_mpi.so.7.0.0 | 0.01 | 0.01 | 0.02 | 0.05 | 0.08 | 0.11 | 0.21 | 0.1 | 0.13 | 0.12 | 0.13 | 0.14 | 0.14 | 0.17 | 0.1 | 0.12 | 0.11 | 0.12 | 0.11 | 0.09 | 0.1 | 1 | 2 | 4 | 8 | 16 | 32 | 64 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.04 | 0.07 | 0.00 | 0.02 | 0.01 | 0.01 | 0.02 | 0.04 | 0.04 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | GNU C++17 11.1.0 -march=armv8.2-a+sve -msve-vector-bits=256 -mlittle-endian -mabi=lp64 -g -O3 -O3 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fasynchronous-unwind-tables -fstack-protect... | 1 | 0 | 0.42 | 0.01 | 0.23 | 0.02 | 0.1 | 0.04 | 0.06 | 0.08 | 0.03 | 0.11 | 0.02 | 0.21 |
○Loop 17205 - cmath:464-1325 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0.01 | 0.01 | 0.02 | 0.04 | 0.02 | 0.02 | 0.02 | 0.05 | 0.04 | 0.04 | 0.05 | 0.02 | 0.02 | 0.01 | 0.02 | 0.02 | 0.02 | 0.02 | 1 | 2 | 3 | 8 | 16 | 30 | 61 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.02 | 0.00 | 0.01 | 0.00 | 0.01 | 0.01 | 0.01 | 0.01 | 1 | 0 | 0.5 | 0 | 0.5 | 0 | 0.13 | 0.01 | 0.06 | 0.01 | 0.03 | 0.02 | 0.02 | 0.04 | |||||||||
○opal_shmem_unlink | libopen-pal.so.40.20.3 | 0 | 0.05 | 0.08 | 0.09 | 0.13 | 0.49 | 0.47 | 0 | 0.77 | 0.61 | 0.4 | 0.24 | 1.24 | 0.5 | 0 | 0.47 | 0.38 | 0.23 | 0.18 | 0.41 | 0.22 | 0 | 2 | 4 | 8 | 16 | 32 | 64 | 0.00 | 0.05 | 0.04 | 0.05 | 0.03 | 0.56 | 0.30 | 0.00 | 0.43 | 0.20 | 0.12 | 0.04 | 0.45 | 0.13 | NA | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | |||||||
►void make_exclusions_zone<false>(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_mpi.so.7.0.0 | 0 | 0.02 | 0.03 | 0.02 | 0.03 | 0.05 | 0.04 | 0 | 0.26 | 0.14 | 0.08 | 0.07 | 0.08 | 0.06 | 0 | 0.22 | 0.13 | 0.06 | 0.04 | 0.04 | 0.02 | 0 | 2 | 4 | 8 | 16 | 24 | 46 | 0.00 | 0.01 | 0.00 | 0.01 | 0.01 | 0.02 | 0.02 | 0.00 | 0.06 | 0.02 | 0.02 | 0.02 | 0.02 | 0.01 | NA | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | GNU C++17 11.1.0 -march=armv8.2-a+sve -msve-vector-bits=256 -mlittle-endian -mabi=lp64 -g -O3 -O3 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fasynchronous-unwind-tables -fstack-protect... | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
►Loop 4963 - stl_uninitialized.h:1010-1011 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
►Loop 4964 - stl_vector.h:346-1798 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
►Loop 4965 - localtopology.cpp:737-777 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0 | 0.04 | 0.06 | 0.03 | 0.01 | 0.03 | 0.02 | 0 | 0.04 | 0.04 | 0.01 | 0.01 | 0.01 | 0 | 0 | 2 | 4 | 8 | 15 | 21 | 31 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 0.02 | 0.01 | 0.00 | 0.01 | 0.00 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | |||||||||
►Loop 4972 - stl_vector.h:919-1198 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0.01 | 0.01 | 0.01 | 0.01 | 0.02 | 0.01 | 0 | 0.1 | 0.07 | 0.05 | 0.03 | 0.04 | 0.03 | 0 | 0.07 | 0.04 | 0.02 | 0.02 | 0.01 | 0.01 | 0 | 2 | 4 | 8 | 15 | 23 | 39 | 0.00 | 0.00 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.05 | 0.03 | 0.02 | 0.01 | 0.01 | 0.01 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | |||||||||
○Loop 4962 - hashedmap.h:277-282 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0.02 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0.03 | 0.03 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 0 | 23 | 38 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.02 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | |||||||||||||||||||||||
