Loop id | Source Location | Source Function | Level | 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 | Vectorization Ratio (%) | Vector Length Use (%) | Speedup If No Scalar Integer | Speedup If FP Vectorized | Speedup If Fully Vectorized | Speedup If Perfect Load Balancing 1x1 | Speedup If Perfect Load Balancing 2x1 | Speedup If Perfect Load Balancing 4x1 | Speedup If Perfect Load Balancing 8x1 | Speedup If Perfect Load Balancing 16x1 | Speedup If Perfect Load Balancing 32x1 | Speedup If Perfect Load Balancing 64x1 | Stride 0 | Stride 1 | Stride n | Stride Unknown | Stride Indirect | (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 (%) |
---|
658 | libgromacs_mpi.so.7.0.0 - kernel_outer.h:590-590 [...] | nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*) | Innermost | 46.44 | 45.91 | 44.9 | 44.03 | 42.87 | 36.05 | 34.18 | 1011.09 | 545.81 | 325.87 | 171.36 | 97.58 | 66.51 | 35.04 | 1011.09 | 508.29 | 255.54 | 130.76 | 67.72 | 34.39 | 18.15 | 1 | 2 | 4 | 8 | 16 | 24 | 48 | 100 | 51.7 | 1 | 1.6 | 2 | 1 | 1.07 | 1.28 | 1.31 | 1.44 | 1.46 | 1.46 | NA | NA | NA | NA | NA | 1 | 0 | 0.99 | 0.25 | 0.99 | 0.49 | 0.97 | 1.47 | 0.93 | 2.87 | 0.92 | 2.93 | 0.87 | 4.43 |
662 | libgromacs_mpi.so.7.0.0 - kernel_outer.h:608-608 [...] | nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*) | Single | 18.4 | 18.24 | 18.12 | 17.82 | 15.74 | 13.63 | 11.89 | 400.73 | 234.84 | 142.39 | 79.64 | 44.59 | 33.84 | 23.35 | 400.73 | 201.99 | 103.1 | 52.92 | 24.86 | 13 | 6.31 | 1 | 2 | 4 | 8 | 16 | 24 | 48 | 100 | 51.97 | 1 | 1.64 | 2 | 1 | 1.16 | 1.38 | 1.51 | 1.8 | 1.96 | 2.81 | NA | NA | NA | NA | NA | 1 | 0 | 0.99 | 0.15 | 0.97 | 0.51 | 0.95 | 0.95 | 1.01 | 0 | 0.96 | 0.5 | 0.99 | 0.09 |
664 | libgromacs_mpi.so.7.0.0 - kernel_outer.h:590-590 [...] | nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*) | Innermost | 6.99 | 6.92 | 6.7 | 6.59 | 6.45 | 5.4 | 5.17 | 152.24 | 82.5 | 48.74 | 25.91 | 14.66 | 10.03 | 5.26 | 152.24 | 76.66 | 38.15 | 19.56 | 10.18 | 5.15 | 2.74 | 1 | 2 | 4 | 8 | 16 | 24 | 48 | 99.82 | 51.34 | 1 | 1.62 | 2 | 1 | 1.08 | 1.28 | 1.33 | 1.44 | 1.47 | 1.46 | NA | NA | NA | NA | NA | 1 | 0 | 0.99 | 0.05 | 1 | 0.02 | 0.97 | 0.18 | 0.93 | 0.42 | 0.92 | 0.41 | 0.87 | 0.68 |
670 | libgromacs_mpi.so.7.0.0 - kernel_outer.h:608-608 [...] | nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*) | Single | 2.73 | 2.68 | 2.7 | 2.63 | 2.33 | 2.01 | 1.76 | 59.43 | 34.66 | 21.07 | 11.89 | 6.59 | 5.03 | 3.34 | 59.43 | 29.67 | 15.34 | 7.8 | 3.69 | 1.91 | 0.94 | 1 | 2 | 4 | 8 | 16 | 24 | 48 | 99.83 | 51.03 | 1 | 1.62 | 2 | 1 | 1.17 | 1.37 | 1.53 | 1.79 | 1.98 | 2.72 | NA | NA | NA | NA | NA | 1 | 0 | 1 | 0 | 0.97 | 0.08 | 0.95 | 0.13 | 1.01 | 0 | 0.97 | 0.06 | 0.99 | 0.02 |
16564 | libgromacs_mpi.so.7.0.0 - fft5d.cpp:884-886 | fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*) | Innermost | 1.86 | 1.09 | 0.77 | 0.71 | 0.65 | 0.52 | 0.5 | 40.5 | 12.12 | 4.63 | 2.35 | 1.13 | 2.12 | 1.18 | 40.5 | 12.09 | 4.39 | 2.12 | 1.02 | 0.49 | 0.26 | 1 | 2 | 4 | 8 | 16 | 8 | 16 | 0 | 25 | 1 | 1 | 4 | 1 | 1 | 1.05 | 1.11 | 1.11 | 1.08 | 1.13 | NA | NA | NA | NA | NA | 1 | 0 | 1.67 | 0 | 2.31 | 0 | 2.39 | 0 | 2.48 | 0 | 2.58 | 0 | 2.43 | 0 |
659 | libgromacs_mpi.so.7.0.0 - impl_arm_neon_asimd_simd_float.h:68-492 [...] | nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*) | Innermost | 1.41 | 1.4 | 1.37 | 1.36 | 1.31 | 1.11 | 1.03 | 30.74 | 16.16 | 9.66 | 5.11 | 2.84 | 1.9 | 0.99 | 30.74 | 15.5 | 7.79 | 4.04 | 2.07 | 1.06 | 0.55 | 1 | 2 | 4 | 8 | 16 | 24 | 48 | 97.63 | 52.11 | 1 | 1.54 | 2.02 | 1 | 1.04 | 1.24 | 1.26 | 1.38 | 1.36 | 1.38 | NA | NA | NA | NA | NA | 1 | 0 | 0.99 | 0.01 | 0.99 | 0.02 | 0.95 | 0.07 | 0.93 | 0.09 | 0.91 | 0.1 | 0.87 | 0.13 |
660 | libgromacs_mpi.so.7.0.0 - kernel_outer.h:624-624 [...] | nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*) | Single | 1.3 | 1.25 | 1.22 | 1.18 | 1.23 | 0.93 | 0.94 | 28.28 | 14.65 | 8.99 | 4.86 | 9.09 | 4.86 | 4 | 28.28 | 13.89 | 6.97 | 3.49 | 1.94 | 0.89 | 0.5 | 1 | 2 | 4 | 8 | 8 | 15 | 23 | 100 | 50.75 | 1 | 1.71 | 2 | 1 | 1.05 | 1.29 | 1.39 | 2.34 | 2.59 | 2.92 | NA | NA | NA | NA | NA | 1 | 0 | 1.02 | 0 | 1.01 | 0 | 1.01 | 0 | 0.91 | 0.11 | 0.99 | 0.01 | 0.88 | 0.11 |
663 | libgromacs_mpi.so.7.0.0 - impl_arm_neon_asimd_simd_float.h:68-492 [...] | nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*) | Single | 1.24 | 1.23 | 1.25 | 1.21 | 1.06 | 0.96 | 0.81 | 27.02 | 15.66 | 10.12 | 5.46 | 3.08 | 2.52 | 1.77 | 27.02 | 13.61 | 7.13 | 3.61 | 1.67 | 0.92 | 0.43 | 1 | 2 | 4 | 8 | 16 | 24 | 47 | 98.26 | 52.11 | 1 | 1.56 | 2.02 | 1 | 1.15 | 1.42 | 1.52 | 1.86 | 2.07 | 3.05 | NA | NA | NA | NA | NA | 1 | 0 | 0.99 | 0.01 | 0.95 | 0.07 | 0.94 | 0.08 | 1.01 | 0 | 0.92 | 0.08 | 0.98 | 0.01 |
16483 | libgromacs_mpi.so.7.0.0 - impl_arm_neon_asimd_simd4_float.h:52-224 [...] | .omp_outlined..2 | InBetween | 1.06 | 1.03 | 0.96 | 0.88 | 0.9 | 0.7 | 0.64 | 22.98 | 11.66 | 5.78 | 2.89 | 1.62 | 2.94 | 1.57 | 22.98 | 11.36 | 5.44 | 2.62 | 1.42 | 0.66 | 0.34 | 1 | 2 | 4 | 8 | 16 | 8 | 16 | 89.45 | 51.83 | 1.17 | 1.2 | 1.61 | 1 | 1.03 | 1.06 | 1.1 | 1.14 | 1.11 | 1.17 | NA | NA | NA | NA | NA | 1 | 0 | 1.01 | 0 | 1.06 | 0 | 1.1 | 0 | 1.01 | 0 | 1.09 | 0 | 1.06 | 0 |
1152 | libgromacs_mpi.so.7.0.0 - kernel_prune.cpp:115-167 [...] | nbnxn_kernel_prune_4xn(NbnxnPairlistCpu*, nbnxn_atomdata_t const*, gmx::ArrayRef<gmx::BasicVector<float> const>, float) | Innermost | 1.05 | 1.04 | 1.02 | 1 | 0.97 | 0.81 | 0.75 | 22.9 | 11.69 | 6.01 | 3.09 | 1.65 | 1.14 | 0.64 | 22.9 | 11.51 | 5.81 | 2.96 | 1.53 | 0.77 | 0.4 | 1 | 2 | 4 | 8 | 16 | 24 | 48 | 97.73 | 49.15 | 1.02 | 1.67 | 2 | 1 | 1.02 | 1.03 | 1.05 | 1.09 | 1.12 | 1.23 | NA | NA | NA | NA | NA | 1 | 0 | 0.99 | 0.01 | 0.99 | 0.01 | 0.97 | 0.03 | 0.94 | 0.06 | 0.93 | 0.06 | 0.89 | 0.08 |
16488 | libgromacs_mpi.so.7.0.0 - pme_spread.cpp:277-290 [...] | .omp_outlined..2 | Innermost | 0.93 | 0.9 | 0.91 | 0.87 | 0.88 | 0.66 | 0.63 | 20.3 | 9.97 | 5.66 | 2.83 | 1.63 | 2.84 | 1.52 | 20.3 | 9.95 | 5.16 | 2.58 | 1.39 | 0.63 | 0.34 | 1 | 2 | 4 | 8 | 16 | 8 | 16 | 12 | 17.38 | 3.5 | 1 | 8 | 1 | 1 | 1.1 | 1.1 | 1.17 | 1.13 | 1.14 | NA | NA | NA | NA | NA | 1 | 0 | 1.02 | 0 | 0.98 | 0.01 | 0.98 | 0.01 | 0.91 | 0.08 | 1.01 | 0 | 0.93 | 0.04 |
16222 | libgromacs_mpi.so.7.0.0 - pme_gather.cpp:81-348 [...] | gather_f_bsplines(gmx_pme_t const*, float const*, bool, PmeAtomComm const*, splinedata_t const*, float) | Outermost | 0.78 | 0.76 | 0.74 | 0.72 | 0.67 | 0.55 | 0.47 | 16.96 | 8.64 | 4.51 | 2.37 | 1.14 | 2.29 | 1.19 | 16.96 | 8.43 | 4.24 | 2.12 | 1.06 | 0.53 | 0.25 | 1 | 2 | 4 | 8 | 16 | 8 | 16 | 10.34 | 19.83 | 3.97 | 1 | 6.92 | 1 | 1.02 | 1.07 | 1.12 | 1.08 | 1.1 | 1.21 | NA | NA | NA | NA | NA | 1 | 0 | 1.01 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1.06 | 0 |