○Loop 4968 - stl_algobase.h:383-385 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 4967 - stl_algobase.h:383-385 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 4966 - stl_algobase.h:383-385 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 4969 - stl_algobase.h:383-385 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.05 | 0.04 | 0.01 | 0.01 | 0.01 | 0.01 | 0 | 0.05 | 0.02 | 0 | 0 | 0 | 0 | 0 | 2 | 3 | 4 | 9 | 11 | 7 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.02 | 0.00 | 0.00 | 0.00 | 0.00 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | |||||||||
►Loop 4971 - stl_vector.h:919-1198 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 4970 - hashedmap.h:277-282 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
►pme_calc_pidx_wrapper(gmx::ArrayRef<gmx::BasicVector<float> const>, float const (*) [3], PmeAtomComm*) [clone ._omp_fn.0] | libgromacs_mpi.so.7.0.0 | 0 | 0.16 | 0.16 | 0.15 | 0.15 | 0.12 | 0.1 | 0 | 1.61 | 0.83 | 0.46 | 0.28 | 0.5 | 0.23 | 0 | 1.52 | 0.8 | 0.4 | 0.21 | 0.1 | 0.05 | 0 | 2 | 4 | 8 | 16 | 8 | 16 | 0.00 | 0.01 | 0.00 | 0.02 | 0.02 | 0.09 | 0.07 | 0.00 | 0.14 | 0.02 | 0.05 | 0.03 | 0.07 | 0.03 | NA | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | GNU C++17 11.1.0 -march=armv8.2-a+sve -msve-vector-bits=256 -mlittle-endian -mabi=lp64 -g -O3 -O3 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fasynchronous-unwind-tables -fstack-protect... | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
►Loop 20639 - pme_redistribute.cpp:81-134 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
►Loop 20637 - pme_redistribute.cpp:81-134 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0.02 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 1 | 11 | 3 | 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 | |||||||||||||||||||||||
○Loop 20638 - pme_redistribute.cpp:96-103 - libgromacs_mpi.so.7.0.0 | 0 | 0.16 | 0.16 | 0.15 | 0.14 | 0.12 | 0.1 | 0 | 1.61 | 0.83 | 0.46 | 0.28 | 0.49 | 0.23 | 0 | 1.51 | 0.8 | 0.4 | 0.2 | 0.1 | 0.05 | 0 | 2 | 4 | 8 | 16 | 8 | 16 | 0.00 | 0.01 | 0.00 | 0.02 | 0.03 | 0.09 | 0.07 | 0.00 | 0.14 | 0.02 | 0.05 | 0.03 | 0.07 | 0.03 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | |||||||||
○Loop 20640 - pme_redistribute.cpp:111-118 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○ompi_coll_libnbc_progress | mca_coll_libnbc.so | 0 | 0.02 | 0.05 | 0.04 | 0.05 | 0.24 | 0.21 | 0 | 0.37 | 0.33 | 0.15 | 0.15 | 1.42 | 0.22 | 0 | 0.22 | 0.24 | 0.1 | 0.07 | 0.2 | 0.1 | 0 | 2 | 4 | 8 | 16 | 32 | 64 | 0.00 | 0.02 | 0.02 | 0.02 | 0.02 | 0.35 | 0.13 | 0.00 | 0.22 | 0.11 | 0.04 | 0.03 | 0.28 | 0.06 | NA | MPI (%): 100.00 | MPI (%): 100.00 | MPI (%): 100.00 | MPI (%): 100.00 | MPI (%): 100.00 | MPI (%): 100.00 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | |
○mca_btl_vader_send | mca_btl_vader.so | 0 | 0.01 | 0.01 | 0.04 | 0.14 | 0.07 | 0.16 | 0 | 0.05 | 0.07 | 0.13 | 0.24 | 0.11 | 0.17 | 0 | 0.05 | 0.06 | 0.09 | 0.19 | 0.06 | 0.08 | 0 | 2 | 4 | 8 | 16 | 32 | 64 | 0.00 | 0.00 | 0.00 | 0.01 | 0.02 | 0.03 | 0.09 | 0.00 | 0.01 | 0.01 | 0.02 | 0.03 | 0.02 | 0.04 | NA | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | |||||||
►int assignInteractionsForAtom<false>(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>, In... | libgromacs_mpi.so.7.0.0 | 0 | 0.06 | 0.07 | 0.08 | 0.08 | 0.08 | 0.1 | 0 | 0.67 | 0.45 | 0.29 | 0.22 | 0.17 | 0.15 | 0 | 0.56 | 0.33 | 0.21 | 0.12 | 0.07 | 0.05 | 0 | 2 | 4 | 8 | 16 | 24 | 48 | 0.00 | 0.02 | 0.03 | 0.03 | 0.05 | 0.06 | 0.08 | 0.00 | 0.15 | 0.14 | 0.07 | 0.07 | 0.05 | 0.04 | NA | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | GNU C++17 11.1.0 -march=armv8.2-a+sve -msve-vector-bits=256 -mlittle-endian -mabi=lp64 -g -O3 -O3 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fasynchronous-unwind-tables -fstack-protect... | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