15814 | libgromacs_mpi.so.7.0.0 - bonded.cpp:1151-1178 [...] | 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*... | Single | 0.78 | 0.75 | 0.74 | 0.71 | 0.63 | 0.57 | 0.56 | 17.06 | 9.41 | 5.32 | 2.92 | 1.77 | 1.44 | 1.22 | 17.06 | 8.31 | 4.24 | 2.12 | 1 | 0.55 | 0.3 | 1 | 2 | 4 | 8 | 16 | 23 | 45 | 91.09 | 47.32 | 1 | 1.43 | 1.97 | 1 | 1.13 | 1.25 | 1.38 | 1.79 | 1.89 | 2.9 | NA | NA | NA | NA | NA | 1 | 0 | 1.03 | 0 | 1.01 | 0 | 1.01 | 0 | 1.07 | 0 | 0.97 | 0.02 | 0.89 | 0.06 |
657 | libgromacs_mpi.so.7.0.0 - kernel_outer.h:353-639 [...] | nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*) | Outermost | 0.64 | 0.68 | 0.73 | 0.9 | 0.87 | 0.88 | 0.98 | 13.99 | 7.78 | 4.38 | 2.87 | 1.57 | 1.29 | 0.87 | 13.99 | 7.55 | 4.18 | 2.68 | 1.38 | 0.84 | 0.52 | 1 | 2 | 4 | 8 | 16 | 24 | 48 | 66.3 | 42.39 | 1.52 | 1.71 | 1.08 | 1 | 1.03 | 1.05 | 1.07 | 1.14 | 1.15 | 1.28 | NA | NA | NA | NA | NA | 1 | 0 | 0.93 | 0.05 | 0.84 | 0.12 | 0.65 | 0.31 | 0.63 | 0.32 | 0.52 | 0.42 | 0.42 | 0.57 |
14454 | libgromacs_mpi.so.7.0.0 - settle.cpp:423-431 [...] | gmx::csettle(gmx::SettleData const&, int, int, t_pbc const*, gmx::ArrayRefWithPadding<gmx::BasicVector<float> const>, gmx::ArrayRefWithPadding<gmx::BasicVector<float> >, float, gmx::ArrayRefWithPadding<gmx::BasicVector<flo... | Single | 0.59 | 0.57 | 0.55 | 0.53 | 0.48 | 0.42 | 0.38 | 12.79 | 7 | 4 | 2.13 | 1.08 | 0.8 | 0.46 | 12.79 | 6.31 | 3.11 | 1.57 | 0.75 | 0.4 | 0.2 | 1 | 2 | 4 | 8 | 16 | 24 | 48 | 91.87 | 48.37 | 1 | 1.52 | 2.12 | 1 | 1.11 | 1.29 | 1.36 | 1.44 | 1.51 | 1.7 | NA | NA | NA | NA | NA | 1 | 0 | 1.01 | 0 | 1.03 | 0 | 1.02 | 0 | 1.07 | 0 | 1 | 0 | 1 | 0 |
14202 | libgromacs_mpi.so.7.0.0 - lincs.cpp:282-284 | gmx::lincs_matrix_expand(gmx::Lincs const&, gmx::Task const&, gmx::ArrayRef<float const>, gmx::ArrayRef<float>, gmx::ArrayRef<float>, gmx::ArrayRef<float>) | Innermost | 0.58 | 0.62 | 0.68 | 0.71 | 0.46 | 0.37 | 0.37 | 12.56 | 7.55 | 5.33 | 3.38 | 1.46 | 1.11 | 0.75 | 12.56 | 6.83 | 3.87 | 2.11 | 0.73 | 0.36 | 0.2 | 1 | 2 | 4 | 8 | 16 | 23 | 44 | 0 | 16.67 | 1 | 1 | 7 | 1 | 1.11 | 1.38 | 1.6 | 2 | 2.27 | 2.68 | NA | NA | NA | NA | NA | 1 | 0 | 0.92 | 0.05 | 0.81 | 0.13 | 0.74 | 0.18 | 1.08 | 0 | 1.09 | 0 | 0.98 | 0.01 |
15823 | libgromacs_mpi.so.7.0.0 - bonded.cpp:2066-2126 [...] | 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*,... | Single | 0.5 | 0.5 | 0.48 | 0.45 | 0.42 | 0.37 | 0.34 | 10.92 | 6.67 | 3.99 | 2.13 | 1.33 | 0.93 | 0.72 | 10.92 | 5.58 | 2.71 | 1.33 | 0.66 | 0.35 | 0.18 | 1 | 2 | 4 | 8 | 16 | 23 | 43 | 77.61 | 45.83 | 1.3 | 1.65 | 1.12 | 1 | 1.2 | 1.48 | 1.6 | 2.02 | 1.9 | 2.67 | NA | NA | NA | NA | NA | 1 | 0 | 0.98 | 0.01 | 1.01 | 0 | 1.03 | 0 | 1.03 | 0 | 0.98 | 0.01 | 0.95 | 0.02 |
1224 | libgromacs_mpi.so.7.0.0 - pme_spread.cpp:104-145 [...] | .omp_outlined.#0x7bd33c | Innermost | 0.37 | 0.38 | 0.36 | 0.36 | 0.33 | 0.28 | 0.26 | 8.1 | 4.34 | 2.18 | 1.15 | 0.66 | 1.19 | 0.62 | 8.1 | 4.23 | 2.05 | 1.06 | 0.53 | 0.27 | 0.14 | 1 | 2 | 4 | 8 | 16 | 8 | 16 | 16.03 | 16.99 | 2.71 | 1 | 7.49 | 1 | 1.03 | 1.06 | 1.08 | 1.27 | 1.1 | 1.15 | NA | NA | NA | NA | NA | 1 | 0 | 0.96 | 0.02 | 0.99 | 0 | 0.96 | 0.02 | 0.96 | 0.01 | 0.94 | 0.02 | 0.9 | 0.02 |
14201 | libgromacs_mpi.so.7.0.0 - lincs.cpp:276-287 [...] | gmx::lincs_matrix_expand(gmx::Lincs const&, gmx::Task const&, gmx::ArrayRef<float const>, gmx::ArrayRef<float>, gmx::ArrayRef<float>, gmx::ArrayRef<float>) | InBetween | 0.37 | 0.39 | 0.41 | 0.39 | 0.21 | 0.16 | 0.15 | 7.96 | 4.74 | 3.13 | 1.85 | 0.7 | 0.46 | 0.39 | 7.96 | 4.34 | 2.33 | 1.16 | 0.33 | 0.15 | 0.08 | 1 | 2 | 4 | 8 | 16 | 24 | 44 | 0 | 18.13 | 2.25 | 1 | 6.55 | 1 | 1.09 | 1.34 | 1.59 | 2.12 | 2.3 | 3.55 | NA | NA | NA | NA | NA | 1 | 0 | 0.92 | 0.03 | 0.85 | 0.06 | 0.86 | 0.06 | 1.51 | 0 | 1.66 | 0 | 1.55 | 0 |
16568 | libgromacs_mpi.so.7.0.0 - fft5d.cpp:947-949 | fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*) | Innermost | 0.36 | 0.35 | 0.32 | 0.28 | 0.25 | 0.22 | 0.18 | 7.74 | 3.85 | 1.87 | 0.9 | 0.48 | 0.95 | 0.51 | 7.74 | 3.82 | 1.82 | 0.82 | 0.4 | 0.21 | 0.1 | 1 | 2 | 4 | 8 | 16 | 8 | 16 | NA | NA | 1 | NA | NA | 1 | 1.01 | 1.03 | 1.1 | 1.2 | 1.14 | 1.31 | NA | NA | NA | NA | NA | 1 | 0 | 1.01 | 0 | 1.06 | 0 | 1.18 | 0 | 1.21 | 0 | 1.15 | 0 | 1.21 | 0 |
16083 | libgromacs_mpi.so.7.0.0 - pairs.cpp:863-894 [...] | void do_pairs_simple<gmx::SimdFloat, 4, float const*>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float const*, gmx::ArrayRef<float>, float) | Single | 0.34 | 0.34 | 0.33 | 0.32 | 0.3 | 0.26 | 0.25 | 7.51 | 4.53 | 2.65 | 1.41 | 0.88 | 0.59 | 0.54 | 7.51 | 3.8 | 1.87 | 0.95 | 0.48 | 0.25 | 0.13 | 1 | 2 | 4 | 8 | 16 | 24 | 45 | 72.92 | 42.01 | 1.07 | 1.48 | 1.17 | 1 | 1.19 | 1.42 | 1.48 | 1.87 | 1.79 | 2.84 | NA | NA | NA | NA | NA | 1 | 0 | 0.99 | 0 | 1 | 0 | 0.99 | 0 | 0.98 | 0.01 | 0.94 | 0.02 | 0.9 | 0.02 |
16395 | libgromacs_mpi.so.7.0.0 - pme_solve.cpp:234-234 [...] | solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int) | Innermost | 0.32 | 0.33 | 0.32 | 0.29 | 0.3 | 0.23 | 0.21 | 6.88 | 3.76 | 1.88 | 0.93 | 0.54 | 1.01 | 0.56 | 6.88 | 3.7 | 1.8 | 0.86 | 0.48 | 0.22 | 0.11 | 1 | 2 | 4 | 8 | 16 | 8 | 16 | 97.06 | 49.26 | 1 | 1.55 | 2 | 1 | 1.02 | 1.04 | 1.08 | 1.13 | 1.15 | 1.3 | NA | NA | NA | NA | NA | 1 | 0 | 0.93 | 0.02 | 0.96 | 0.01 | 1 | 0 | 0.9 | 0.03 | 0.98 | 0.01 | 0.98 | 0 |
667 | libgromacs_mpi.so.7.0.0 - impl_arm_neon_asimd_simd_float.h:68-492 [...] | nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*) | Innermost | 0.23 | 0.22 | 0.23 | 0.23 | 0.23 | 0.18 | 0.16 | 4.96 | 2.5 | 1.67 | 0.88 | 0.5 | 0.34 | 0.2 | 4.96 | 2.41 | 1.28 | 0.68 | 0.36 | 0.17 | 0.09 | 1 | 2 | 4 | 8 | 16 | 24 | 48 | 97.59 | 50.48 | 1 | 1.5 | 2.03 | 1 | 1.04 | 1.3 | 1.29 | 1.39 | 1.48 | 1.82 | NA | NA | NA | NA | NA | 1 | 0 | 1.03 | 0 | 0.97 | 0.01 | 0.91 | 0.02 | 0.86 | 0.03 | 0.91 | 0.02 | 0.86 | 0.02 |
14203 | libgromacs_mpi.so.7.0.0 - lincs.cpp:368-383 [...] | gmx::lincs_update_atoms(gmx::Lincs*, int, float, gmx::ArrayRef<float const>, gmx::ArrayRef<gmx::BasicVector<float> const>, gmx::ArrayRef<float const>, float (*) [3]) | Single | 0.23 | 0.23 | 0.26 | 0.27 | 0.22 | 0.22 | 0.22 | 4.95 | 2.68 | 1.79 | 1.08 | 0.73 | 0.55 | 0.41 | 4.95 | 2.58 | 1.51 | 0.81 | 0.35 | 0.21 | 0.12 | 1 | 2 | 4 | 8 | 16 | 23 | 47 | 26.32 | 19.74 | 1.08 | 1.02 | 5.89 | 1 | 1.04 | 1.19 | 1.33 | 2.09 | 1.9 | 2.56 | NA | NA | NA | NA | NA | 1 | 0 | 0.96 | 0.01 | 0.82 | 0.05 | 0.76 | 0.06 | 0.88 | 0.03 | 0.74 | 0.06 | 0.64 | 0.08 |