►Loop 4937 - localtopology.cpp:322-580 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0.01 | 0.01 | 0 | 0.01 | 0 | 0.03 | 0.02 | 0.02 | 0.03 | 0.02 | 0.01 | 0 | 0.03 | 0.01 | 0.02 | 0.01 | 0 | 0 | 0 | 2 | 4 | 8 | 12 | 15 | 25 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | |||||||||
○Loop 4940 - localtopology.cpp:416-416 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0.02 | 0 | 0.01 | 0.01 | 0 | 0 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 0 | 1 | 3 | 1 | 7 | 5 | 10 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 4939 - localtopology.cpp:505-536 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0.02 | 0.02 | 0.03 | 0.03 | 0.02 | 0.03 | 0 | 0.25 | 0.16 | 0.14 | 0.09 | 0.07 | 0.06 | 0 | 0.18 | 0.11 | 0.08 | 0.04 | 0.02 | 0.01 | 0 | 2 | 4 | 8 | 16 | 20 | 39 | 0.00 | 0.01 | 0.01 | 0.02 | 0.02 | 0.02 | 0.03 | 0.00 | 0.11 | 0.05 | 0.05 | 0.03 | 0.02 | 0.01 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | |||||||||
○Loop 4938 - localtopology.cpp:322-576 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0.03 | 0.03 | 0.03 | 0.04 | 0.03 | 0.03 | 0 | 0.31 | 0.23 | 0.12 | 0.1 | 0.07 | 0.05 | 0 | 0.28 | 0.15 | 0.08 | 0.05 | 0.02 | 0.01 | 0 | 2 | 4 | 8 | 15 | 21 | 36 | 0.00 | 0.01 | 0.02 | 0.01 | 0.02 | 0.02 | 0.03 | 0.00 | 0.05 | 0.08 | 0.03 | 0.03 | 0.02 | 0.01 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | |||||||||
○Loop 4942 - hashedmap.h:277-282 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0.02 | 0.03 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 17 | 30 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | |||||||||||||||||||||||
○Loop 4941 - hashedmap.h:277-282 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.02 | 0.02 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 15 | 19 | 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 | |||||||||||||||||||||||
○ompi_sync_wait_mt | libopen-pal.so.40.20.3 | 0 | 0.01 | 0.01 | 0.01 | 0.02 | 0.07 | 0.07 | 0 | 0.18 | 0.1 | 0.09 | 0.05 | 0.21 | 0.1 | 0 | 0.12 | 0.06 | 0.04 | 0.03 | 0.06 | 0.03 | 0 | 2 | 4 | 8 | 16 | 31 | 61 | 0.00 | 0.01 | 0.01 | 0.01 | 0.01 | 0.08 | 0.06 | 0.00 | 0.10 | 0.04 | 0.03 | 0.01 | 0.07 | 0.02 | NA | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | |||||||
►int make_bondeds_zone<false>(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*, b... | libgromacs_mpi.so.7.0.0 | 0 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0 | 0.06 | 0.04 | 0.05 | 0.03 | 0.02 | 0.02 | 0 | 0.05 | 0.04 | 0.02 | 0.01 | 0.01 | 0 | 0 | 2 | 4 | 8 | 15 | 18 | 33 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.02 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | NA | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | GNU C++17 11.1.0 -march=armv8.2-a+sve -msve-vector-bits=256 -mlittle-endian -mabi=lp64 -g -O3 -O3 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fasynchronous-unwind-tables -fstack-protect... | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
►Loop 4960 - stl_algo.h:568-577 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 3 | 4 | 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 | |||||||||||||||||||||||
○Loop 4961 - stl_algo.h:568-577 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.03 | 0.02 | 0.02 | 0.01 | 0.01 | 0.01 | 0 | 0.03 | 0.02 | 0.01 | 0 | 0 | 0 | 0 | 2 | 4 | 6 | 10 | 14 | 11 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
►Loop 4957 - localtopology.cpp:108-698 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0.01 | 0 | 0.01 | 0 | 0.03 | 0.03 | 0.02 | 0.02 | 0.01 | 0.01 | 0 | 0.02 | 0.02 | 0.01 | 0.01 | 0 | 0 | 0 | 2 | 3 | 8 | 13 | 12 | 27 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 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 | |||||||||
○Loop 4959 - localtopology.cpp:191-625 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 4958 - localtopology.cpp:657-716 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 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_sum_qgrid_dd(gmx_pme_t*, float*, int) | libgromacs_mpi.so.7.0.0 | 0 | 0.01 | 0.02 | 0.03 | 0.06 | 0.02 | 0.04 | 0 | 0.09 | 0.09 | 0.1 | 0.16 | 0.09 | 0.11 | 0 | 0.09 | 0.08 | 0.07 | 0.08 | 0.02 | 0.02 | 0 | 2 | 4 | 8 | 16 | 8 | 16 | 0.00 | 0.00 | 0.01 | 0.01 | 0.02 | 0.02 | 0.04 | 0.00 | 0.01 | 0.03 | 0.02 | 0.03 | 0.02 | 0.02 | NA | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | GNU C++17 11.1.0 -march=armv8.2-a+sve -msve-vector-bits=256 -mlittle-endian -mabi=lp64 -g -O3 -O3 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fasynchronous-unwind-tables -fstack-protect... | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
►Loop 20510 - pme_grid.cpp:80-171 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
►Loop 20508 - pme_grid.cpp:80-166 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
►Loop 20512 - pme_grid.cpp:80-166 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
►Loop 20514 - pme_grid.cpp:117-166 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
►Loop 20513 - pme_grid.cpp:120-166 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 20515 - pme_grid.cpp:123-127 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 20516 - pme_grid.cpp:123-127 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 20511 - pme_grid.cpp:166-171 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 20509 - pme_grid.cpp:166-171 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 20517 - pme_grid.cpp:166-171 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 20506 - pme_grid.cpp:254-256 - libgromacs_mpi.so.7.0.0 | 0 | 0.01 | 0.01 | 0.02 | 0.05 | 0.02 | 0.03 | 0 | 0.09 | 0.08 | 0.07 | 0.15 | 0.08 | 0.09 | 0 | 0.08 | 0.07 | 0.06 | 0.07 | 0.01 | 0.02 | 0 | 2 | 4 | 8 | 16 | 8 | 16 | 0.00 | 0.00 | 0.00 | 0.00 | 0.02 | 0.02 | 0.04 | 0.00 | 0.01 | 0.02 | 0.01 | 0.03 | 0.01 | 0.02 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | |||||||||
○Loop 20507 - pme_grid.cpp:166-171 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
►Loop 20505 - stl_vector.h:919-1169 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.02 | 0.01 | 0.01 | 0 | 0 | 0.01 | 0 | 0.01 | 0 | 0 | 0 | 0 | 2 | 1 | 7 | 10 | 4 | 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 | |||||||||||||||||||||||
○Loop 20504 - pme_grid.cpp:254-256 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○mca_btl_vader_poll_handle_frag | mca_btl_vader.so | 0 | 0.53 | 1.41 | 2.36 | 6.09 | 16.53 | 20.52 | 0 | 8.43 | 11.08 | 10.3 | 10.99 | 41.59 | 24.82 | 0 | 5.05 | 6.97 | 6.17 | 8.52 | 13.81 | 9.72 | 0 | 2 | 4 | 8 | 16 | 32 | 64 | 0.00 | 0.50 | 0.67 | 0.93 | 1.05 | 19.62 | 18.95 | 0.00 | 4.78 | 3.32 | 2.43 | 1.47 | 15.99 | 8.50 | NA | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | |||||||
►do_redist_pos_coeffs(gmx_pme_t*, t_commrec const*, bool, gmx::ArrayRef<gmx::BasicVector<float> const>, gmx::ArrayRef<float const>) | libgromacs_mpi.so.7.0.0 | 0 | 0.14 | 0.14 | 0.16 | 0.2 | 0.13 | 0.14 | 0 | 1.37 | 0.83 | 0.5 | 0.33 | 0.5 | 0.33 | 0 | 1.32 | 0.72 | 0.41 | 0.28 | 0.11 | 0.07 | 0 | 2 | 4 | 8 | 16 | 8 | 16 | 0.00 | 0.01 | 0.02 | 0.03 | 0.03 | 0.07 | 0.09 | 0.00 | 0.08 | 0.09 | 0.07 | 0.04 | 0.05 | 0.04 | NA | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | GNU C++17 11.1.0 -march=armv8.2-a+sve -msve-vector-bits=256 -mlittle-endian -mabi=lp64 -g -O3 -O3 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fasynchronous-unwind-tables -fstack-protect... | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