2494 | libgromacs_mpi.so.7.0.0 - pairlist_simd_4xm.h:136-150 [...] | .omp_outlined..8 | Single | 0.22 | 0.22 | 0.23 | 0.22 | 0.19 | 0.17 | 0.16 | 4.85 | 2.5 | 1.34 | 0.77 | 0.37 | 0.26 | 0.16 | 4.85 | 2.43 | 1.3 | 0.66 | 0.3 | 0.16 | 0.08 | 1 | 2 | 4 | 8 | 16 | 24 | 48 | 50 | 37.5 | 1.27 | 1.08 | 1.75 | 1 | 1.03 | 1.03 | 1.17 | 1.23 | 1.24 | 1.45 | NA | NA | NA | NA | NA | 1 | 0 | 1 | 0 | 0.93 | 0.02 | 0.92 | 0.02 | 1.01 | 0 | 0.95 | 0.01 | 0.95 | 0.01 |
671 | libgromacs_mpi.so.7.0.0 - impl_arm_neon_asimd_simd_float.h:68-492 [...] | nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*) | Single | 0.22 | 0.22 | 0.22 | 0.22 | 0.17 | 0.16 | 0.15 | 4.77 | 2.76 | 1.79 | 0.95 | 0.53 | 0.36 | 0.37 | 4.77 | 2.44 | 1.25 | 0.65 | 0.27 | 0.15 | 0.08 | 1 | 2 | 4 | 8 | 16 | 24 | 43 | 97.55 | 50.38 | 1 | 1.51 | 2.04 | 1 | 1.14 | 1.43 | 1.46 | 1.96 | 1.8 | 3.08 | NA | NA | NA | NA | NA | 1 | 0 | 0.98 | 0 | 0.95 | 0.01 | 0.92 | 0.02 | 1.1 | 0 | 0.99 | 0 | 0.93 | 0.01 |
2522 | libgromacs_mpi.so.7.0.0 - lincs.cpp:798-809 [...] | .omp_outlined..36#0x6f4b68 | Single | 0.21 | 0.22 | 0.22 | 0.22 | 0.2 | 0.19 | 0.2 | 4.48 | 2.66 | 1.51 | 0.88 | 0.58 | 0.46 | 0.41 | 4.48 | 2.44 | 1.28 | 0.67 | 0.32 | 0.18 | 0.11 | 1 | 2 | 4 | 8 | 16 | 24 | 45 | 92.06 | 47.62 | 1 | 1.39 | 2.04 | 1 | 1.09 | 1.19 | 1.31 | 1.81 | 1.92 | 2.73 | NA | NA | NA | NA | NA | 1 | 0 | 0.92 | 0.02 | 0.88 | 0.03 | 0.84 | 0.04 | 0.88 | 0.02 | 0.78 | 0.04 | 0.64 | 0.07 |
16251 | libgromacs_mpi.so.7.0.0 - pme_grid.cpp:303-309 [...] | copy_pmegrid_to_fftgrid(gmx_pme_t const*, float const*, float*, int) | Innermost | 0.19 | 0.23 | 0.22 | 0.21 | 0.23 | 0.17 | 0.16 | 4.24 | 2.65 | 1.28 | 0.67 | 0.41 | 0.7 | 0.46 | 4.24 | 2.53 | 1.23 | 0.62 | 0.36 | 0.16 | 0.08 | 1 | 2 | 4 | 8 | 16 | 8 | 16 | 66.67 | 75 | 1.5 | 1 | 1.33 | 1 | 1.05 | 1.04 | 1.08 | 1.17 | 1.09 | 1.39 | NA | NA | NA | NA | NA | 1 | 0 | 0.84 | 0.04 | 0.86 | 0.03 | 0.85 | 0.03 | 0.74 | 0.06 | 0.83 | 0.03 | 0.83 | 0.03 |
2458 | libgromacs_mpi.so.7.0.0 - stl_vector.h:919-1173 [...] | .omp_outlined..8 | InBetween | 0.19 | 0.2 | 0.21 | 0.24 | 0.3 | 0.29 | 0.28 | 4.12 | 2.29 | 1.32 | 0.75 | 0.56 | 0.46 | 0.25 | 4.12 | 2.23 | 1.22 | 0.7 | 0.48 | 0.28 | 0.15 | 1 | 2 | 4 | 8 | 16 | 24 | 48 | 2.78 | 20.66 | 25 | 1 | 1.93 | 1 | 1.03 | 1.08 | 1.07 | 1.17 | 1.24 | 1.32 | NA | NA | NA | NA | NA | 1 | 0 | 0.92 | 0.02 | 0.84 | 0.03 | 0.74 | 0.06 | 0.54 | 0.14 | 0.46 | 0.16 | 0.43 | 0.16 |
16402 | libgromacs_mpi.so.7.0.0 - pme_solve.cpp:499-511 | solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int) | Innermost | 0.16 | 0.16 | 0.17 | 0.16 | 0.15 | 0.12 | 0.11 | 3.58 | 1.85 | 0.99 | 0.53 | 0.3 | 0.52 | 0.28 | 3.57 | 1.77 | 0.95 | 0.46 | 0.23 | 0.11 | 0.06 | 1 | 2 | 4 | 8 | 16 | 8 | 16 | 10 | 16.25 | 3.11 | 3.5 | 7.72 | 1 | 1.05 | 1.04 | 1.15 | 1.3 | 1.16 | 1.27 | NA | NA | NA | NA | NA | 1 | 0 | 1.01 | 0 | 0.94 | 0.01 | 0.97 | 0 | 0.97 | 0 | 1.01 | 0 | 0.93 | 0.01 |
668 | libgromacs_mpi.so.7.0.0 - kernel_outer.h:624-624 [...] | nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*) | Single | 0.16 | 0.17 | 0.16 | 0.15 | 0.16 | 0.12 | 0.13 | 3.57 | 1.92 | 1.18 | 0.69 | 1.19 | 0.64 | 0.52 | 3.57 | 1.84 | 0.9 | 0.45 | 0.25 | 0.11 | 0.07 | 1 | 2 | 4 | 8 | 8 | 11 | 18 | 100 | 50.37 | 1 | 1.7 | 2 | 1 | 1.05 | 1.31 | 1.53 | 2.38 | 1.94 | 2.17 | NA | NA | NA | NA | NA | 1 | 0 | 0.97 | 0.01 | 0.99 | 0 | 0.99 | 0 | 0.89 | 0.02 | 1.01 | 0 | 0.8 | 0.03 |
2521 | libgromacs_mpi.so.7.0.0 - lincs.cpp:1087-1089 [...] | .omp_outlined..36#0x6f4b68 | Innermost | 0.14 | 0.14 | 0.15 | 0.19 | 0.16 | 0.14 | 0.15 | 3 | 1.83 | 1.17 | 0.85 | 0.48 | 0.4 | 0.34 | 3 | 1.61 | 0.88 | 0.58 | 0.26 | 0.13 | 0.08 | 1 | 2 | 4 | 8 | 16 | 23 | 44 | 12.5 | 15.63 | 1.13 | 1 | 7.16 | 1 | 1.14 | 1.33 | 1.47 | 1.85 | 2.11 | 3.09 | NA | NA | NA | NA | NA | 1 | 0 | 0.93 | 0.01 | 0.85 | 0.02 | 0.65 | 0.07 | 0.72 | 0.04 | 0.72 | 0.04 | 0.59 | 0.06 |
2468 | libgromacs_mpi.so.7.0.0 - pairlist.cpp:3407-3409 [...] | .omp_outlined..8 | Innermost | 0.14 | 0.14 | 0.14 | 0.14 | 0.03 | 0.05 | 0.02 | 3.12 | 1.59 | 0.87 | 0.5 | 0.2 | 0.16 | 0.07 | 3.12 | 1.58 | 0.8 | 0.42 | 0.05 | 0.04 | 0.01 | 1 | 2 | 4 | 8 | 10 | 20 | 18 | 0 | 12.5 | 1.17 | 1 | 8 | 1 | 1.01 | 1.1 | 1.19 | 2.22 | 2.29 | 1.4 | NA | NA | NA | NA | NA | 1 | 0 | 0.99 | 0 | 0.97 | 0 | 0.93 | 0.01 | 3.9 | 0 | 2.44 | 0 | 4.88 | 0 |
16254 | libgromacs_mpi.so.7.0.0 - pme_grid.cpp:402-404 | copy_fftgrid_to_pmegrid(gmx_pme_t*, float const*, float*, int, int, int) | Innermost | 0.12 | 0.13 | 0.12 | 0.11 | 0.13 | 0.08 | 0.08 | 2.54 | 1.48 | 0.73 | 0.42 | 0.26 | 0.35 | 0.2 | 2.54 | 1.45 | 0.69 | 0.34 | 0.2 | 0.08 | 0.04 | 1 | 2 | 4 | 8 | 16 | 8 | 16 | 66.67 | 75 | 1.5 | 1 | 1.33 | 1 | 1.02 | 1.06 | 1.24 | 1.3 | 1.17 | 1.18 | NA | NA | NA | NA | NA | 1 | 0 | 0.88 | 0.02 | 0.92 | 0.01 | 0.93 | 0.01 | 0.79 | 0.03 | 0.99 | 0 | 0.99 | 0 |
16397 | libgromacs_mpi.so.7.0.0 - pme_solve.cpp:536-543 | solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int) | Innermost | 0.12 | 0.12 | 0.1 | 0.1 | 0.1 | 0.08 | 0.07 | 2.51 | 1.33 | 0.63 | 0.34 | 0.21 | 0.37 | 0.18 | 2.51 | 1.3 | 0.58 | 0.3 | 0.15 | 0.08 | 0.04 | 1 | 2 | 4 | 8 | 16 | 8 | 16 | 95.45 | 48.86 | 1 | 1.6 | 2 | 1 | 1.03 | 1.09 | 1.13 | 1.4 | 1.19 | 1.29 | NA | NA | NA | NA | NA | 1 | 0 | 0.97 | 0 | 1.08 | 0 | 1.05 | 0 | 1.05 | 0 | 0.98 | 0 | 0.98 | 0 |
1165 | libgromacs_mpi.so.7.0.0 - atomdata.cpp:193-200 | copy_rvec_to_nbat_real(int const*, int, int, float const (*) [3], int, float*, int) | Single | 0.11 | 0.12 | 0.15 | 0.2 | 0.22 | 0.19 | 0.2 | 2.3 | 1.46 | 0.9 | 0.65 | 0.46 | 0.33 | 0.2 | 2.3 | 1.36 | 0.84 | 0.59 | 0.35 | 0.18 | 0.11 | 1 | 2 | 4 | 8 | 16 | 24 | 48 | 0 | 13.89 | 1.85 | 1 | 7.11 | 1 | 1.07 | 1.07 | 1.12 | 1.31 | 1.38 | 1.43 | NA | NA | NA | NA | NA | 1 | 0 | 0.85 | 0.02 | 0.68 | 0.05 | 0.49 | 0.1 | 0.41 | 0.13 | 0.4 | 0.11 | 0.33 | 0.13 |
2518 | libgromacs_mpi.so.7.0.0 - lincs.cpp:919-930 [...] | .omp_outlined..36#0x6f4b68 | Innermost | 0.11 | 0.1 | 0.11 | 0.1 | 0.1 | 0.1 | 0.1 | 2.31 | 1.18 | 0.8 | 0.44 | 0.29 | 0.27 | 0.25 | 2.31 | 1.11 | 0.6 | 0.31 | 0.16 | 0.09 | 0.05 | 1 | 2 | 4 | 8 | 16 | 22 | 43 | 97.18 | 49.3 | 1 | 1.41 | 2 | 1 | 1.06 | 1.33 | 1.42 | 1.81 | 2.08 | 3.13 | NA | NA | NA | NA | NA | 1 | 0 | 1.04 | 0 | 0.96 | 0 | 0.93 | 0.01 | 0.9 | 0.01 | 0.8 | 0.02 | 0.72 | 0.03 |
661 | libgromacs_mpi.so.7.0.0 - kernel_outer.h:618-621 [...] | nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*) | Single | 0.11 | 0.11 | 0.1 | 0.09 | 0.1 | 0.08 | 0.07 | 2.35 | 1.25 | 0.83 | 0.39 | 0.88 | 0.44 | 0.31 | 2.35 | 1.22 | 0.58 | 0.28 | 0.16 | 0.07 | 0.04 | 1 | 2 | 4 | 8 | 8 | 9 | 18 | 96.28 | 50.58 | 1 | 1.65 | 2.01 | 1 | 1.02 | 1.43 | 1.39 | 2.84 | 1.69 | 2.21 | NA | NA | NA | NA | NA | 1 | 0 | 0.96 | 0 | 1.01 | 0 | 1.05 | 0 | 0.92 | 0.01 | 1.05 | 0 | 0.92 | 0.01 |