►Loop 20658 - pme_redistribute.cpp:126-501 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
►Loop 20657 - pme_redistribute.cpp:126-501 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 20665 - pme_redistribute.cpp:367-393 - libgromacs_mpi.so.7.0.0 [...] | 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 | 4 | 4 | 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 | |||||||||||||||||||||||
►Loop 20656 - pme_redistribute.cpp:126-501 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.02 | 0 | 0.01 | 0 | 0.01 | 0 | 0 | 0 | 0 | 1 | 1 | 7 | 9 | 4 | 6 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
►Loop 20663 - pme_redistribute.cpp:145-149 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 20664 - pme_redistribute.cpp:147-149 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 20661 - pme_redistribute.cpp:267-333 - libgromacs_mpi.so.7.0.0 [...] | 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 | 2 | 4 | 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 | |||||||||||||||||||||||
►Loop 20659 - pme_redistribute.cpp:340-362 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0.05 | 0.05 | 0.05 | 0.02 | 0.04 | 0.02 | 0 | 0.52 | 0.27 | 0.19 | 0.04 | 0.17 | 0.07 | 0 | 0.48 | 0.25 | 0.12 | 0.02 | 0.04 | 0.01 | 0 | 2 | 4 | 8 | 16 | 8 | 16 | 0.00 | 0.01 | 0.00 | 0.01 | 0.01 | 0.02 | 0.04 | 0.00 | 0.06 | 0.02 | 0.03 | 0.01 | 0.02 | 0.02 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | |||||||||
○Loop 20660 - pme_redistribute.cpp:340-362 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0.09 | 0.09 | 0.11 | 0.18 | 0.08 | 0.12 | 0 | 0.85 | 0.55 | 0.35 | 0.3 | 0.38 | 0.28 | 0 | 0.83 | 0.46 | 0.28 | 0.25 | 0.07 | 0.06 | 0 | 2 | 4 | 8 | 16 | 8 | 16 | 0.00 | 0.00 | 0.02 | 0.03 | 0.03 | 0.08 | 0.08 | 0.00 | 0.04 | 0.08 | 0.07 | 0.04 | 0.06 | 0.03 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | |||||||||
○Loop 20662 - pme_redistribute.cpp:294-298 - libgromacs_mpi.so.7.0.0 [...] | 0 | 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 | |||||||||||||||||||||||
○opal_mem_hooks_unregister_release | libopen-pal.so.40.20.3 | 0 | 0.08 | 0.14 | 0.15 | 0.21 | 0.81 | 0.79 | 0 | 1.34 | 1.09 | 0.68 | 0.44 | 2.02 | 0.85 | 0 | 0.79 | 0.7 | 0.39 | 0.29 | 0.68 | 0.37 | 0 | 2 | 4 | 8 | 16 | 32 | 64 | 0.00 | 0.08 | 0.07 | 0.07 | 0.05 | 0.91 | 0.54 | 0.00 | 0.77 | 0.35 | 0.17 | 0.07 | 0.74 | 0.24 | NA | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | |||||||
►dd_move_f(gmx_domdec_t*, gmx::ForceWithShiftForces*, gmx_wallcycle*) | libgromacs_mpi.so.7.0.0 | 0 | 0.03 | 0.05 | 0.11 | 0.16 | 0.14 | 0.17 | 0 | 0.32 | 0.29 | 0.33 | 0.32 | 0.22 | 0.14 | 0 | 0.3 | 0.25 | 0.28 | 0.22 | 0.12 | 0.08 | 0 | 2 | 4 | 8 | 16 | 24 | 48 | 0.00 | 0.00 | 0.01 | 0.01 | 0.03 | 0.04 | 0.04 | 0.00 | 0.03 | 0.03 | 0.04 | 0.04 | 0.03 | 0.02 | NA | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | GNU C++17 11.1.0 -march=armv8.2-a+sve -msve-vector-bits=256 -mlittle-endian -mabi=lp64 -g -O3 -O3 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fasynchronous-unwind-tables -fstack-protect... | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
○Loop 4659 - domdec_internal.h:372-373 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 4666 - domdec.cpp:455-466 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
►Loop 4660 - domdec.cpp:379-476 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0 | 0.01 | 0 | 0.01 | 0.01 | 0 | 0.01 | 0 | 0.01 | 0 | 0.01 | 0.01 | 0 | 0 | 0 | 1 | 1 | 6 | 11 | 7 | 27 | 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 | |||||||||||||||||||||||
►Loop 4661 - domdec_internal.h:352-373 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 4 | 4 | 7 | 13 | 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 | |||||||||||||||||||||||
○Loop 4662 - domdec.cpp:439-448 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0.01 | 0.01 | 0 | 0 | 0.06 | 0.04 | 0.05 | 0.06 | 0.03 | 0.02 | 0 | 0.03 | 0.01 | 0.01 | 0.01 | 0.01 | 0 | 0 | 1 | 1 | 1 | 6 | 10 | 12 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.02 | 0.01 | 0.01 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | |||||||||
►Loop 4663 - domdec.cpp:414-418 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 4664 - domdec.cpp:416-418 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 4665 - domdec.cpp:428-432 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0.03 | 0.05 | 0.1 | 0.14 | 0.13 | 0.15 | 0 | 0.28 | 0.27 | 0.31 | 0.26 | 0.2 | 0.14 | 0 | 0.26 | 0.24 | 0.26 | 0.2 | 0.11 | 0.07 | 0 | 2 | 4 | 8 | 16 | 24 | 48 | 0.00 | 0.00 | 0.01 | 0.01 | 0.03 | 0.03 | 0.05 | 0.00 | 0.03 | 0.02 | 0.04 | 0.03 | 0.02 | 0.02 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | |||||||||
○opal_progress | libopen-pal.so.40.20.3 | 0 | 0.17 | 0.27 | 0.26 | 0.39 | 1.44 | 1.4 | 0 | 2.79 | 2.37 | 1.13 | 0.78 | 3.64 | 1.51 | 0 | 1.64 | 1.34 | 0.67 | 0.54 | 1.2 | 0.66 | 0 | 2 | 4 | 8 | 16 | 32 | 64 | 0.00 | 0.17 | 0.16 | 0.12 | 0.09 | 1.61 | 0.90 | 0.00 | 1.63 | 0.79 | 0.31 | 0.13 | 1.31 | 0.40 | NA | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | |||||||
○mca_pml_ob1_recv_req_start | mca_pml_ob1.so | 0 | 0.01 | 0.01 | 0.02 | 0.06 | 0.04 | 0.07 | 0 | 0.07 | 0.09 | 0.08 | 0.12 | 0.06 | 0.1 | 0 | 0.06 | 0.05 | 0.06 | 0.09 | 0.03 | 0.03 | 0 | 2 | 4 | 8 | 16 | 32 | 64 | 0.00 | 0.00 | 0.01 | 0.01 | 0.01 | 0.02 | 0.06 | 0.00 | 0.02 | 0.03 | 0.01 | 0.02 | 0.02 | 0.03 | NA | MPI (%): 100.00 | MPI (%): 100.00 | MPI (%): 100.00 | MPI (%): 100.00 | MPI (%): 100.00 | MPI (%): 100.00 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | |
►dd_move_x(gmx_domdec_t*, float const (*) [3], gmx::ArrayRef<gmx::BasicVector<float> >, gmx_wallcycle*) | libgromacs_mpi.so.7.0.0 | 0 | 0.01 | 0.03 | 0.05 | 0.07 | 0.08 | 0.1 | 0 | 0.15 | 0.23 | 0.16 | 0.13 | 0.13 | 0.1 | 0 | 0.14 | 0.17 | 0.14 | 0.1 | 0.07 | 0.05 | 0 | 2 | 4 | 8 | 16 | 24 | 48 | 0.00 | 0.00 | 0.01 | 0.01 | 0.02 | 0.03 | 0.04 | 0.00 | 0.01 | 0.05 | 0.02 | 0.03 | 0.02 | 0.02 | NA | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | GNU C++17 11.1.0 -march=armv8.2-a+sve -msve-vector-bits=256 -mlittle-endian -mabi=lp64 -g -O3 -O3 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fasynchronous-unwind-tables -fstack-protect... | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
►Loop 4651 - domdec.cpp:276-367 - libgromacs_mpi.so.7.0.0 [...] | 0 | 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 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 4652 - domdec.cpp:281-367 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
►Loop 4650 - domdec.cpp:285-363 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0.01 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 4 | 7 | 5 | 14 | 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 4653 - domdec.cpp:294-361 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0 | 0 | 0.01 | 0.01 | 0 | 0.01 | 0.01 | 0 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 3 | 3 | 6 | 13 | 23 | 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 | |||||||||||||||||||||||
○Loop 4655 - domdec.cpp:309-314 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0.01 | 0.01 | 0.01 | 0.02 | 0.02 | 0.02 | 0 | 0.15 | 0.21 | 0.14 | 0.1 | 0.13 | 0.08 | 0 | 0.08 | 0.05 | 0.02 | 0.03 | 0.01 | 0.01 | 0 | 1 | 1 | 1 | 7 | 10 | 13 | 0.00 | 0.00 | 0.00 | 0.00 | 0.02 | 0.04 | 0.04 | 0.00 | 0.00 | 0.00 | 0.00 | 0.03 | 0.03 | 0.02 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | |||||||||