15891 | libgromacs_mpi.so.7.0.0 - functions.h:164-321 [...] | 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... | Single | 0.1 | 0.1 | 0.1 | 0.09 | 0.08 | 0.07 | 0.07 | 2.2 | 1.23 | 0.82 | 0.37 | 0.26 | 0.18 | 0.15 | 2.2 | 1.11 | 0.59 | 0.27 | 0.13 | 0.06 | 0.04 | 1 | 2 | 4 | 8 | 16 | 24 | 40 | 46.99 | 23.19 | 1.59 | 1.53 | 6.01 | 1 | 1.11 | 1.39 | 1.37 | 2 | 2.25 | 2.5 | NA | NA | NA | NA | NA | 1 | 0 | 0.99 | 0 | 0.93 | 0.01 | 1.02 | 0 | 1.06 | 0 | 1.15 | 0 | 0.86 | 0.01 |
1259 | libgromacs_mpi.so.7.0.0 - md_support.cpp:139-157 [...] | .omp_outlined.#0x6f8718 | Innermost | 0.1 | 0.09 | 0.09 | 0.09 | 0.08 | 0.06 | 0.07 | 2.21 | 1.05 | 0.61 | 0.34 | 0.17 | 0.12 | 0.08 | 2.21 | 1 | 0.54 | 0.27 | 0.13 | 0.06 | 0.04 | 1 | 2 | 4 | 8 | 16 | 24 | 48 | 27.27 | 16.29 | 1.44 | 1 | 6.69 | 1 | 1.06 | 1.13 | 1.26 | 1.31 | 1.5 | 1.6 | NA | NA | NA | NA | NA | 1 | 0 | 1.1 | 0 | 1.02 | 0 | 1.02 | 0 | 1.06 | 0 | 1.15 | 0 | 0.86 | 0.01 |
1385 | libgromacs_mpi.so.7.0.0 - atomdata.cpp:1163-1169 [...] | .omp_outlined..25 | Innermost | 0.1 | 0.12 | 0.13 | 0.17 | 0.17 | 0.17 | 0.19 | 2.1 | 1.29 | 0.77 | 0.58 | 0.38 | 0.31 | 0.19 | 2.1 | 1.28 | 0.73 | 0.5 | 0.28 | 0.17 | 0.1 | 1 | 2 | 4 | 8 | 16 | 24 | 48 | 9.09 | 14.77 | 1.15 | 1 | 6.67 | 1 | 1.01 | 1.05 | 1.16 | 1.36 | 1.41 | 1.46 | NA | NA | NA | NA | NA | 1 | 0 | 0.82 | 0.02 | 0.72 | 0.04 | 0.53 | 0.08 | 0.47 | 0.09 | 0.39 | 0.1 | 0.33 | 0.13 |
16392 | libgromacs_mpi.so.7.0.0 - pme_solve.cpp:524-531 | solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int) | Innermost | 0.09 | 0.09 | 0.08 | 0.09 | 0.08 | 0.06 | 0.05 | 1.99 | 1 | 0.52 | 0.31 | 0.16 | 0.28 | 0.15 | 1.99 | 0.99 | 0.45 | 0.26 | 0.13 | 0.06 | 0.03 | 1 | 2 | 4 | 8 | 16 | 8 | 16 | 95.24 | 48.81 | 1 | 1.65 | 2 | 1 | 1.01 | 1.16 | 1.19 | 1.23 | 1.17 | 1.36 | NA | NA | NA | NA | NA | 1 | 0 | 1.01 | 0 | 1.11 | 0 | 0.96 | 0 | 0.96 | 0 | 1.04 | 0 | 1.04 | 0 |
2493 | libgromacs_mpi.so.7.0.0 - pairlist_simd_4xm.h:204-218 [...] | .omp_outlined..8 | Single | 0.09 | 0.08 | 0.08 | 0.08 | 0.1 | 0.09 | 0.08 | 1.96 | 1.01 | 0.55 | 0.3 | 0.19 | 0.18 | 0.09 | 1.96 | 0.93 | 0.45 | 0.25 | 0.15 | 0.09 | 0.04 | 1 | 2 | 4 | 8 | 16 | 24 | 48 | 53.33 | 39.17 | 1.09 | 1.09 | 1.5 | 1 | 1.09 | 1.22 | 1.2 | 1.27 | 1.5 | 1.8 | NA | NA | NA | NA | NA | 1 | 0 | 1.05 | 0 | 1.09 | 0 | 0.98 | 0 | 0.82 | 0.02 | 0.68 | 0.03 | 0.77 | 0.02 |
665 | libgromacs_mpi.so.7.0.0 - kernel_outer.h:353-648 [...] | nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*) | InBetween | 0.08 | 0.1 | 0.11 | 0.14 | 0.13 | 0.13 | 0.15 | 1.78 | 1.18 | 0.64 | 0.46 | 0.24 | 0.21 | 0.17 | 1.78 | 1.1 | 0.63 | 0.41 | 0.2 | 0.13 | 0.08 | 1 | 2 | 4 | 8 | 16 | 24 | 48 | 68.97 | 40.57 | 1.25 | 1.29 | 1.06 | 1 | 1.07 | 1.02 | 1.12 | 1.2 | 1.24 | 1.55 | NA | NA | NA | NA | NA | 1 | 0 | 0.81 | 0.02 | 0.71 | 0.03 | 0.54 | 0.06 | 0.56 | 0.06 | 0.43 | 0.07 | 0.35 | 0.1 |
14606 | libgromacs_mpi.so.7.0.0 - update.cpp:1638-1641 [...] | .omp_outlined..14 | Single | 0.07 | 0.06 | 0.06 | 0.05 | 0.05 | 0.04 | 0.04 | 1.49 | 0.67 | 0.44 | 0.21 | 0.13 | 0.08 | 0.06 | 1.49 | 0.62 | 0.34 | 0.16 | 0.08 | 0.04 | 0.02 | 1 | 2 | 4 | 8 | 16 | 24 | 48 | 0 | 12.5 | 1 | 1 | 8 | 1 | 1.1 | 1.33 | 1.31 | 1.63 | 1.6 | 2 | NA | NA | NA | NA | NA | 1 | 0 | 1.2 | 0 | 1.1 | 0 | 1.16 | 0 | 1.16 | 0 | 1.16 | 0 | 1.16 | 0 |
15800 | libgromacs_mpi.so.7.0.0 - vec.h:335-443 [...] | dih_angle(float const*, float const*, float const*, float const*, t_pbc const*, float*, float*, float*, float*, float*, int*, int*, int*) | Single | 0.07 | 0.08 | 0.09 | 0.08 | 0.07 | 0.06 | 0.05 | 1.62 | 0.98 | 0.62 | 0.3 | 0.24 | 0.18 | 0.12 | 1.62 | 0.92 | 0.5 | 0.22 | 0.11 | 0.05 | 0.03 | 1 | 2 | 4 | 8 | 16 | 22 | 36 | 23.08 | 21.15 | 1.75 | 1.47 | 6.22 | 1 | 1.07 | 1.24 | 1.36 | 2.18 | 2.25 | 2.4 | NA | NA | NA | NA | NA | 1 | 0 | 0.88 | 0.01 | 0.81 | 0.02 | 0.92 | 0.01 | 0.92 | 0.01 | 1.01 | 0 | 0.84 | 0.01 |
16391 | libgromacs_mpi.so.7.0.0 - pme_solve.cpp:234-561 [...] | solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int) | InBetween | 0.07 | 0.06 | 0.07 | 0.06 | 0.06 | 0.05 | 0.04 | 1.63 | 0.75 | 0.45 | 0.24 | 0.14 | 0.23 | 0.17 | 1.63 | 0.7 | 0.37 | 0.19 | 0.1 | 0.05 | 0.02 | 1 | 2 | 4 | 8 | 16 | 8 | 16 | 28.17 | 28.35 | 9.55 | 1.43 | 6.27 | 1 | 1.07 | 1.22 | 1.26 | 1.4 | 1.28 | 1.89 | NA | NA | NA | NA | NA | 1 | 0 | 1.16 | 0 | 1.1 | 0 | 1.07 | 0 | 1.02 | 0 | 1.02 | 0 | 1.27 | 0 |
14457 | libgromacs_mpi.so.7.0.0 - settle.cpp:423-431 [...] | gmx::csettle(gmx::SettleData const&, int, int, t_pbc const*, gmx::ArrayRefWithPadding<gmx::BasicVector<float> const>, gmx::ArrayRefWithPadding<gmx::BasicVector<float> >, float, gmx::ArrayRefWithPadding<gmx::BasicVector<flo... | Single | 0.07 | 0.08 | 0.07 | 0.07 | 0.05 | 0.05 | 0.05 | 1.48 | 0.84 | 0.52 | 0.25 | 0.14 | 0.11 | 0.07 | 1.48 | 0.83 | 0.38 | 0.2 | 0.08 | 0.05 | 0.03 | 1 | 2 | 4 | 8 | 16 | 24 | 47 | 93.12 | 49.86 | 1 | 1.55 | 2.1 | 1 | 1.01 | 1.37 | 1.25 | 1.75 | 1.83 | 2.33 | NA | NA | NA | NA | NA | 1 | 0 | 0.89 | 0.01 | 0.97 | 0 | 0.92 | 0.01 | 1.16 | 0 | 0.92 | 0 | 0.77 | 0.01 |
14503 | libgromacs_mpi.so.7.0.0 - update.cpp:481-481 [...] | .omp_outlined..19#0x719708 | Single | 0.07 | 0.1 | 0.1 | 0.08 | 0.09 | 0.07 | 0.08 | 1.42 | 1.09 | 0.64 | 0.29 | 0.21 | 0.12 | 0.1 | 1.42 | 1.07 | 0.57 | 0.23 | 0.15 | 0.06 | 0.04 | 1 | 2 | 4 | 8 | 16 | 24 | 48 | 100 | 58.33 | 1 | 1.55 | 2 | 1 | 1.03 | 1.12 | 1.26 | 1.4 | 1.33 | 1.67 | NA | NA | NA | NA | NA | 1 | 0 | 0.66 | 0.03 | 0.62 | 0.04 | 0.77 | 0.02 | 0.59 | 0.04 | 0.74 | 0.02 | 0.55 | 0.04 |
16394 | libgromacs_mpi.so.7.0.0 - pme_solve.cpp:557-561 | solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int) | Innermost | 0.07 | 0.07 | 0.06 | 0.05 | 0.06 | 0.05 | 0.04 | 1.47 | 0.75 | 0.43 | 0.2 | 0.13 | 0.22 | 0.1 | 1.47 | 0.73 | 0.36 | 0.16 | 0.1 | 0.05 | 0.02 | 1 | 2 | 4 | 8 | 16 | 8 | 16 | 50 | 37.5 | 1.33 | 1.6 | 1.23 | 1 | 1.03 | 1.23 | 1.25 | 1.3 | 1.22 | 1.11 | NA | NA | NA | NA | NA | 1 | 0 | 1.01 | 0 | 1.02 | 0 | 1.15 | 0 | 0.92 | 0 | 0.92 | 0 | 1.15 | 0 |
2469 | libgromacs_mpi.so.7.0.0 - pairlist.cpp:3392-3396 [...] | .omp_outlined..8 | Innermost | 0.05 | 0.04 | 0.05 | 0.06 | 0.16 | 0.15 | 0.12 | 1.01 | 0.5 | 0.31 | 0.25 | 0.36 | 0.26 | 0.14 | 1.01 | 0.48 | 0.29 | 0.16 | 0.26 | 0.14 | 0.06 | 1 | 2 | 4 | 8 | 16 | 24 | 48 | 0 | 20.83 | 1.17 | 1 | 5.6 | 1 | 1.04 | 1.07 | 1.56 | 1.38 | 1.44 | 1.75 | NA | NA | NA | NA | NA | 1 | 0 | 1.05 | 0 | 0.87 | 0.01 | 0.79 | 0.01 | 0.24 | 0.12 | 0.23 | 0.12 | 0.26 | 0.09 |