○Loop 4654 - domdec.cpp:301-303 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0.01 | 0.02 | 0.04 | 0.05 | 0.06 | 0.08 | 0 | 0.12 | 0.18 | 0.16 | 0.12 | 0.11 | 0.09 | 0 | 0.06 | 0.11 | 0.12 | 0.07 | 0.05 | 0.04 | 0 | 1 | 3 | 7 | 15 | 23 | 47 | 0.00 | 0.00 | 0.01 | 0.01 | 0.02 | 0.03 | 0.04 | 0.00 | 0.00 | 0.03 | 0.02 | 0.03 | 0.02 | 0.02 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | |||||||||
○Loop 4649 - domdec_internal.h:372-373 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 4658 - domdec.cpp:321-330 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
►Loop 4656 - domdec.cpp:353-357 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 4657 - domdec.cpp:355-357 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 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_pmeredist_f(gmx_pme_t*, PmeAtomComm*, gmx::ArrayRef<gmx::BasicVector<float> >, bool) | libgromacs_mpi.so.7.0.0 | 0 | 0.1 | 0.11 | 0.12 | 0.15 | 0.09 | 0.11 | 0 | 0.95 | 0.6 | 0.41 | 0.28 | 0.38 | 0.27 | 0 | 0.93 | 0.54 | 0.32 | 0.21 | 0.07 | 0.05 | 0 | 2 | 4 | 8 | 16 | 8 | 16 | 0.00 | 0.00 | 0.02 | 0.03 | 0.03 | 0.08 | 0.09 | 0.00 | 0.03 | 0.09 | 0.07 | 0.04 | 0.06 | 0.04 | NA | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | GNU C++17 11.1.0 -march=armv8.2-a+sve -msve-vector-bits=256 -mlittle-endian -mabi=lp64 -g -O3 -O3 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fasynchronous-unwind-tables -fstack-protect... | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
○Loop 20645 - pme_redistribute.cpp:450-463 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0.09 | 0.1 | 0 | 0 | 0 | 0 | 0 | 0.37 | 0.26 | 0 | 0 | 0 | 0 | 0 | 0.07 | 0.05 | 0 | 0 | 0 | 0 | 0 | 8 | 16 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.08 | 0.09 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.07 | 0.04 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | |||||||||
○Loop 20646 - pme_redistribute.cpp:261-425 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 4 | 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 | |||||||||||||||||||||||
►Loop 20641 - pme_redistribute.cpp:428-467 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0 | 0.02 | 0.01 | 0 | 0 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 2 | 5 | 5 | 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 | |||||||||||||||||||||||
○Loop 20642 - pme_redistribute.cpp:431-444 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0.05 | 0.06 | 0.06 | 0.08 | 0 | 0 | 0 | 0.46 | 0.32 | 0.22 | 0.16 | 0 | 0 | 0 | 0.46 | 0.3 | 0.17 | 0.12 | 0 | 0 | 0 | 2 | 4 | 8 | 16 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.02 | 0.02 | 0.00 | 0.00 | 0.00 | 0.00 | 0.02 | 0.04 | 0.03 | 0.00 | 0.00 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | |||||||||
○Loop 20643 - stl_vector.h:1046-1046 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0.01 | 0.02 | 0.05 | 0 | 0 | 0 | 0.04 | 0.1 | 0.1 | 0.09 | 0 | 0 | 0 | 0.04 | 0.06 | 0.04 | 0.07 | 0 | 0 | 0 | 2 | 3 | 7 | 16 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 0.00 | 0.01 | 0.02 | 0.03 | 0.01 | 0.00 | 0.00 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | |||||||||
○Loop 20644 - arrayref.h:82-82 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0.04 | 0.03 | 0.04 | 0.01 | 0 | 0 | 0 | 0.42 | 0.19 | 0.12 | 0.03 | 0 | 0 | 0 | 0.41 | 0.17 | 0.09 | 0.01 | 0 | 0 | 0 | 2 | 4 | 8 | 16 | 0 | 0 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.03 | 0.02 | 0.01 | 0.00 | 0.00 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | |||||||||
►gmx_pme_receive_f(gmx::PmePpCommGpu*, t_commrec const*, gmx::ForceWithVirial*, float*, float*, float*, float*, bool, bool, float*) | libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0 | 0.05 | 0.05 | 0 | 0 | 0 | 0 | 0 | 0.1 | 0.07 | 0 | 0 | 0 | 0 | 0 | 0.04 | 0.02 | 0 | 0 | 0 | 0 | 0 | 24 | 48 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.02 | 0.03 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.02 | 0.01 | NA | NA | NA | NA | NA | Others (%): 100.00 | Others (%): 100.00 | GNU C++17 11.1.0 -march=armv8.2-a+sve -msve-vector-bits=256 -mlittle-endian -mabi=lp64 -g -O3 -O3 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fasynchronous-unwind-tables -fstack-protect... | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
○Loop 20635 - pme_pp.cpp:504-589 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 20636 - pme_pp.cpp:573-573 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0.05 | 0.05 | 0 | 0 | 0 | 0 | 0 | 0.09 | 0.06 | 0 | 0 | 0 | 0 | 0 | 0.04 | 0.02 | 0 | 0 | 0 | 0 | 0 | 24 | 48 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.02 | 0.03 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.02 | 0.01 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | |||||||||
►setup_dd_communication(gmx_domdec_t*, float (*) [3], gmx_ddbox_t*, t_forcerec*, t_state*) [clone ._omp_fn.0] | libgromacs_mpi.so.7.0.0 | 0 | 0.01 | 0.01 | 0.02 | 0.02 | 0.02 | 0.03 | 0 | 0.09 | 0.04 | 0.06 | 0.04 | 0.05 | 0.04 | 0 | 0.09 | 0.04 | 0.04 | 0.03 | 0.02 | 0.01 | 0 | 2 | 4 | 8 | 16 | 24 | 47 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.02 | 0.02 | 0.00 | 0.01 | 0.01 | 0.02 | 0.01 | 0.01 | 0.01 | NA | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | GNU C++17 11.1.0 -march=armv8.2-a+sve -msve-vector-bits=256 -mlittle-endian -mabi=lp64 -g -O3 -O3 -std=c++17 -fno-omit-frame-pointer -fcf-protection=none -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -fasynchronous-unwind-tables -fstack-protect... | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
○Loop 5084 - partition.cpp:1681-1687 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
►Loop 5075 - partition.cpp:1430-2046 - libgromacs_mpi.so.7.0.0 [...] | 0 | 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 | 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 | |||||||||||||||||||||||
○Loop 5083 - partition.cpp:1699-1701 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
►Loop 5074 - partition.cpp:1430-2046 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0.01 | 0 | 0.01 | 0.02 | 0.02 | 0.02 | 0 | 0.06 | 0.03 | 0.04 | 0.04 | 0.04 | 0.03 | 0 | 0.06 | 0.02 | 0.02 | 0.02 | 0.02 | 0.01 | 0 | 2 | 4 | 8 | 16 | 24 | 47 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.02 | 0.00 | 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 | |||||||||
►Loop 5079 - ga2la.h:112-126 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.02 | 0.01 | 0.02 | 0 | 0.01 | 0.01 | 0 | 0.01 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 2 | 3 | 5 | 5 | 8 | 9 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 5080 - hashedmap.h:277-282 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 5076 - partition.cpp:1681-1689 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 5081 - stl_uninitialized.h:1031-1031 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 5078 - partition.cpp:1430-2007 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 1 | 3 | 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 | |||||||||||||||||||||||
○Loop 5077 - partition.cpp:1668-1670 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 5082 - partition.cpp:1742-1744 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 5073 - partition.cpp:1595-2046 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 |