15824 | libgromacs_mpi.so.7.0.0 - bonded.cpp:2179-2256 [...] | 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*... | Single | 0.05 | 0.03 | 0.04 | 0.03 | 0.03 | 0.03 | 0.03 | 1 | 0.35 | 0.29 | 0.15 | 0.24 | 0.18 | 0.13 | 1 | 0.35 | 0.2 | 0.1 | 0.05 | 0.03 | 0.02 | 1 | 2 | 4 | 8 | 8 | 9 | 15 | 76.99 | 45.08 | 1.44 | 1.8 | 1.09 | 1 | 1.03 | 1.45 | 1.5 | 2.4 | 1.8 | 2.17 | NA | NA | NA | NA | NA | 1 | 0 | 1.43 | 0 | 1.25 | 0 | 1.25 | 0 | 1.25 | 0 | 1.04 | 0 | 0.78 | 0.01 |
4011 | libgromacs_mpi.so.7.0.0 - vec.h:141-147 [...] | .omp_outlined..17 | Innermost | 0.05 | 0.04 | 0.05 | 0.05 | 0.05 | 0.05 | 0.04 | 1.12 | 0.49 | 0.31 | 0.2 | 0.17 | 0.15 | 0.07 | 1.12 | 0.47 | 0.27 | 0.15 | 0.08 | 0.04 | 0.02 | 1 | 2 | 4 | 8 | 16 | 23 | 40 | 42.86 | 30.36 | 1 | 1 | 3.2 | 1 | 1.07 | 1.15 | 1.33 | 2.13 | 2.5 | 2.33 | NA | NA | NA | NA | NA | 1 | 0 | 1.19 | 0 | 1.04 | 0 | 0.93 | 0 | 0.88 | 0.01 | 0.88 | 0.01 | 0.88 | 0 |
15966 | libgromacs_mpi.so.7.0.0 - functions.h:164-164 [...] | 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) | Single | 0.05 | 0.05 | 0.04 | 0.05 | 0.05 | 0.03 | 0.03 | 1.13 | 0.7 | 0.34 | 0.22 | 0.17 | 0.11 | 0.09 | 1.13 | 0.61 | 0.25 | 0.14 | 0.08 | 0.03 | 0.02 | 1 | 2 | 4 | 8 | 16 | 22 | 37 | 37.84 | 24.83 | 1.45 | 1.3 | 5.35 | 1 | 1.17 | 1.36 | 1.57 | 2.13 | 2.2 | 3 | NA | NA | NA | NA | NA | 1 | 0 | 0.93 | 0 | 1.13 | 0 | 1.01 | 0 | 0.88 | 0.01 | 1.18 | 0 | 0.88 | 0 |
16082 | libgromacs_mpi.so.7.0.0 - pairs.cpp:76-824 [...] | 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>, ... | Outermost | 0.05 | 0.06 | 0.04 | 0.05 | 0.04 | 0.04 | 0.03 | 1.18 | 0.7 | 0.41 | 0.24 | 0.14 | 0.12 | 0.08 | 1.18 | 0.62 | 0.24 | 0.16 | 0.06 | 0.04 | 0.02 | 1 | 2 | 4 | 8 | 15 | 22 | 37 | 20.31 | 21.29 | 1.35 | 1.24 | 6.5 | 1 | 1.13 | 1.71 | 1.5 | 2 | 2.4 | 2.67 | NA | NA | NA | NA | NA | 1 | 0 | 0.95 | 0 | 1.23 | 0 | 0.92 | 0 | 1.23 | 0 | 0.92 | 0 | 0.92 | 0 |
16404 | libgromacs_mpi.so.7.0.0 - pme_solve.cpp:234-234 [...] | solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int) | Innermost | 0.04 | 0.04 | 0.04 | 0.03 | 0.04 | 0.03 | 0.02 | 0.88 | 0.49 | 0.26 | 0.11 | 0.08 | 0.13 | 0.08 | 0.88 | 0.47 | 0.2 | 0.1 | 0.06 | 0.03 | 0.01 | 1 | 2 | 4 | 8 | 16 | 8 | 16 | 97.06 | 49.26 | 1 | 1.55 | 2 | 1 | 1.04 | 1.3 | 1.1 | 1.33 | 1.18 | 1.6 | NA | NA | NA | NA | NA | 1 | 0 | 0.94 | 0 | 1.1 | 0 | 1.1 | 0 | 0.92 | 0 | 0.92 | 0 | 1.38 | 0 |
2520 | libgromacs_mpi.so.7.0.0 - lincs.cpp:1085-1089 [...] | .omp_outlined..36#0x6f4b68 | Outermost | 0.04 | 0.05 | 0.05 | 0.06 | 0.05 | 0.04 | 0.04 | 0.83 | 0.54 | 0.38 | 0.22 | 0.15 | 0.11 | 0.1 | 0.83 | 0.52 | 0.27 | 0.16 | 0.08 | 0.04 | 0.02 | 1 | 2 | 4 | 8 | 16 | 22 | 41 | 0 | 23.75 | 1 | 1 | 4.9 | 1 | 1.04 | 1.41 | 1.38 | 1.88 | 1.83 | 3.33 | NA | NA | NA | NA | NA | 1 | 0 | 0.8 | 0.01 | 0.77 | 0.01 | 0.65 | 0.02 | 0.65 | 0.02 | 0.65 | 0.01 | 0.65 | 0.01 |
2489 | libgromacs_mpi.so.7.0.0 - stl_vector.h:1189-1194 [...] | .omp_outlined..8 | Innermost | 0.04 | 0.04 | 0.04 | 0.04 | 0.03 | 0.03 | 0.02 | 0.81 | 0.43 | 0.25 | 0.15 | 0.08 | 0.06 | 0.04 | 0.81 | 0.42 | 0.22 | 0.1 | 0.05 | 0.03 | 0.01 | 1 | 2 | 4 | 8 | 16 | 24 | 46 | 0 | 17.86 | 1 | 1 | 6.5 | 1 | 1.02 | 1.14 | 1.5 | 1.6 | 1.5 | 2 | NA | NA | NA | NA | NA | 1 | 0 | 0.96 | 0 | 0.92 | 0 | 1.01 | 0 | 1.01 | 0 | 0.84 | 0 | 1.27 | 0 |
13607 | libgromacs_mpi.so.7.0.0 - calcvir.cpp:61-67 [...] | calc_x_times_f(int, float const (*) [3], float const (*) [3], bool, float const (*) [3], float (*) [3]) [clone .1] [clone .extracted] | Single | 0.03 | 0.03 | 0.02 | 0.03 | 0.02 | 0.02 | 0.02 | 0.57 | 0.35 | 0.16 | 0.1 | 0.06 | 0.05 | 0.04 | 0.57 | 0.31 | 0.14 | 0.08 | 0.04 | 0.02 | 0.01 | 1 | 2 | 4 | 8 | 16 | 23 | 43 | 0 | 12.95 | 1 | 1 | 8 | 1 | 1.13 | 1.14 | 1.25 | 1.5 | 2.5 | 4 | NA | NA | NA | NA | NA | 1 | 0 | 0.92 | 0 | 1.02 | 0 | 0.89 | 0 | 0.89 | 0 | 0.89 | 0 | 0.89 | 0 |
16263 | libgromacs_mpi.so.7.0.0 - pme_grid.cpp:440-442 | wrap_periodic_pmegrid(gmx_pme_t const*, float*) | Innermost | 0.03 | 0.03 | 0.02 | 0.02 | 0.02 | 0.01 | 0.01 | 0.66 | 0.36 | 0.13 | 0.06 | 0.04 | 0.07 | 0.04 | 0.66 | 0.34 | 0.12 | 0.05 | 0.03 | 0.01 | 0 | 1 | 2 | 4 | 8 | 16 | 8 | 15 | 0 | 15.63 | 1 | 1 | 6.22 | 1 | 1.09 | 1.08 | 1.2 | 1.33 | 1.4 | 2 | NA | NA | NA | NA | NA | 1 | 0 | 0.97 | 0 | 1.38 | 0 | 1.65 | 0 | 1.38 | 0 | 2.06 | 0 | 1 | 0 |
2454 | libgromacs_mpi.so.7.0.0 - pairlist.cpp:607-1420 [...] | .omp_outlined..8 | InBetween | 0.03 | 0.03 | 0.03 | 0.02 | 0.03 | 0.02 | 0.02 | 0.55 | 0.36 | 0.18 | 0.09 | 0.07 | 0.05 | 0.04 | 0.55 | 0.35 | 0.16 | 0.07 | 0.04 | 0.02 | 0.01 | 1 | 2 | 4 | 8 | 16 | 23 | 43 | 0 | 16.07 | 1 | 1 | 7.16 | 1 | 1.03 | 1.13 | 1.29 | 1.75 | 1.67 | 4 | NA | NA | NA | NA | NA | 1 | 0 | 0.79 | 0.01 | 0.86 | 0 | 0.98 | 0 | 0.86 | 0 | 0.86 | 0 | 0.86 | 0 |
16403 | libgromacs_mpi.so.7.0.0 - pme_solve.cpp:488-496 | solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int) | Innermost | 0.02 | 0.02 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.44 | 0.22 | 0.12 | 0.06 | 0.04 | 0.06 | 0.03 | 0.44 | 0.21 | 0.08 | 0.04 | 0.02 | 0.01 | 0 | 1 | 2 | 4 | 8 | 16 | 8 | 16 | 88.24 | 49.26 | 1 | 1.37 | 2.08 | 1 | 1.1 | 1.5 | 1.5 | 2 | 1.5 | 1.5 | NA | NA | NA | NA | NA | 1 | 0 | 1.05 | 0 | 1.38 | 0 | 1.38 | 0 | 1.38 | 0 | 1.38 | 0 | 1 | 0 |
2442 | libgromacs_mpi.so.7.0.0 - pairlist.cpp:1991-1995 [...] | .omp_outlined..8 | Innermost | 0.02 | 0.02 | 0.01 | 0.01 | 0.02 | 0.01 | 0.01 | 0.38 | 0.23 | 0.09 | 0.06 | 0.05 | 0.03 | 0.02 | 0.38 | 0.21 | 0.08 | 0.04 | 0.03 | 0.01 | 0 | 1 | 2 | 4 | 8 | 16 | 23 | 35 | 0 | 21.88 | 1 | 1 | 4.92 | 1 | 1.1 | 1.13 | 1.5 | 1.67 | 3 | 2 | NA | NA | NA | NA | NA | 1 | 0 | 0.9 | 0 | 1.19 | 0 | 1.19 | 0 | 0.79 | 0 | 1.19 | 0 | 1 | 0 |
15901 | libgromacs_mpi.so.7.0.0 - bonded.cpp:1913-2008 [...] | 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... | Innermost | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.52 | 0.28 | 0.18 | 0.11 | 0.07 | 0.06 | 0.04 | 0.52 | 0.23 | 0.11 | 0.05 | 0.03 | 0.02 | 0.01 | 1 | 2 | 4 | 8 | 15 | 21 | 31 | 25 | 21.25 | 1.6 | 1 | 6.2 | 1 | 1.22 | 1.64 | 2.2 | 2.33 | 3 | 2 | NA | NA | NA | NA | NA | 1 | 0 | 1.13 | 0 | 1.18 | 0 | 1.3 | 0 | 1.08 | 0 | 0.81 | 0 | 0.81 | 0 |
13598 | libgromacs_mpi.so.7.0.0 - pme_grid.cpp:537-539 | .omp_outlined..3#0x7af3c8 | Innermost | 0.02 | 0.02 | 0.02 | 0.02 | 0.03 | 0.02 | 0.02 | 0.43 | 0.24 | 0.15 | 0.11 | 0.06 | 0.08 | 0.05 | 0.43 | 0.23 | 0.12 | 0.07 | 0.04 | 0.02 | 0.01 | 1 | 2 | 4 | 8 | 16 | 8 | 16 | 0 | 12.5 | 1 | 1 | 8 | 1 | 1.04 | 1.25 | 1.57 | 1.5 | 1.33 | 1.67 | NA | NA | NA | NA | NA | 1 | 0 | 0.93 | 0 | 0.9 | 0 | 0.77 | 0 | 0.67 | 0.01 | 0.67 | 0.01 | 0.67 | 0.01 |
14505 | libgromacs_mpi.so.7.0.0 - update.cpp:365-387 [...] | .omp_outlined..19#0x719708 | Single | 0.02 | 0.02 | 0.01 | 0.02 | 0.02 | 0.01 | 0.02 | 0.4 | 0.19 | 0.08 | 0.07 | 0.06 | 0.04 | 0.03 | 0.4 | 0.2 | 0.08 | 0.05 | 0.03 | 0.01 | 0.01 | 1 | 2 | 4 | 8 | 16 | 23 | 43 | 68.63 | 39.95 | 1.05 | 1.41 | 1.99 | 1 | 1 | 1.14 | 1.4 | 2 | 2 | 3 | NA | NA | NA | NA | NA | 1 | 0 | 1 | 0 | 1.25 | 0 | 1 | 0 | 0.83 | 0 | 1.25 | 0 | 0.63 | 0.01 |
2455 | libgromacs_mpi.so.7.0.0 - pairlist.cpp:607-1322 [...] | .omp_outlined..8 | Innermost | 0.02 | 0.02 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.39 | 0.21 | 0.09 | 0.04 | 0.03 | 0.02 | 0.02 | 0.39 | 0.18 | 0.08 | 0.03 | 0.02 | 0.01 | 0 | 1 | 2 | 4 | 8 | 16 | 23 | 26 | 0 | 12.5 | 1 | 1 | 8 | 1 | 1.17 | 1.29 | 1.33 | 1.5 | 2 | 2 | NA | NA | NA | NA | NA | 1 | 0 | 1.08 | 0 | 1.22 | 0 | 1.63 | 0 | 1.22 | 0 | 1.22 | 0 | 1 | 0 |
2440 | libgromacs_mpi.so.7.0.0 - pairlist.cpp:244-3490 [...] | .omp_outlined..8 | InBetween | 0.02 | 0.02 | 0.02 | 0.02 | 0.03 | 0.03 | 0.03 | 0.39 | 0.17 | 0.12 | 0.07 | 0.07 | 0.07 | 0.05 | 0.39 | 0.17 | 0.11 | 0.06 | 0.05 | 0.03 | 0.02 | 1 | 2 | 4 | 8 | 16 | 24 | 47 | 20.09 | 25.41 | 8.88 | 2 | 6.51 | 1 | 1 | 1.2 | 1.17 | 1.4 | 1.75 | 2.5 | NA | NA | NA | NA | NA | 1 | 0 | 1.15 | 0 | 0.89 | 0 | 0.81 | 0 | 0.49 | 0.02 | 0.41 | 0.02 | 0.3 | 0.02 |
16081 | libgromacs_mpi.so.7.0.0 - pairs.cpp:76-670 [...] | 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>, ... | Innermost | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.34 | 0.28 | 0.15 | 0.11 | 0.06 | 0.06 | 0.05 | 0.34 | 0.25 | 0.1 | 0.06 | 0.03 | 0.02 | 0.01 | 1 | 2 | 4 | 8 | 15 | 21 | 39 | 13.21 | 19.1 | 1.98 | 1.73 | 6.64 | 1 | 1.17 | 1.67 | 1.83 | 2 | 2 | 2.5 | NA | NA | NA | NA | NA | 1 | 0 | 0.68 | 0.01 | 0.85 | 0 | 0.71 | 0.01 | 0.71 | 0.01 | 0.53 | 0.01 | 0.53 | 0.01 |
2443 | libgromacs_mpi.so.7.0.0 - pairlist.cpp:1981-1985 [...] | .omp_outlined..8 | Innermost | 0.02 | 0.02 | 0.02 | 0.01 | 0.02 | 0.01 | 0.01 | 0.38 | 0.2 | 0.14 | 0.06 | 0.05 | 0.03 | 0.02 | 0.38 | 0.2 | 0.11 | 0.04 | 0.03 | 0.01 | 0.01 | 1 | 2 | 4 | 8 | 16 | 24 | 37 | 0 | 21.88 | 1 | 1 | 4.92 | 1 | 1 | 1.4 | 1.5 | 1.67 | 1.5 | 2 | NA | NA | NA | NA | NA | 1 | 0 | 0.95 | 0 | 0.86 | 0 | 1.19 | 0 | 0.79 | 0 | 1.19 | 0 | 0.59 | 0 |
1151 | libgromacs_mpi.so.7.0.0 - kernel_prune.cpp:76-176 [...] | nbnxn_kernel_prune_4xn(NbnxnPairlistCpu*, nbnxn_atomdata_t const*, gmx::ArrayRef<gmx::BasicVector<float> const>, float) | Outermost | 0.02 | 0.02 | 0.03 | 0.04 | 0.04 | 0.03 | 0.04 | 0.44 | 0.28 | 0.17 | 0.13 | 0.1 | 0.09 | 0.06 | 0.44 | 0.28 | 0.16 | 0.11 | 0.06 | 0.03 | 0.02 | 1 | 2 | 4 | 8 | 16 | 24 | 48 | 22.96 | 25.69 | 2.1 | 1 | 6.27 | 1 | 1.04 | 1.06 | 1.18 | 1.67 | 2.25 | 2 | NA | NA | NA | NA | NA | 1 | 0 | 0.79 | 0 | 0.69 | 0.01 | 0.5 | 0.02 | 0.46 | 0.02 | 0.46 | 0.02 | 0.34 | 0.03 |
2474 | libgromacs_mpi.so.7.0.0 - pairlist.cpp:272-276 [...] | .omp_outlined..8 | Innermost | 0.01 | 0.01 | 0.01 | 0.01 | 0.02 | 0.02 | 0.01 | 0.12 | 0.14 | 0.07 | 0.08 | 0.04 | 0.04 | 0.02 | 0.12 | 0.1 | 0.05 | 0.03 | 0.03 | 0.01 | 0.01 | 1 | 2 | 4 | 8 | 16 | 24 | 42 | 0 | 12.5 | 1.25 | 1 | 8 | 1 | 1.4 | 1.4 | 2.67 | 1.33 | 2 | 2 | NA | NA | NA | NA | NA | 1 | 0 | 0.6 | 0 | 0.6 | 0 | 0.5 | 0.01 | 0.25 | 0.01 | 0.38 | 0.01 | 0.19 | 0.01 |
1526 | libgromacs_mpi.so.7.0.0 - grid.cpp:415-420 | Nbnxm::sort_atoms(int, bool, int, bool, int*, int, gmx::ArrayRef<gmx::BasicVector<float> const>, float, float, int, gmx::ArrayRef<int>) [clone .23] [clone .extracted] | Single | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.02 | 0.14 | 0.12 | 0.08 | 0.06 | 0.03 | 0.03 | 0.02 | 0.14 | 0.12 | 0.07 | 0.04 | 0.02 | 0.01 | 0.01 | 1 | 2 | 4 | 8 | 15 | 24 | 44 | 0 | 25 | 1 | 1 | 4 | 1 | 1.09 | 1.14 | 1.5 | 1.5 | 1.5 | 2 | NA | NA | NA | NA | NA | 1 | 0 | 0.58 | 0 | 0.5 | 0.01 | 0.44 | 0.01 | 0.44 | 0.01 | 0.44 | 0.01 | 0.22 | 0.02 |
2473 | libgromacs_mpi.so.7.0.0 - pairlist.cpp:281-282 [...] | .omp_outlined..8 | Innermost | 0.01 | 0.01 | 0.01 | 0.01 | 0.02 | 0.02 | 0.02 | 0.12 | 0.11 | 0.08 | 0.04 | 0.04 | 0.04 | 0.03 | 0.12 | 0.1 | 0.06 | 0.03 | 0.02 | 0.02 | 0.01 | 1 | 2 | 4 | 8 | 16 | 24 | 41 | 0 | 12.5 | 1.2 | 1 | 8 | 1 | 1.1 | 1.33 | 1.33 | 2 | 2 | 3 | NA | NA | NA | NA | NA | 1 | 0 | 0.6 | 0 | 0.5 | 0.01 | 0.5 | 0.01 | 0.38 | 0.01 | 0.19 | 0.02 | 0.19 | 0.02 |
1256 | libgromacs_mpi.so.7.0.0 - mdatoms.cpp:327-497 [...] | .omp_outlined.#0x6fa0c8 | InBetween | 0.01 | 0.01 | 0.01 | 0.02 | 0.02 | 0.02 | 0.03 | 0.13 | 0.11 | 0.07 | 0.08 | 0.05 | 0.04 | 0.04 | 0.13 | 0.1 | 0.05 | 0.05 | 0.03 | 0.02 | 0.02 | 1 | 2 | 4 | 8 | 16 | 24 | 48 | 25.93 | 20.6 | 2.87 | 1 | 7.61 | 1 | 1.1 | 1.4 | 1.6 | 1.67 | 2 | 2 | NA | NA | NA | NA | NA | 1 | 0 | 0.65 | 0 | 0.65 | 0 | 0.33 | 0.01 | 0.27 | 0.01 | 0.2 | 0.02 | 0.1 | 0.03 |
16265 | libgromacs_mpi.so.7.0.0 - pme_grid.cpp:502-504 | unwrap_periodic_pmegrid(gmx_pme_t*, float*) | Single | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0.11 | | | | | | | 0.11 | | | | | | | 1 | | | | | | | 66.67 | 75 | 1.5 | 1 | 1.33 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | NA | NA | NA | NA | NA | 1 | 0 | | | | | | | | | | | | |
3274 | libgromacs_mpi.so.7.0.0 - localtopology.cpp:508-513 [...] | int assignInteractionsForAtom<true>(AtomIndexSet const&, reverse_ilist_t const&, gmx_ga2la_t const&, gmx_domdec_zones_t const&, bool, int const*, bool, float, t_pbc const*, gmx::ArrayRef<gmx::BasicVector<float> const>, Int... | Innermost | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0.11 | | | | | | | 0.11 | | | | | | | 1 | | | | | | | 0 | 16.67 | 1 | 1 | 7.2 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | NA | NA | NA | NA | NA | 1 | 0 | | | | | | | | | | | | |
16399 | libgromacs_mpi.so.7.0.0 - pme_solve.cpp:234-511 [...] | solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int) | InBetween | 0.01 | 0.02 | 0.02 | 0.01 | 0.01 | 0.01 | 0.01 | 0.32 | 0.17 | 0.16 | 0.08 | 0.03 | 0.07 | 0.04 | 0.32 | 0.17 | 0.09 | 0.04 | 0.02 | 0.01 | 0.01 | 1 | 2 | 4 | 8 | 16 | 8 | 16 | 14.87 | 24.49 | 10.93 | 1.37 | 6.01 | 1 | 1 | 1.78 | 2 | 1.5 | 1.75 | 2 | NA | NA | NA | NA | NA | 1 | 0 | 0.94 | 0 | 0.89 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 0.5 | 0.01 |
2457 | libgromacs_mpi.so.7.0.0 - pairlist.cpp:1253-3340 [...] | .omp_outlined..8 | Innermost | 0.01 | 0.02 | 0.01 | 0.02 | 0.03 | 0.03 | 0.03 | 0.28 | 0.18 | 0.11 | 0.09 | 0.07 | 0.07 | 0.04 | 0.28 | 0.17 | 0.09 | 0.05 | 0.04 | 0.02 | 0.02 | 1 | 2 | 4 | 8 | 16 | 24 | 48 | 7.69 | 16.35 | 2.92 | 1 | 7.26 | 1 | 1.06 | 1.38 | 1.8 | 1.75 | 2.33 | 2 | NA | NA | NA | NA | NA | 1 | 0 | 0.82 | 0 | 0.78 | 0 | 0.7 | 0.01 | 0.44 | 0.02 | 0.44 | 0.02 | 0.22 | 0.02 |
15900 | libgromacs_mpi.so.7.0.0 - bonded.cpp:1913-2011 [...] | 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... | Outermost | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.23 | 0.07 | 0.07 | 0.06 | 0.03 | 0.02 | 0.02 | 0.23 | 0.07 | 0.05 | 0.02 | 0.01 | 0.01 | 0 | 1 | 2 | 4 | 8 | 13 | 19 | 19 | 4 | 22.5 | 3.86 | 1 | 5.54 | 1 | 1.17 | 1.4 | 3 | 3 | 2 | 2 | NA | NA | NA | NA | NA | 1 | 0 | 1.64 | 0 | 1.15 | 0 | 1.44 | 0 | 1.44 | 0 | 0.72 | 0 | 1 | 0 |
3265 | libgromacs_mpi.so.7.0.0 - localtopology.cpp:748-750 [...] | 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:... | Innermost | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0.31 | | | | | | | 0.31 | | | | | | | 1 | | | | | | | 0 | 23.03 | 1 | 1 | 5.5 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | NA | NA | NA | NA | NA | 1 | 0 | | | | | | | | | | | | |
3260 | libgromacs_mpi.so.7.0.0 - localtopology.cpp:737-787 [...] | 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:... | InBetween | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0.13 | | | | | | | 0.13 | | | | | | | 1 | | | | | | | 0 | 21.2 | 1 | 1 | 5.75 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | NA | NA | NA | NA | NA | 1 | 0 | | | | | | | | | | | | |
14529 | libgromacs_mpi.so.7.0.0 - sim_util.cpp:150-152 [...] | .omp_outlined..19 | Single | 0.01 | 0.01 | 0.01 | 0.02 | 0.02 | 0.02 | 0.02 | 0.19 | 0.14 | 0.09 | 0.07 | 0.06 | 0.05 | 0.03 | 0.19 | 0.13 | 0.07 | 0.05 | 0.03 | 0.01 | 0.01 | 1 | 2 | 4 | 8 | 16 | 24 | 42 | 11.11 | 19.44 | 1.33 | 1.14 | 5.57 | 1 | 1.17 | 1.29 | 1.4 | 2 | 2.5 | 3 | NA | NA | NA | NA | NA | 1 | 0 | 0.73 | 0 | 0.68 | 0 | 0.47 | 0.01 | 0.4 | 0.01 | 0.59 | 0.01 | 0.3 | 0.01 |
3273 | libgromacs_mpi.so.7.0.0 - localtopology.cpp:416-576 [...] | int assignInteractionsForAtom<true>(AtomIndexSet const&, reverse_ilist_t const&, gmx_ga2la_t const&, gmx_domdec_zones_t const&, bool, int const*, bool, float, t_pbc const*, gmx::ArrayRef<gmx::BasicVector<float> const>, Int... | Innermost | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0.22 | | | | | | | 0.22 | | | | | | | 1 | | | | | | | 0 | 15 | 1 | 1 | 7.38 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | NA | NA | NA | NA | NA | 1 | 0 | | | | | | | | | | | | |
669 | libgromacs_mpi.so.7.0.0 - kernel_outer.h:618-621 [...] | nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*) | Single | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.31 | 0.17 | 0.16 | 0.1 | 0.11 | 0.08 | 0.04 | 0.31 | 0.17 | 0.08 | 0.04 | 0.02 | 0.01 | 0.01 | 1 | 2 | 4 | 8 | 6 | 8 | 17 | 97.38 | 49.92 | 1 | 1.6 | 2.01 | 1 | 1.06 | 2 | 2.5 | 2.75 | 2.67 | 2 | NA | NA | NA | NA | NA | 1 | 0 | 0.91 | 0 | 0.97 | 0 | 0.97 | 0 | 0.97 | 0 | 0.97 | 0 | 0.48 | 0.01 |
3272 | libgromacs_mpi.so.7.0.0 - localtopology.cpp:416-576 [...] | int assignInteractionsForAtom<true>(AtomIndexSet const&, reverse_ilist_t const&, gmx_ga2la_t const&, gmx_domdec_zones_t const&, bool, int const*, bool, float, t_pbc const*, gmx::ArrayRef<gmx::BasicVector<float> const>, Int... | Outermost | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0.17 | | | | | | | 0.17 | | | | | | | 1 | | | | | | | 0 | 21.5 | 1 | 1 | 5.68 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | NA | NA | NA | NA | NA | 1 | 0 | | | | | | | | | | | | |
16408 | libgromacs_mpi.so.7.0.0 - pme_solve.cpp:457-470 | solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int) | Innermost | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.26 | 0.16 | 0.09 | 0.05 | 0.05 | 0.05 | 0.04 | 0.26 | 0.14 | 0.09 | 0.04 | 0.02 | 0.01 | 0 | 1 | 2 | 4 | 8 | 15 | 8 | 16 | 92.86 | 47.77 | 1 | 1.47 | 2.06 | 1 | 1.23 | 1.13 | 1.25 | 2.5 | 1.25 | 2 | NA | NA | NA | NA | NA | 1 | 0 | 0.93 | 0 | 0.72 | 0 | 0.81 | 0 | 0.81 | 0 | 0.81 | 0 | 1 | 0 |
15827 | libgromacs_mpi.so.7.0.0 - functions.h:0-0 [...] | float (anonymous namespace)::idihs<(BondedKernelFlavor)0>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, float, float*, gmx::ArrayRef<float const>, t_fcdata*, t_disresdata*, t_oriresdata*, in... | Single | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.18 | 0.12 | 0.08 | 0.04 | 0.09 | 0.06 | 0.05 | 0.18 | 0.1 | 0.05 | 0.03 | 0.01 | 0.01 | 0 | 1 | 2 | 4 | 8 | 7 | 10 | 16 | 10 | 19.58 | 2.69 | 1 | 7.07 | 1 | 1.2 | 1.6 | 1.33 | 3 | 3 | 2.5 | NA | NA | NA | NA | NA | 1 | 0 | 0.9 | 0 | 0.9 | 0 | 0.75 | 0 | 1.13 | 0 | 0.56 | 0 | 1 | 0 |
16400 | libgromacs_mpi.so.7.0.0 - pme_solve.cpp:443-454 | solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int) | Innermost | 0.01 | 0.01 | 0.02 | 0.02 | 0.01 | 0.01 | 0.01 | 0.25 | 0.17 | 0.11 | 0.06 | 0.03 | 0.04 | 0.04 | 0.25 | 0.15 | 0.09 | 0.05 | 0.02 | 0.01 | 0 | 1 | 2 | 4 | 8 | 16 | 8 | 16 | 92.86 | 47.77 | 1 | 1.44 | 2.06 | 1 | 1.13 | 1.22 | 1.2 | 1.5 | 1.33 | 2 | NA | NA | NA | NA | NA | 1 | 0 | 0.83 | 0 | 0.69 | 0.01 | 0.63 | 0.01 | 0.78 | 0 | 0.78 | 0 | 1 | 0 |
2512 | libgromacs_mpi.so.7.0.0 - lincs.cpp:1215-1223 | .omp_outlined..36#0x6f4b68 | Single | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.21 | 0.17 | 0.13 | 0.08 | 0.04 | 0.04 | 0.04 | 0.21 | 0.15 | 0.08 | 0.04 | 0.02 | 0.01 | 0.01 | 1 | 2 | 4 | 8 | 12 | 20 | 31 | 4.55 | 13.64 | 1.12 | 1 | 8 | 1 | 1.13 | 1.63 | 2 | 2 | 2 | 4 | NA | NA | NA | NA | NA | 1 | 0 | 0.7 | 0 | 0.66 | 0 | 0.66 | 0 | 0.66 | 0 | 0.66 | 0 | 0.33 | 0.01 |
3153 | libgromacs_mpi.so.7.0.0 - domdec_specatomcomm.cpp:225-227 [...] | dd_move_x_specat(gmx_domdec_t const*, gmx_domdec_specat_comm_t*, float const (*) [3], float (*) [3], float (*) [3], bool) | Innermost | 0 | 0 | 0.01 | 0.03 | 0.03 | 0.03 | 0.04 | | | 0.11 | 0.12 | 0.09 | 0.08 | 0.07 | | | 0.08 | 0.08 | 0.05 | 0.03 | 0.02 | | | 3 | 7 | 15 | 23 | 45 | 0 | 14.29 | 1.15 | 1 | 8 | 0 | 0 | 1 | 1.33 | 1.8 | 2 | 2.33 | NA | NA | NA | NA | NA | | | | | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
2945 | libgromacs_mpi.so.7.0.0 - domdec.cpp:428-432 [...] | dd_move_f(gmx_domdec_t*, gmx::ForceWithShiftForces*, gmx_wallcycle*) | Single | 0 | 0.02 | 0.05 | 0.08 | 0.14 | 0.13 | 0.14 | | 0.25 | 0.33 | 0.33 | 0.25 | 0.23 | 0.15 | | 0.25 | 0.26 | 0.24 | 0.22 | 0.13 | 0.07 | | 2 | 4 | 8 | 16 | 24 | 48 | 11.11 | 15.28 | 1.12 | 1 | 7.24 | 0 | 1.04 | 1.27 | 1.38 | 1.14 | 1.35 | 1.67 | NA | NA | NA | NA | NA | | | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
16362 | libgromacs_mpi.so.7.0.0 - pme_pp.cpp:573-573 [...] | gmx_pme_receive_f(gmx::PmePpCommGpu*, t_commrec const*, gmx::ForceWithVirial*, float*, float*, float*, float*, bool, bool, float*) | Single | 0 | 0 | 0 | 0 | 0 | 0.07 | 0.06 | | | | | | 0.14 | 0.08 | | | | | | 0.07 | 0.03 | | | | | | 24 | 48 | 12.5 | 20.31 | 1.12 | 1.29 | 5.76 | 0 | 0 | 0 | 0 | 0 | 1.56 | 2 | NA | NA | NA | NA | NA | | | | | | | | | | | 1 | 0 | 1 | 0 |
3266 | libgromacs_mpi.so.7.0.0 - localtopology.cpp:737-787 [...] | 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... | InBetween | 0 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | | 0.08 | 0.07 | 0.04 | 0.03 | 0.04 | 0.03 | | 0.07 | 0.04 | 0.02 | 0.01 | 0.01 | 0.01 | | 2 | 4 | 8 | 16 | 23 | 41 | 0 | 20.83 | 1 | 1 | 5.67 | 0 | 1.14 | 1.75 | 2 | 3 | 4 | 3 | NA | NA | NA | NA | NA | | | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
2931 | libgromacs_mpi.so.7.0.0 - domdec.cpp:301-303 [...] | dd_move_x(gmx_domdec_t*, float const (*) [3], gmx::ArrayRef<gmx::BasicVector<float> >, gmx_wallcycle*) | Single | 0 | 0.01 | 0.02 | 0.05 | 0.05 | 0.06 | 0.07 | | 0.18 | 0.15 | 0.21 | 0.13 | 0.12 | 0.09 | | 0.09 | 0.11 | 0.14 | 0.08 | 0.05 | 0.04 | | 1 | 3 | 7 | 15 | 23 | 47 | NA | NA | 1 | NA | NA | 0 | 1 | 1.07 | 1.31 | 1.63 | 1.71 | 1.8 | NA | NA | NA | NA | NA | | | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
3157 | libgromacs_mpi.so.7.0.0 - domdec_specatomcomm.cpp:225-227 [...] | dd_move_x_specat(gmx_domdec_t const*, gmx_domdec_specat_comm_t*, float const (*) [3], float (*) [3], float (*) [3], bool) | Innermost | 0 | 0 | 0.02 | 0.03 | 0.03 | 0.03 | 0.03 | | | 0.13 | 0.14 | 0.09 | 0.09 | 0.06 | | | 0.09 | 0.09 | 0.05 | 0.03 | 0.02 | | | 3 | 7 | 15 | 23 | 46 | 0 | 14.29 | 1.15 | 1 | 8 | 0 | 0 | 1.08 | 1.27 | 1.8 | 2.25 | 3 | NA | NA | NA | NA | NA | | | | | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
3271 | libgromacs_mpi.so.7.0.0 - localtopology.cpp:748-761 [...] | 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... | Innermost | 0 | 0.01 | 0.01 | 0.02 | 0.02 | 0.01 | 0.01 | | 0.15 | 0.1 | 0.07 | 0.05 | 0.03 | 0.02 | | 0.15 | 0.07 | 0.05 | 0.03 | 0.01 | 0 | | 2 | 4 | 8 | 16 | 20 | 32 | 0 | 21.25 | 1 | 1 | 5.69 | 0 | 1 | 1.43 | 1.4 | 1.67 | 3 | 2 | NA | NA | NA | NA | NA | | | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
2938 | libgromacs_mpi.so.7.0.0 - domdec.cpp:309-314 [...] | dd_move_x(gmx_domdec_t*, float const (*) [3], gmx::ArrayRef<gmx::BasicVector<float> >, gmx_wallcycle*) | Single | 0 | 0.01 | 0.01 | 0.01 | 0.02 | 0.01 | 0.02 | | 0.16 | 0.18 | 0.19 | 0.09 | 0.1 | 0.09 | | 0.08 | 0.05 | 0.02 | 0.03 | 0.01 | 0.01 | | 1 | 1 | 1 | 7 | 10 | 13 | 0 | 14.29 | 1.22 | 1 | 8 | 0 | 1 | 1 | 1 | 1.5 | 2.5 | 2.25 | NA | NA | NA | NA | NA | | | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
16559 | libgromacs_mpi.so.7.0.0 - fft5d.cpp:818-820 | fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*) | Innermost | 0 | 0.34 | 0.38 | 0.37 | 0.26 | 0.28 | 0.18 | | 4.03 | 2.24 | 1.27 | 0.49 | 1.23 | 0.46 | | 3.79 | 2.15 | 1.11 | 0.41 | 0.27 | 0.1 | | 2 | 4 | 8 | 16 | 8 | 16 | NA | NA | 1 | NA | NA | 0 | 1.06 | 1.04 | 1.15 | 1.2 | 1.16 | 1.21 | NA | NA | NA | NA | NA | | | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
3142 | libgromacs_mpi.so.7.0.0 - domdec_specatomcomm.cpp:314-316 [...] | dd_move_x_specat(gmx_domdec_t const*, gmx_domdec_specat_comm_t*, float const (*) [3], float (*) [3], float (*) [3], bool) | Innermost | 0 | 0.02 | 0 | 0 | 0 | 0 | 0 | | 0.23 | | | | | | | 0.19 | | | | | | | 2 | | | | | | 0 | 14.29 | 1.15 | 1 | 8 | 0 | 1.21 | 0 | 0 | 0 | 0 | 0 | NA | NA | NA | NA | NA | | | 1 | 0 | | | | | | | | | | |
16374 | libgromacs_mpi.so.7.0.0 - pme_redistribute.cpp:340-362 [...] | do_redist_pos_coeffs(gmx_pme_t*, t_commrec const*, bool, gmx::ArrayRef<gmx::BasicVector<float> const>, gmx::ArrayRef<float const>) | Innermost | 0 | 0.11 | 0.11 | 0.11 | 0.06 | 0.09 | 0.06 | | 1.39 | 0.71 | 0.4 | 0.14 | 0.43 | 0.21 | | 1.24 | 0.64 | 0.33 | 0.1 | 0.09 | 0.03 | | 2 | 4 | 8 | 16 | 8 | 16 | 0 | 14.29 | 2.29 | 1 | 7.11 | 0 | 1.12 | 1.11 | 1.21 | 1.4 | 1.19 | 1.5 | NA | NA | NA | NA | NA | | | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
3292 | libgromacs_mpi.so.7.0.0 - localtopology.cpp:505-530 [...] | 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... | Innermost | 0 | 0.01 | 0.01 | 0.02 | 0.01 | 0.02 | 0.02 | | 0.16 | 0.07 | 0.08 | 0.05 | 0.06 | 0.03 | | 0.13 | 0.05 | 0.05 | 0.02 | 0.02 | 0.01 | | 2 | 4 | 8 | 12 | 20 | 34 | 0 | 12.5 | 1 | 1 | 8 | 0 | 1.23 | 1.4 | 1.6 | 1.67 | 3 | 1.5 | NA | NA | NA | NA | NA | | | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
3290 | libgromacs_mpi.so.7.0.0 - ga2la.h:112-114 [...] | 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... | InBetween | 0 | 0.03 | 0.03 | 0.04 | 0.04 | 0.03 | 0.03 | | 0.35 | 0.27 | 0.19 | 0.1 | 0.09 | 0.08 | | 0.29 | 0.15 | 0.11 | 0.06 | 0.03 | 0.02 | | 2 | 4 | 8 | 16 | 22 | 41 | 3.23 | 17.34 | 5.13 | 1.59 | 6.84 | 0 | 1.25 | 1.8 | 1.73 | 1.67 | 2.25 | 2.67 | NA | NA | NA | NA | NA | | | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
16368 | libgromacs_mpi.so.7.0.0 - pme_redistribute.cpp:450-463 [...] | dd_pmeredist_f(gmx_pme_t*, PmeAtomComm*, gmx::ArrayRef<gmx::BasicVector<float> >, bool) | Single | 0 | 0 | 0 | 0 | 0 | 0.08 | 0.09 | | | | | | 0.35 | 0.27 | | | | | | 0.07 | 0.05 | | | | | | 8 | 16 | 0 | 13.98 | 1.8 | 1 | 7.38 | 0 | 0 | 0 | 0 | 0 | 1.17 | 1.42 | NA | NA | NA | NA | NA | | | | | | | | | | | 1 | 0 | 1 | 0 |
1231 | libgromacs_mpi.so.7.0.0 - pme_redistribute.cpp:96-103 | .omp_outlined.#0x7b7828 | Single | 0 | 0.14 | 0.15 | 0.14 | 0.13 | 0.11 | 0.1 | | 1.71 | 0.93 | 0.47 | 0.3 | 0.48 | 0.27 | | 1.57 | 0.84 | 0.4 | 0.21 | 0.1 | 0.06 | | 2 | 4 | 8 | 16 | 8 | 16 | 33.33 | 20.83 | 2.38 | 1 | 7.24 | 0 | 1.09 | 1.11 | 1.17 | 1.43 | 1.17 | 1.23 | NA | NA | NA | NA | NA | | | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
16234 | libgromacs_mpi.so.7.0.0 - pme_grid.cpp:254-256 | gmx_sum_qgrid_dd(gmx_pme_t*, float*, int) | Innermost | 0 | 0.01 | 0.01 | 0.02 | 0.04 | 0.02 | 0.04 | | 0.09 | 0.08 | 0.1 | 0.09 | 0.09 | 0.11 | | 0.08 | 0.06 | 0.07 | 0.07 | 0.02 | 0.02 | | 2 | 4 | 8 | 16 | 8 | 16 | 83.33 | 70.83 | 1.5 | 1.5 | 1.33 | 0 | 1.13 | 1.33 | 1.43 | 1.29 | 1.5 | 1.38 | NA | NA | NA | NA | NA | | | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
16369 | libgromacs_mpi.so.7.0.0 - pme_redistribute.cpp:431-444 [...] | dd_pmeredist_f(gmx_pme_t*, PmeAtomComm*, gmx::ArrayRef<gmx::BasicVector<float> >, bool) | Single | 0 | 0.09 | 0.1 | 0.11 | 0.14 | 0 | 0 | | 1.06 | 0.68 | 0.43 | 0.28 | | | | 0.96 | 0.58 | 0.32 | 0.22 | | | | 2 | 4 | 8 | 16 | | | 10.56 | 19.1 | 1.59 | 1.47 | 6.51 | 0 | 1.1 | 1.17 | 1.34 | 1.27 | 0 | 0 | NA | NA | NA | NA | NA | | | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | | | | |