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 | 67.83 | 67.07 | 65.89 | 64.66 | 61.21 | 52.09 | 48.43 | 1374.98 | 696.58 | 358.51 | 183.51 | 95.3 | 64.53 | 33.63 | 1374.98 | 691.97 | 350.34 | 179.54 | 91.07 | 46.53 | 24.24 | 1 | 2 | 4 | 8 | 16 | 24 | 48 | 0.00 | 0.69 | 1.08 | 1.00 | 1.91 | 2.16 | 2.31 | 0.00 | 6.81 | 5.81 | 2.79 | 2.92 | 1.97 | 1.19 | 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 -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-protector-strong -fstack-clash-protection | 1 | 0 | 0.99 | 0.43 | 0.98 | 1.24 | 0.96 | 2.76 | 0.94 | 3.45 | 0.92 | 3.99 | 0.89 | 5.51 |
○Loop 1332 - kernel_outer.h:590-590 - libgromacs_mpi.so.7.0.0 [...] | 45.76 | 45.16 | 44.04 | 43 | 41.94 | 35.27 | 33.31 | 927.59 | 500.23 | 298.01 | 156.38 | 89.81 | 61.14 | 31.77 | 927.59 | 465.95 | 234.16 | 119.39 | 62.4 | 31.51 | 16.67 | 1 | 2 | 4 | 8 | 16 | 24 | 48 | 0.00 | 4.74 | 8.64 | 8.83 | 12.49 | 13.61 | 14.54 | 0.00 | 48.68 | 46.02 | 24.52 | 18.61 | 12.16 | 7.28 | 1 | 0 | 1 | 0.21 | 0.99 | 0.43 | 0.97 | 1.24 | 0.93 | 2.97 | 0.92 | 2.82 | 0.87 | 4.35 | |||||||||
○Loop 1331 - kernel_outer.h:584-587 - libgromacs_mpi.so.7.0.0 [...] | 1.31 | 1.3 | 1.31 | 1.25 | 1.2 | 1.05 | 0.96 | 26.49 | 14.35 | 8.89 | 4.44 | 2.46 | 1.73 | 0.93 | 26.49 | 13.44 | 6.94 | 3.48 | 1.79 | 0.94 | 0.48 | 1 | 2 | 4 | 8 | 16 | 24 | 48 | 0.00 | 0.13 | 0.26 | 0.25 | 0.26 | 0.31 | 0.36 | 0.00 | 1.29 | 1.39 | 0.70 | 0.39 | 0.28 | 0.18 | 1 | 0 | 0.99 | 0.02 | 0.95 | 0.06 | 0.95 | 0.06 | 0.92 | 0.09 | 0.88 | 0.13 | 0.86 | 0.13 | |||||||||
►Loop 1325 - arm_neon.h:786-30236 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
►Loop 1326 - arm_neon.h:786-30236 - libgromacs_mpi.so.7.0.0 [...] | 0.48 | 0.5 | 0.57 | 0.67 | 0.62 | 0.65 | 0.7 | 9.8 | 5.31 | 3.17 | 2.07 | 1.2 | 1.05 | 0.62 | 9.8 | 5.14 | 3.06 | 1.85 | 0.92 | 0.58 | 0.35 | 1 | 2 | 4 | 8 | 16 | 24 | 48 | 0.00 | 0.02 | 0.02 | 0.06 | 0.09 | 0.13 | 0.13 | 0.00 | 0.24 | 0.08 | 0.16 | 0.13 | 0.12 | 0.06 | 1 | 0 | 0.95 | 0.02 | 0.8 | 0.11 | 0.66 | 0.23 | 0.67 | 0.21 | 0.53 | 0.31 | 0.44 | 0.39 | |||||||||
○Loop 1328 - kernel_outer.h:608-608 - libgromacs_mpi.so.7.0.0 [...] | 17.5 | 17.39 | 17.25 | 17.06 | 14.86 | 12.96 | 11.37 | 354.68 | 208.97 | 126.47 | 71.37 | 39.77 | 30.25 | 20.8 | 354.68 | 179.43 | 91.71 | 47.38 | 22.11 | 11.57 | 5.69 | 1 | 2 | 4 | 8 | 16 | 24 | 48 | 0.00 | 4.05 | 7.77 | 7.91 | 9.19 | 10.23 | 11.03 | 0.00 | 41.86 | 41.27 | 21.94 | 13.63 | 9.11 | 5.50 | 1 | 0 | 0.99 | 0.2 | 0.97 | 0.57 | 0.94 | 1.1 | 1 | 0 | 0.96 | 0.54 | 0.97 | 0.3 | |||||||||
○Loop 1330 - kernel_outer.h:624-624 - libgromacs_mpi.so.7.0.0 [...] | 1.42 | 1.36 | 1.34 | 1.29 | 1.29 | 1.01 | 1.02 | 28.78 | 14.46 | 9.22 | 4.77 | 9.13 | 5.06 | 3.77 | 28.78 | 14.06 | 7.11 | 3.57 | 1.92 | 0.9 | 0.51 | 1 | 2 | 4 | 8 | 8 | 15 | 22 | 0.00 | 0.06 | 0.42 | 0.35 | 2.68 | 2.23 | 2.51 | 0.00 | 0.57 | 2.23 | 0.97 | 3.97 | 1.99 | 1.25 | 1 | 0 | 1.02 | 0 | 1.01 | 0 | 1.01 | 0 | 0.94 | 0.08 | 1 | 0 | 0.88 | 0.12 | |||||||||
○Loop 1327 - kernel_outer.h:602-605 - libgromacs_mpi.so.7.0.0 [...] | 1.1 | 1.09 | 1.08 | 1.08 | 0.97 | 0.84 | 0.74 | 22.38 | 12.85 | 8.13 | 4.5 | 2.72 | 1.93 | 1.51 | 22.38 | 11.21 | 5.77 | 2.99 | 1.44 | 0.75 | 0.37 | 1 | 2 | 4 | 8 | 16 | 24 | 47 | 0.00 | 0.22 | 0.50 | 0.50 | 0.62 | 0.70 | 0.79 | 0.00 | 2.32 | 2.66 | 1.40 | 0.92 | 0.62 | 0.39 | 1 | 0 | 1 | 0 | 0.97 | 0.03 | 0.94 | 0.07 | 0.97 | 0.03 | 0.93 | 0.06 | 0.95 | 0.04 | |||||||||
○Loop 1329 - kernel_outer.h:618-621 - libgromacs_mpi.so.7.0.0 [...] | 0.12 | 0.11 | 0.12 | 0.11 | 0.11 | 0.08 | 0.08 | 2.49 | 1.22 | 0.87 | 0.49 | 0.81 | 0.48 | 0.41 | 2.49 | 1.18 | 0.62 | 0.3 | 0.16 | 0.08 | 0.04 | 1 | 2 | 4 | 8 | 8 | 9 | 17 | 0.00 | 0.00 | 0.05 | 0.05 | 0.22 | 0.16 | 0.20 | 0.00 | 0.05 | 0.24 | 0.14 | 0.33 | 0.14 | 0.10 | 1 | 0 | 1.06 | 0 | 1 | 0 | 1.04 | 0 | 0.97 | 0 | 0.97 | 0 | 0.97 | 0 | |||||||||
►nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const*, nbnxn_atomdata_t const*, interaction_const_t const*, float const (*) [3], nbnxn_atomdata_output_t*) | libgromacs_mpi.so.7.0.0 | 10.17 | 10.07 | 9.88 | 9.69 | 9.13 | 7.79 | 7.21 | 206.07 | 104.32 | 53.27 | 27.29 | 14.03 | 9.62 | 5.02 | 206.07 | 103.85 | 52.55 | 26.91 | 13.58 | 6.96 | 3.61 | 1 | 2 | 4 | 8 | 16 | 24 | 48 | 0.00 | 0.07 | 0.10 | 0.10 | 0.25 | 0.30 | 0.32 | 0.00 | 0.72 | 0.52 | 0.27 | 0.38 | 0.28 | 0.17 | 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 -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-protector-strong -fstack-clash-protection | 1 | 0 | 0.99 | 0.08 | 0.98 | 0.19 | 0.96 | 0.41 | 0.95 | 0.47 | 0.93 | 0.58 | 0.89 | 0.78 |
○Loop 1338 - kernel_outer.h:590-590 - libgromacs_mpi.so.7.0.0 [...] | 6.79 | 6.69 | 6.56 | 6.37 | 6.16 | 5.24 | 4.94 | 137.6 | 74.29 | 44.71 | 23.14 | 13.22 | 9.09 | 4.79 | 137.6 | 69.01 | 34.86 | 17.69 | 9.17 | 4.68 | 2.47 | 1 | 2 | 4 | 8 | 16 | 24 | 48 | 0.00 | 0.73 | 1.34 | 1.31 | 1.82 | 2.02 | 2.15 | 0.00 | 7.50 | 7.14 | 3.64 | 2.71 | 1.80 | 1.08 | 1 | 0 | 1 | 0.02 | 0.99 | 0.09 | 0.97 | 0.18 | 0.94 | 0.38 | 0.92 | 0.43 | 0.87 | 0.64 | |||||||||
○Loop 1337 - kernel_outer.h:584-587 - libgromacs_mpi.so.7.0.0 [...] | 0.2 | 0.19 | 0.2 | 0.19 | 0.2 | 0.15 | 0.15 | 4.05 | 2.14 | 1.27 | 0.69 | 0.47 | 0.28 | 0.18 | 4.05 | 2.01 | 1.08 | 0.53 | 0.3 | 0.14 | 0.07 | 1 | 2 | 4 | 8 | 16 | 24 | 48 | 0.00 | 0.02 | 0.03 | 0.04 | 0.06 | 0.05 | 0.07 | 0.00 | 0.20 | 0.16 | 0.10 | 0.09 | 0.05 | 0.04 | 1 | 0 | 1.01 | 0 | 0.94 | 0.01 | 0.96 | 0.01 | 0.84 | 0.03 | 0.9 | 0.01 | 0.9 | 0.01 | |||||||||
○Loop 1340 - kernel_outer.h:624-624 - libgromacs_mpi.so.7.0.0 [...] | 0.18 | 0.17 | 0.16 | 0.17 | 0.17 | 0.12 | 0.13 | 3.62 | 1.87 | 1.06 | 0.67 | 1.27 | 0.63 | 0.55 | 3.62 | 1.71 | 0.85 | 0.46 | 0.26 | 0.11 | 0.07 | 1 | 2 | 4 | 8 | 8 | 8 | 16 | 0.00 | 0.02 | 0.04 | 0.06 | 0.37 | 0.16 | 0.27 | 0.00 | 0.22 | 0.22 | 0.16 | 0.54 | 0.14 | 0.13 | 1 | 0 | 1.06 | 0 | 1.06 | 0 | 0.98 | 0 | 0.87 | 0.02 | 1.03 | 0 | 0.81 | 0.02 | |||||||||
○Loop 1339 - kernel_outer.h:618-621 - libgromacs_mpi.so.7.0.0 [...] | 0.02 | 0.02 | 0.02 | 0.01 | 0.01 | 0.01 | 0.01 | 0.34 | 0.2 | 0.12 | 0.06 | 0.11 | 0.05 | 0.07 | 0.34 | 0.18 | 0.09 | 0.04 | 0.02 | 0.01 | 0.01 | 1 | 2 | 4 | 8 | 5 | 8 | 15 | 0.00 | 0.00 | 0.01 | 0.01 | 0.03 | 0.01 | 0.03 | 0.00 | 0.04 | 0.03 | 0.01 | 0.04 | 0.01 | 0.02 | 1 | 0 | 0.94 | 0 | 0.94 | 0 | 1.06 | 0 | 1.06 | 0 | 1.06 | 0 | 0.53 | 0 | |||||||||
►Loop 1333 - arm_neon.h:786-30236 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
►Loop 1334 - arm_neon.h:786-30236 - libgromacs_mpi.so.7.0.0 [...] | 0.07 | 0.07 | 0.08 | 0.09 | 0.09 | 0.09 | 0.09 | 1.35 | 0.79 | 0.48 | 0.31 | 0.17 | 0.13 | 0.1 | 1.35 | 0.77 | 0.42 | 0.24 | 0.13 | 0.08 | 0.05 | 1 | 2 | 4 | 8 | 16 | 24 | 48 | 0.00 | 0.00 | 0.01 | 0.01 | 0.02 | 0.02 | 0.03 | 0.00 | 0.03 | 0.07 | 0.03 | 0.02 | 0.02 | 0.02 | 1 | 0 | 0.88 | 0.01 | 0.8 | 0.02 | 0.7 | 0.03 | 0.65 | 0.03 | 0.53 | 0.04 | 0.42 | 0.05 | |||||||||
○Loop 1336 - kernel_outer.h:608-608 - libgromacs_mpi.so.7.0.0 [...] | 2.7 | 2.72 | 2.65 | 2.63 | 2.29 | 2.01 | 1.74 | 54.8 | 32.79 | 19.76 | 10.85 | 6.15 | 4.72 | 3.1 | 54.8 | 28.01 | 14.1 | 7.3 | 3.41 | 1.79 | 0.87 | 1 | 2 | 4 | 8 | 16 | 24 | 48 | 0.00 | 0.65 | 1.22 | 1.21 | 1.41 | 1.61 | 1.70 | 0.00 | 6.77 | 6.50 | 3.35 | 2.09 | 1.44 | 0.85 | 1 | 0 | 0.98 | 0.06 | 0.97 | 0.08 | 0.94 | 0.16 | 1 | 0 | 0.96 | 0.09 | 0.98 | 0.03 | |||||||||
○Loop 1335 - kernel_outer.h:602-605 - libgromacs_mpi.so.7.0.0 [...] | 0.19 | 0.19 | 0.19 | 0.21 | 0.17 | 0.15 | 0.13 | 3.9 | 2.27 | 1.4 | 0.89 | 0.5 | 0.36 | 0.31 | 3.9 | 1.96 | 1.03 | 0.58 | 0.25 | 0.13 | 0.06 | 1 | 2 | 4 | 8 | 16 | 22 | 44 | 0.00 | 0.04 | 0.09 | 0.10 | 0.11 | 0.12 | 0.14 | 0.00 | 0.44 | 0.46 | 0.29 | 0.16 | 0.11 | 0.07 | 1 | 0 | 0.99 | 0 | 0.95 | 0.01 | 0.84 | 0.03 | 0.97 | 0 | 0.94 | 0.01 | 1.02 | 0 | |||||||||
○Unknown function | anon | 3.58 | 3.47 | 3.38 | 3.25 | 3.07 | 2.52 | 2.29 | 72.48 | 36.02 | 18.25 | 9.25 | 4.81 | 9.13 | 4.85 | 72.48 | 35.82 | 17.97 | 9.02 | 4.56 | 2.25 | 1.14 | 1 | 2 | 4 | 8 | 16 | 8 | 16 | 0.00 | 0.03 | 0.07 | 0.07 | 0.09 | 0.14 | 0.29 | 0.00 | 0.30 | 0.36 | 0.19 | 0.13 | 0.13 | 0.14 | Math (%): 100.00 Others (%): 0.00 | 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 | 1.01 | 0 | 1.01 | 0 | 1 | 0 | 0.99 | 0.02 | 1.01 | 0 | 0.99 | 0.02 | |
►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 | 2.5 | 2.48 | 2.38 | 2.3 | 2.18 | 1.76 | 1.61 | 50.74 | 26.35 | 13.84 | 6.91 | 3.5 | 6.69 | 3.46 | 50.74 | 25.55 | 12.67 | 6.38 | 3.24 | 1.58 | 0.8 | 1 | 2 | 4 | 8 | 16 | 8 | 16 | 0.00 | 0.11 | 0.21 | 0.15 | 0.15 | 0.37 | 0.40 | 0.00 | 1.14 | 1.10 | 0.42 | 0.22 | 0.32 | 0.20 | 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 -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-protector-strong -fstack-clash-protection | 1 | 0 | 0.99 | 0.02 | 1 | 0 | 0.99 | 0.01 | 0.98 | 0.05 | 1 | 0 | 0.99 | 0.01 |
►Loop 19868 - pme_spread.cpp:277-292 - libgromacs_mpi.so.7.0.0 [...] | 1.24 | 1.24 | 1.22 | 1.16 | 1.1 | 0.91 | 0.82 | 25.23 | 13.08 | 7.11 | 3.69 | 1.82 | 3.41 | 1.81 | 25.23 | 12.79 | 6.5 | 3.23 | 1.63 | 0.81 | 0.41 | 1 | 2 | 4 | 8 | 16 | 8 | 16 | 0.00 | 0.04 | 0.12 | 0.11 | 0.10 | 0.21 | 0.31 | 0.00 | 0.40 | 0.64 | 0.30 | 0.15 | 0.18 | 0.15 | 1 | 0 | 0.99 | 0.02 | 0.97 | 0.04 | 0.98 | 0.03 | 0.97 | 0.04 | 0.97 | 0.02 | 0.96 | 0.03 | |||||||||
►Loop 19870 - 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 19871 - 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 19869 - 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 19865 - 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 19864 - 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 19866 - 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 19867 - 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 19854 - pme_spread.cpp:186-988 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0.01 | 0.01 | 0 | 0.01 | 0 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 0 | 2 | 4 | 3 | 6 | 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 19855 - pme_spread.cpp:358-400 - libgromacs_mpi.so.7.0.0 [...] | 1.26 | 1.24 | 1.16 | 1.13 | 1.08 | 0.86 | 0.79 | 25.5 | 13.27 | 6.85 | 3.42 | 1.76 | 3.28 | 1.7 | 25.5 | 12.75 | 6.17 | 3.15 | 1.6 | 0.77 | 0.39 | 1 | 2 | 4 | 8 | 16 | 8 | 16 | 0.00 | 0.07 | 0.10 | 0.07 | 0.07 | 0.20 | 0.23 | 0.00 | 0.74 | 0.52 | 0.18 | 0.10 | 0.17 | 0.11 | 1 | 0 | 1 | 0 | 1.03 | 0 | 1.01 | 0 | 1 | 0 | 1.03 | 0 | 1.02 | 0 | |||||||||
○Loop 19856 - 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 19858 - 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 19857 - 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 19859 - 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 19860 - 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 19861 - pme_spread.cpp:188-981 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 19862 - 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 19863 - 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 | |||||||||||||||||||||||
►fft5d_execute(fft5d_plan_t*, int, gmx_wallcycle*) | libgromacs_mpi.so.7.0.0 | 2.31 | 1.74 | 1.36 | 1.27 | 1.15 | 0.99 | 0.88 | 46.73 | 17.95 | 7.56 | 3.82 | 1.83 | 3.61 | 1.86 | 46.73 | 17.93 | 7.25 | 3.53 | 1.72 | 0.88 | 0.44 | 1 | 2 | 4 | 8 | 16 | 8 | 16 | 0.00 | 0.00 | 0.05 | 0.07 | 0.05 | 0.11 | 0.19 | 0.00 | 0.04 | 0.27 | 0.20 | 0.08 | 0.10 | 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 -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-protector-strong -fstack-clash-protection | 1 | 0 | 1.3 | 0 | 1.61 | 0 | 1.65 | 0 | 1.7 | 0 | 1.66 | 0 | 1.66 | 0 |
►Loop 19937 - fft5d.cpp:789-1458 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0.01 | 0.01 | 0 | 0.01 | 0.03 | 0.02 | 0.03 | 0.06 | 0.03 | 0.03 | 0.03 | 0.03 | 0.01 | 0.03 | 0.03 | 0.02 | 0 | 0 | 1 | 2 | 4 | 8 | 16 | 8 | 14 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.01 | 0.02 | 0.00 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 1 | 0 | 1.5 | 0 | 0.25 | 0 | 0.13 | 0.01 | 0.09 | 0.01 | 1 | 0 | 1 | 0 | |||||||||
►Loop 19942 - fft5d.cpp:918-949 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0.01 | 0 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.02 | 0 | 0.01 | 0 | 0 | 0 | 1 | 2 | 2 | 6 | 7 | 4 | 2 | 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 19943 - fft5d.cpp:939-949 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0 | 0 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 2 | 4 | 5 | 6 | 8 | 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 19945 - fft5d.cpp:943-949 - libgromacs_mpi.so.7.0.0 | 0.01 | 0 | 0 | 0.01 | 0.01 | 0.01 | 0 | 0.12 | 0.05 | 0.03 | 0.03 | 0.01 | 0.03 | 0.02 | 0.13 | 0.05 | 0.03 | 0.02 | 0.01 | 0.01 | 0 | 1 | 2 | 4 | 8 | 13 | 8 | 11 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.01 | 0.00 | 0.01 | 0.00 | 0.01 | 0.00 | 1 | 0 | 1.3 | 0 | 1.08 | 0 | 0.81 | 0 | 0.81 | 0 | 0.41 | 0.01 | 1 | 0 | |||||||||
○Loop 19944 - fft5d.cpp:947-949 - libgromacs_mpi.so.7.0.0 | 0.35 | 0.34 | 0.33 | 0.3 | 0.26 | 0.25 | 0.19 | 7.04 | 3.63 | 1.84 | 0.94 | 0.45 | 0.97 | 0.47 | 7.04 | 3.52 | 1.73 | 0.84 | 0.38 | 0.22 | 0.1 | 1 | 2 | 4 | 8 | 16 | 8 | 16 | 0.00 | 0.02 | 0.03 | 0.02 | 0.03 | 0.05 | 0.08 | 0.00 | 0.16 | 0.14 | 0.06 | 0.04 | 0.05 | 0.04 | 1 | 0 | 1 | 0 | 1.02 | 0 | 1.05 | 0 | 1.16 | 0 | 1 | 0 | 1.1 | 0 | |||||||||
►Loop 19938 - fft5d.cpp:789-820 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0.01 | 0.01 | 0.01 | 0 | 0.01 | 0 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 0 | 2 | 2 | 5 | 6 | 1 | 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 19939 - 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 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 1 | 3 | 5 | 8 | 5 | 12 | 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 19940 - fft5d.cpp:814-820 - libgromacs_mpi.so.7.0.0 | 0 | 0.02 | 0.09 | 0.07 | 0.21 | 0.06 | 0.16 | 0 | 0.22 | 0.51 | 0.27 | 0.37 | 0.27 | 0.38 | 0 | 0.22 | 0.48 | 0.2 | 0.31 | 0.05 | 0.08 | 0 | 2 | 4 | 8 | 16 | 8 | 16 | 0.00 | 0.00 | 0.00 | 0.02 | 0.03 | 0.05 | 0.08 | 0.00 | 0.01 | 0.03 | 0.05 | 0.04 | 0.04 | 0.04 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | |||||||||
○Loop 19941 - fft5d.cpp:818-820 - libgromacs_mpi.so.7.0.0 | 0 | 0.24 | 0.14 | 0.14 | 0 | 0.1 | 0 | 0 | 2.57 | 0.8 | 0.45 | 0 | 0.39 | 0 | 0 | 2.48 | 0.76 | 0.38 | 0 | 0.09 | 0 | 0 | 2 | 4 | 8 | 0 | 8 | 0 | 0.00 | 0.01 | 0.01 | 0.02 | 0.00 | 0.03 | 0.00 | 0.00 | 0.12 | 0.03 | 0.05 | 0.00 | 0.03 | 0.00 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | |||||||||
►Loop 19946 - fft5d.cpp:854-886 - libgromacs_mpi.so.7.0.0 [...] | 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 | 0 | 0 | 0 | 1 | 2 | 2 | 2 | 2 | 2 | 1 | 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 | |||||||||||||||||||||||
►Loop 19947 - fft5d.cpp:876-886 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0.02 | 0.01 | 0.02 | 0.01 | 0.01 | 0 | 0.01 | 0.01 | 0 | 0.01 | 0 | 0 | 0 | 1 | 3 | 5 | 11 | 8 | 10 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.01 | 0.00 | 0.01 | 0.00 | 0.00 | |||||||||||||||||||||||
►Loop 19949 - fft5d.cpp:880-886 - libgromacs_mpi.so.7.0.0 | 0.03 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.54 | 0.18 | 0.11 | 0.05 | 0.04 | 0.05 | 0.04 | 0.54 | 0.15 | 0.07 | 0.04 | 0.02 | 0.01 | 0 | 1 | 2 | 4 | 8 | 15 | 8 | 14 | 0.00 | 0.00 | 0.01 | 0.01 | 0.01 | 0.01 | 0.02 | 0.00 | 0.04 | 0.03 | 0.02 | 0.01 | 0.01 | 0.01 | 1 | 0 | 1.8 | 0 | 1.93 | 0 | 1.69 | 0 | 1.69 | 0 | 1.69 | 0 | 1 | 0 | |||||||||
○Loop 19948 - fft5d.cpp:884-886 - libgromacs_mpi.so.7.0.0 | 1.92 | 1.11 | 0.77 | 0.72 | 0.65 | 0.55 | 0.49 | 38.96 | 11.51 | 4.31 | 2.16 | 1.06 | 2.1 | 1.13 | 38.96 | 11.44 | 4.11 | 2 | 0.96 | 0.49 | 0.24 | 1 | 2 | 4 | 8 | 16 | 8 | 16 | 0.00 | 0.01 | 0.04 | 0.05 | 0.04 | 0.13 | 0.18 | 0.00 | 0.11 | 0.20 | 0.13 | 0.05 | 0.11 | 0.09 | 1 | 0 | 1.7 | 0 | 2.37 | 0 | 2.44 | 0 | 2.54 | 0 | 2.48 | 0 | 2.54 | 0 | |||||||||
►gather_f_bsplines(gmx_pme_t const*, float const*, bool, PmeAtomComm const*, splinedata_t const*, float) | libgromacs_mpi.so.7.0.0 | 1.9 | 1.87 | 1.79 | 1.73 | 1.58 | 1.36 | 1.21 | 38.52 | 19.71 | 10.65 | 5.14 | 2.66 | 5.27 | 2.65 | 38.52 | 19.33 | 9.52 | 4.81 | 2.35 | 1.21 | 0.61 | 1 | 2 | 4 | 8 | 16 | 8 | 16 | 0.00 | 0.05 | 0.16 | 0.10 | 0.11 | 0.35 | 0.30 | 0.00 | 0.55 | 0.83 | 0.26 | 0.16 | 0.31 | 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 -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-protector-strong -fstack-clash-protection | 1 | 0 | 1 | 0.01 | 1.01 | 0 | 1 | 0 | 1.02 | 0 | 0.99 | 0.01 | 0.99 | 0.02 |
►Loop 19603 - 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 | 1 | 0 | 1 | 1 | 0 | 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 19599 - pme_gather.cpp:81-348 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
►Loop 19598 - vectypes.h:102-102 - libgromacs_mpi.so.7.0.0 [...] | 1.65 | 1.59 | 1.51 | 1.47 | 1.35 | 1.15 | 1.02 | 33.36 | 16.91 | 9.02 | 4.31 | 2.28 | 4.49 | 2.24 | 33.36 | 16.45 | 8.04 | 4.09 | 2.01 | 1.03 | 0.51 | 1 | 2 | 4 | 8 | 16 | 8 | 16 | 0.00 | 0.06 | 0.14 | 0.07 | 0.11 | 0.32 | 0.25 | 0.00 | 0.66 | 0.72 | 0.19 | 0.16 | 0.28 | 0.13 | 1 | 0 | 1.01 | 0 | 1.04 | 0 | 1.02 | 0 | 1.04 | 0 | 1.01 | 0 | 1.02 | 0 | |||||||||
○Loop 19597 - pme_gather.cpp:323-334 - libgromacs_mpi.so.7.0.0 | 0.25 | 0.28 | 0.28 | 0.26 | 0.23 | 0.21 | 0.19 | 5.15 | 2.95 | 1.64 | 0.87 | 0.44 | 0.82 | 0.47 | 5.15 | 2.87 | 1.48 | 0.71 | 0.34 | 0.19 | 0.1 | 1 | 2 | 4 | 8 | 16 | 8 | 16 | 0.00 | 0.01 | 0.04 | 0.04 | 0.03 | 0.06 | 0.11 | 0.00 | 0.11 | 0.20 | 0.11 | 0.04 | 0.06 | 0.05 | 1 | 0 | 0.9 | 0.03 | 0.87 | 0.04 | 0.91 | 0.02 | 0.95 | 0.01 | 0.85 | 0.03 | 0.8 | 0.04 | |||||||||
►Loop 19602 - 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 19601 - 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 19600 - 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 19604 - 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 | |||||||||||||||||||||||
►nbnxn_kernel_prune_4xn(NbnxnPairlistCpu*, nbnxn_atomdata_t const*, gmx::ArrayRef<gmx::BasicVector<float> const>, float) | libgromacs_mpi.so.7.0.0 | 1.74 | 1.73 | 1.71 | 1.68 | 1.55 | 1.43 | 1.26 | 35.24 | 17.95 | 9.42 | 4.97 | 2.47 | 1.82 | 0.94 | 35.24 | 17.86 | 9.07 | 4.66 | 2.31 | 1.28 | 0.63 | 1 | 2 | 4 | 8 | 16 | 24 | 48 | 0.00 | 0.02 | 0.05 | 0.07 | 0.06 | 0.10 | 0.10 | 0.00 | 0.15 | 0.26 | 0.19 | 0.09 | 0.09 | 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 -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-protector-strong -fstack-clash-protection | 1 | 0 | 0.99 | 0.02 | 0.97 | 0.05 | 0.95 | 0.09 | 0.95 | 0.07 | 0.86 | 0.2 | 0.87 | 0.16 |
►Loop 1889 - 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 | 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 1890 - kernel_prune.cpp:76-181 - libgromacs_mpi.so.7.0.0 [...] | 0.03 | 0.03 | 0.04 | 0.04 | 0.05 | 0.05 | 0.05 | 0.52 | 0.31 | 0.22 | 0.14 | 0.09 | 0.1 | 0.07 | 0.52 | 0.28 | 0.19 | 0.12 | 0.07 | 0.05 | 0.03 | 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 | 0.03 | 0.01 | 0.01 | 0.02 | 0.01 | 1 | 0 | 0.93 | 0 | 0.68 | 0.01 | 0.54 | 0.02 | 0.46 | 0.03 | 0.33 | 0.03 | 0.27 | 0.04 | |||||||||
○Loop 1891 - kernel_prune.cpp:115-181 - libgromacs_mpi.so.7.0.0 [...] | 1.71 | 1.7 | 1.67 | 1.64 | 1.51 | 1.37 | 1.21 | 34.72 | 17.7 | 9.24 | 4.86 | 2.39 | 1.75 | 0.89 | 34.72 | 17.57 | 8.88 | 4.54 | 2.24 | 1.23 | 0.6 | 1 | 2 | 4 | 8 | 16 | 24 | 48 | 0.00 | 0.02 | 0.05 | 0.07 | 0.06 | 0.11 | 0.09 | 0.00 | 0.19 | 0.27 | 0.19 | 0.09 | 0.09 | 0.05 | 1 | 0 | 0.99 | 0.02 | 0.98 | 0.04 | 0.96 | 0.07 | 0.97 | 0.05 | 0.88 | 0.16 | 0.9 | 0.12 | |||||||||
►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 | 1.24 | 1.27 | 1.28 | 1.33 | 1.4 | 1.27 | 1.14 | 25.17 | 13.15 | 6.89 | 3.75 | 2.2 | 1.59 | 0.83 | 25.17 | 13.11 | 6.83 | 3.68 | 2.08 | 1.13 | 0.57 | 1 | 2 | 4 | 8 | 16 | 24 | 48 | 0.00 | 0.01 | 0.01 | 0.01 | 0.05 | 0.07 | 0.07 | 0.00 | 0.06 | 0.06 | 0.04 | 0.07 | 0.07 | 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 -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-protector-strong -fstack-clash-protection | 1 | 0 | 0.96 | 0.05 | 0.92 | 0.1 | 0.85 | 0.19 | 0.76 | 0.34 | 0.7 | 0.39 | 0.69 | 0.35 |
►Loop 3052 - pairlist.cpp:607-1332 - libgromacs_mpi.so.7.0.0 [...] | 0.01 | 0.01 | 0.01 | 0.01 | 0 | 0 | 0 | 0.18 | 0.09 | 0.05 | 0.03 | 0.01 | 0.02 | 0.01 | 0.18 | 0.08 | 0.04 | 0.02 | 0 | 0 | 0 | 1 | 2 | 4 | 8 | 9 | 14 | 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 | 1.13 | 0 | 1.13 | 0 | 1.13 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | |||||||||
○Loop 3051 - arrayref.h:82-82 - libgromacs_mpi.so.7.0.0 [...] | 0.01 | 0.02 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.26 | 0.19 | 0.1 | 0.07 | 0.03 | 0.05 | 0.02 | 0.26 | 0.17 | 0.07 | 0.04 | 0.01 | 0.01 | 0 | 1 | 2 | 4 | 8 | 15 | 23 | 29 | 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 | 0.00 | 1 | 0 | 0.76 | 0 | 0.93 | 0 | 0.81 | 0 | 1.63 | 0 | 0.81 | 0 | 1 | 0 | |||||||||
○Loop 3036 - 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 3066 - 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 3071 - 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 3067 - 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 3075 - 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 3074 - 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 3041 - pairlist.cpp:184-4014 - 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 3040 - pairsearch.h:79-84 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 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 3039 - 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 3037 - pairlist.cpp:184-3518 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
►Loop 3038 - pairlist.cpp:184-3518 - libgromacs_mpi.so.7.0.0 [...] | 0 | 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 3042 - pairlist.cpp:184-3514 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0.01 | 0.01 | 0 | 0.04 | 0.04 | 0.03 | 0.02 | 0.02 | 0.02 | 0.01 | 0.04 | 0.04 | 0.02 | 0.01 | 0.02 | 0.01 | 0 | 1 | 2 | 4 | 7 | 15 | 18 | 25 | 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 | 0.5 | 0 | 0.5 | 0 | 0.5 | 0 | 0.13 | 0.01 | 0.13 | 0.01 | 1 | 0 | |||||||||
►Loop 3043 - pairlist.cpp:211-3490 - libgromacs_mpi.so.7.0.0 [...] | 0.01 | 0.01 | 0.01 | 0.02 | 0.01 | 0.01 | 0.01 | 0.14 | 0.14 | 0.08 | 0.06 | 0.03 | 0.03 | 0.01 | 0.14 | 0.12 | 0.06 | 0.04 | 0.02 | 0.01 | 0 | 1 | 2 | 4 | 8 | 16 | 23 | 34 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.04 | 0.02 | 0.01 | 0.01 | 0.01 | 0.00 | 1 | 0 | 0.58 | 0 | 0.58 | 0 | 0.44 | 0.01 | 0.44 | 0.01 | 0.44 | 0.01 | 1 | 0 | |||||||||
►Loop 3044 - pairlist.cpp:211-3490 - libgromacs_mpi.so.7.0.0 [...] | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.1 | 0.1 | 0.04 | 0.02 | 0.02 | 0.04 | 0.02 | 0.1 | 0.08 | 0.04 | 0.02 | 0.02 | 0.01 | 0 | 1 | 2 | 4 | 8 | 16 | 21 | 32 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.02 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 1 | 0 | 0.63 | 0 | 0.63 | 0 | 0.63 | 0 | 0.31 | 0.01 | 0.31 | 0.01 | 1 | 0 | |||||||||
►Loop 3045 - stl_vector.h:919-1798 - libgromacs_mpi.so.7.0.0 [...] | 0.03 | 0.03 | 0.03 | 0.03 | 0.04 | 0.04 | 0.04 | 0.63 | 0.3 | 0.2 | 0.12 | 0.08 | 0.08 | 0.05 | 0.63 | 0.3 | 0.17 | 0.1 | 0.07 | 0.03 | 0.02 | 1 | 2 | 4 | 8 | 16 | 24 | 48 | 0.00 | 0.00 | 0.01 | 0.01 | 0.01 | 0.01 | 0.02 | 0.00 | 0.01 | 0.04 | 0.03 | 0.01 | 0.01 | 0.01 | 1 | 0 | 1.05 | 0 | 0.93 | 0 | 0.79 | 0.01 | 0.56 | 0.02 | 0.66 | 0.01 | 0.49 | 0.02 | |||||||||
○Loop 3046 - pairlist.cpp:1981-1985 - libgromacs_mpi.so.7.0.0 | 0.02 | 0.01 | 0.01 | 0.01 | 0.02 | 0.01 | 0.01 | 0.33 | 0.17 | 0.1 | 0.08 | 0.04 | 0.03 | 0.02 | 0.33 | 0.13 | 0.07 | 0.03 | 0.02 | 0.01 | 0.01 | 1 | 2 | 4 | 8 | 14 | 22 | 39 | 0.00 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.07 | 0.03 | 0.02 | 0.01 | 0.01 | 0.00 | 1 | 0 | 1.27 | 0 | 1.18 | 0 | 1.38 | 0 | 1.03 | 0 | 1.03 | 0 | 0.52 | 0 | |||||||||
○Loop 3047 - pairlist.cpp:1991-1995 - libgromacs_mpi.so.7.0.0 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.28 | 0.12 | 0.08 | 0.04 | 0.02 | 0.03 | 0.01 | 0.28 | 0.12 | 0.06 | 0.02 | 0.01 | 0.01 | 0 | 1 | 2 | 4 | 7 | 16 | 21 | 29 | 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 | 1.17 | 0 | 1.17 | 0 | 1.75 | 0 | 1.75 | 0 | 0.88 | 0 | 1 | 0 | |||||||||
►Loop 3049 - pairlist.cpp:1305-1420 - libgromacs_mpi.so.7.0.0 [...] | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.22 | 0.13 | 0.06 | 0.04 | 0.03 | 0.03 | 0.03 | 0.22 | 0.12 | 0.05 | 0.04 | 0.01 | 0.01 | 0.01 | 1 | 2 | 4 | 8 | 16 | 23 | 39 | 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 | 1 | 0 | 0.92 | 0 | 1.1 | 0 | 0.69 | 0 | 1.38 | 0 | 0.69 | 0 | 0.34 | 0.01 | |||||||||
○Loop 3050 - pairlist.cpp:1305-1420 - libgromacs_mpi.so.7.0.0 [...] | 0.04 | 0.04 | 0.05 | 0.05 | 0.04 | 0.03 | 0.03 | 0.84 | 0.47 | 0.32 | 0.18 | 0.13 | 0.07 | 0.05 | 0.84 | 0.44 | 0.26 | 0.13 | 0.05 | 0.03 | 0.02 | 1 | 2 | 4 | 8 | 16 | 24 | 46 | 0.00 | 0.00 | 0.01 | 0.01 | 0.02 | 0.02 | 0.02 | 0.00 | 0.05 | 0.07 | 0.03 | 0.03 | 0.02 | 0.01 | 1 | 0 | 0.95 | 0 | 0.81 | 0.01 | 0.81 | 0.01 | 1.05 | 0 | 0.88 | 0 | 0.66 | 0.01 | |||||||||
○Loop 3048 - pairlist.cpp:1998-2000 - libgromacs_mpi.so.7.0.0 | 0.01 | 0.01 | 0.01 | 0.01 | 0 | 0 | 0 | 0.12 | 0.12 | 0.04 | 0.03 | 0.02 | 0.01 | 0.01 | 0.12 | 0.1 | 0.04 | 0.02 | 0.01 | 0 | 0 | 1 | 2 | 4 | 8 | 12 | 12 | 17 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.04 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 1 | 0 | 0.6 | 0 | 0.75 | 0 | 0.75 | 0 | 0.75 | 0 | 1 | 0 | 1 | 0 | |||||||||
►Loop 3055 - pairlist.cpp:211-3472 - libgromacs_mpi.so.7.0.0 [...] | 0.01 | 0.01 | 0.01 | 0.01 | 0.03 | 0.02 | 0.02 | 0.21 | 0.11 | 0.06 | 0.04 | 0.08 | 0.06 | 0.03 | 0.21 | 0.1 | 0.05 | 0.03 | 0.04 | 0.02 | 0.01 | 1 | 2 | 4 | 8 | 16 | 24 | 44 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.02 | 0.00 | 0.02 | 0.01 | 0.01 | 0.02 | 0.01 | 0.01 | 1 | 0 | 1.05 | 0 | 1.05 | 0 | 0.88 | 0 | 0.33 | 0.02 | 0.33 | 0.01 | 0.33 | 0.01 | |||||||||
►Loop 3054 - pairlist_simd_4xm.h:135-277 - libgromacs_mpi.so.7.0.0 [...] | 0.35 | 0.36 | 0.4 | 0.41 | 0.56 | 0.53 | 0.49 | 7.14 | 4.07 | 2.15 | 1.24 | 1.09 | 0.76 | 0.42 | 7.14 | 3.76 | 2.11 | 1.15 | 0.84 | 0.47 | 0.25 | 1 | 2 | 4 | 8 | 16 | 24 | 48 | 0.00 | 0.04 | 0.01 | 0.03 | 0.07 | 0.07 | 0.08 | 0.00 | 0.43 | 0.04 | 0.08 | 0.11 | 0.06 | 0.04 | 1 | 0 | 0.95 | 0.02 | 0.85 | 0.06 | 0.78 | 0.09 | 0.53 | 0.26 | 0.47 | 0.28 | 0.45 | 0.27 | |||||||||
○Loop 3061 - pairlist_simd_4xm.h:136-195 - libgromacs_mpi.so.7.0.0 [...] | 0.3 | 0.29 | 0.29 | 0.31 | 0.27 | 0.24 | 0.23 | 6.03 | 3.16 | 1.63 | 0.92 | 0.47 | 0.39 | 0.22 | 6.03 | 3.01 | 1.54 | 0.87 | 0.4 | 0.21 | 0.11 | 1 | 2 | 4 | 8 | 16 | 24 | 48 | 0.00 | 0.02 | 0.02 | 0.01 | 0.03 | 0.05 | 0.05 | 0.00 | 0.21 | 0.09 | 0.04 | 0.05 | 0.04 | 0.02 | 1 | 0 | 1 | 0 | 0.98 | 0.01 | 0.87 | 0.04 | 0.94 | 0.02 | 0.9 | 0.02 | 0.86 | 0.03 | |||||||||
○Loop 3062 - pairlist.cpp:3408-3409 - libgromacs_mpi.so.7.0.0 | 0.12 | 0.13 | 0.11 | 0.11 | 0.01 | 0.02 | 0 | 2.44 | 1.38 | 0.69 | 0.34 | 0.13 | 0.08 | 0.03 | 2.44 | 1.33 | 0.6 | 0.29 | 0.02 | 0.01 | 0 | 1 | 2 | 4 | 8 | 4 | 8 | 9 | 0.00 | 0.01 | 0.01 | 0.01 | 0.02 | 0.02 | 0.02 | 0.00 | 0.08 | 0.07 | 0.04 | 0.04 | 0.02 | 0.01 | 1 | 0 | 0.92 | 0.01 | 1.02 | 0 | 1.05 | 0 | 7.63 | 0 | 7.63 | 0 | 1 | 0 | |||||||||
○Loop 3059 - pairlist_simd_4xm.h:204-262 - libgromacs_mpi.so.7.0.0 [...] | 0.11 | 0.12 | 0.11 | 0.12 | 0.14 | 0.13 | 0.11 | 2.16 | 1.26 | 0.65 | 0.4 | 0.29 | 0.2 | 0.11 | 2.16 | 1.2 | 0.61 | 0.33 | 0.21 | 0.11 | 0.05 | 1 | 2 | 4 | 8 | 16 | 24 | 48 | 0.00 | 0.01 | 0.01 | 0.02 | 0.03 | 0.04 | 0.04 | 0.00 | 0.09 | 0.04 | 0.05 | 0.04 | 0.03 | 0.02 | 1 | 0 | 0.9 | 0.01 | 0.89 | 0.01 | 0.82 | 0.02 | 0.64 | 0.05 | 0.61 | 0.05 | 0.68 | 0.04 | |||||||||
○Loop 3057 - stl_vector.h:919-1198 - libgromacs_mpi.so.7.0.0 [...] | 0.08 | 0.07 | 0.07 | 0.06 | 0.05 | 0.04 | 0.03 | 1.72 | 0.7 | 0.43 | 0.21 | 0.1 | 0.07 | 0.05 | 1.72 | 0.69 | 0.38 | 0.18 | 0.08 | 0.04 | 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 | 0.02 | 0.05 | 0.03 | 0.01 | 0.01 | 0.01 | 1 | 0 | 1.25 | 0 | 1.13 | 0 | 1.19 | 0 | 1.34 | 0 | 1.34 | 0 | 1.34 | 0 | |||||||||
○Loop 3060 - pairlist_simd_4xm.h:136-146 - libgromacs_mpi.so.7.0.0 [...] | 0.07 | 0.08 | 0.08 | 0.08 | 0.08 | 0.07 | 0.07 | 1.5 | 0.86 | 0.43 | 0.24 | 0.17 | 0.12 | 0.08 | 1.5 | 0.83 | 0.4 | 0.21 | 0.12 | 0.06 | 0.03 | 1 | 2 | 4 | 8 | 16 | 24 | 48 | 0.00 | 0.00 | 0.01 | 0.01 | 0.02 | 0.02 | 0.03 | 0.00 | 0.05 | 0.04 | 0.02 | 0.03 | 0.02 | 0.01 | 1 | 0 | 0.9 | 0.01 | 0.94 | 0.01 | 0.89 | 0.01 | 0.78 | 0.02 | 0.78 | 0.02 | 0.78 | 0.02 | |||||||||
○Loop 3058 - pairlist_simd_4xm.h:204-214 - libgromacs_mpi.so.7.0.0 [...] | 0.04 | 0.04 | 0.04 | 0.04 | 0.04 | 0.04 | 0.04 | 0.74 | 0.5 | 0.25 | 0.14 | 0.09 | 0.07 | 0.05 | 0.74 | 0.45 | 0.2 | 0.11 | 0.07 | 0.03 | 0.02 | 1 | 2 | 4 | 8 | 16 | 24 | 48 | 0.00 | 0.01 | 0.01 | 0.01 | 0.01 | 0.02 | 0.02 | 0.00 | 0.07 | 0.04 | 0.02 | 0.01 | 0.02 | 0.01 | 1 | 0 | 0.82 | 0.01 | 0.92 | 0 | 0.84 | 0.01 | 0.66 | 0.01 | 0.77 | 0.01 | 0.58 | 0.02 | |||||||||
○Loop 3063 - pairlist.cpp:3393-3394 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0.01 | 0.03 | 0.03 | 0 | 0.01 | 0.01 | 0.02 | 0.02 | 0.1 | 0.1 | 0.01 | 0.01 | 0.02 | 0.02 | 0.01 | 0.05 | 0.03 | 0 | 1 | 2 | 4 | 7 | 12 | 19 | 9 | 0.00 | 0.00 | 0.00 | 0.00 | 0.02 | 0.03 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.03 | 0.02 | 0.00 | 1 | 0 | 0.25 | 0 | 0.13 | 0 | 0.13 | 0.01 | 0.01 | 0.03 | 0.01 | 0.03 | 1 | 0 | |||||||||
○Loop 3056 - 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 3053 - pairlist.cpp:607-1255 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.02 | 0.02 | 0.01 | 0.01 | 0.01 | 0 | 0.01 | 0.02 | 0.01 | 0 | 0.01 | 0 | 0 | 0 | 1 | 1 | 2 | 5 | 5 | 5 | 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 3064 - pairlist.cpp:2778-2781 - libgromacs_mpi.so.7.0.0 | 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 | 5 | 0 | 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 3065 - pairlist.cpp:2778-2784 - libgromacs_mpi.so.7.0.0 [...] | 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 | 1 | 1 | 3 | 7 | 8 | 18 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
►Loop 3068 - 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 3069 - 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 3070 - 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 3073 - 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 3072 - 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 | |||||||||||||||||||||||
►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 | 1.03 | 1.17 | 1.22 | 1.34 | 0.92 | 0.8 | 0.62 | 20.88 | 13.26 | 9.2 | 5.48 | 2.84 | 2.24 | 1.71 | 20.88 | 12.11 | 6.49 | 3.71 | 1.38 | 0.71 | 0.31 | 1 | 2 | 4 | 8 | 16 | 24 | 45 | 0.00 | 0.16 | 0.52 | 0.64 | 0.68 | 0.81 | 0.81 | 0.00 | 1.64 | 2.74 | 1.78 | 1.01 | 0.72 | 0.40 | 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 -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-protector-strong -fstack-clash-protection | 1 | 0 | 0.86 | 0.16 | 0.8 | 0.24 | 0.7 | 0.4 | 0.95 | 0.05 | 0.92 | 0.06 | 1.05 | 0 |
►Loop 17013 - 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 | 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 17014 - lincs.cpp:276-287 - libgromacs_mpi.so.7.0.0 [...] | 0.76 | 0.85 | 0.86 | 0.91 | 0.6 | 0.5 | 0.4 | 15.42 | 9.6 | 6.48 | 3.82 | 1.88 | 1.39 | 1.05 | 15.42 | 8.79 | 4.59 | 2.54 | 0.9 | 0.45 | 0.2 | 1 | 2 | 4 | 8 | 16 | 24 | 44 | 0.00 | 0.11 | 0.37 | 0.46 | 0.45 | 0.51 | 0.49 | 0.00 | 1.15 | 1.98 | 1.27 | 0.67 | 0.45 | 0.24 | 1 | 0 | 0.88 | 0.1 | 0.84 | 0.14 | 0.76 | 0.22 | 1.07 | 0 | 1.07 | 0 | 1.2 | 0 | |||||||||
○Loop 17015 - lincs.cpp:282-284 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
►Loop 17012 - 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 | 1 | 0 | 1 | 1 | 5 | 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 17010 - 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 17011 - 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 | |||||||||||||||||||||||
○Loop 17009 - lincs.cpp:329-329 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
►Loop 17016 - 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 17017 - lincs.cpp:276-287 - libgromacs_mpi.so.7.0.0 [...] | 0.27 | 0.32 | 0.36 | 0.42 | 0.32 | 0.29 | 0.22 | 5.47 | 3.66 | 2.71 | 1.66 | 1.02 | 0.84 | 0.65 | 5.47 | 3.31 | 1.9 | 1.17 | 0.48 | 0.26 | 0.11 | 1 | 2 | 4 | 8 | 16 | 23 | 42 | 0.00 | 0.05 | 0.14 | 0.19 | 0.23 | 0.31 | 0.33 | 0.00 | 0.49 | 0.77 | 0.52 | 0.34 | 0.27 | 0.16 | 1 | 0 | 0.83 | 0.06 | 0.72 | 0.1 | 0.58 | 0.17 | 0.71 | 0.09 | 0.66 | 0.1 | 0.78 | 0.05 | |||||||||
○Loop 17018 - lincs.cpp:282-284 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
►solve_pme_yzx(gmx_pme_t const*, t_complex*, float, bool, int, int) | libgromacs_mpi.so.7.0.0 | 0.92 | 0.9 | 0.89 | 0.85 | 0.81 | 0.67 | 0.59 | 18.62 | 9.31 | 4.95 | 2.49 | 1.33 | 2.58 | 1.3 | 18.62 | 9.24 | 4.75 | 2.36 | 1.2 | 0.6 | 0.3 | 1 | 2 | 4 | 8 | 16 | 8 | 16 | 0.00 | 0.01 | 0.04 | 0.03 | 0.05 | 0.19 | 0.12 | 0.00 | 0.10 | 0.22 | 0.08 | 0.08 | 0.16 | 0.06 | 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 -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-protector-strong -fstack-clash-protection | 1 | 0 | 1.01 | 0 | 0.98 | 0.02 | 0.99 | 0.01 | 0.97 | 0.02 | 0.97 | 0.02 | 0.97 | 0.02 |
○Loop 19802 - pme_solve.cpp:499-511 - libgromacs_mpi.so.7.0.0 | 0.1 | 0.12 | 0.11 | 0.11 | 0.1 | 0.08 | 0.07 | 1.98 | 1.2 | 0.63 | 0.33 | 0.18 | 0.36 | 0.21 | 1.98 | 1.19 | 0.57 | 0.31 | 0.15 | 0.08 | 0.04 | 1 | 2 | 4 | 8 | 16 | 8 | 16 | 0.00 | 0.00 | 0.01 | 0.01 | 0.02 | 0.05 | 0.06 | 0.00 | 0.02 | 0.05 | 0.03 | 0.02 | 0.04 | 0.03 | 1 | 0 | 0.83 | 0.02 | 0.87 | 0.01 | 0.8 | 0.02 | 0.83 | 0.02 | 0.77 | 0.02 | 0.77 | 0.02 | |||||||||
○Loop 19809 - pme_solve.cpp:441-454 - libgromacs_mpi.so.7.0.0 | 0.05 | 0.04 | 0.04 | 0.04 | 0.04 | 0.03 | 0.03 | 0.93 | 0.41 | 0.22 | 0.15 | 0.08 | 0.17 | 0.08 | 0.93 | 0.37 | 0.21 | 0.1 | 0.06 | 0.03 | 0.01 | 1 | 2 | 4 | 8 | 16 | 8 | 16 | 0.00 | 0.01 | 0.00 | 0.01 | 0.01 | 0.04 | 0.03 | 0.00 | 0.06 | 0.01 | 0.03 | 0.01 | 0.03 | 0.02 | 1 | 0 | 1.26 | 0 | 1.11 | 0 | 1.16 | 0 | 0.97 | 0 | 0.97 | 0 | 1.45 | 0 | |||||||||
○Loop 19808 - pme_solve.cpp:457-470 - libgromacs_mpi.so.7.0.0 | 0.05 | 0.05 | 0.05 | 0.05 | 0.04 | 0.03 | 0.03 | 1 | 0.47 | 0.29 | 0.18 | 0.08 | 0.16 | 0.08 | 1 | 0.47 | 0.27 | 0.13 | 0.06 | 0.03 | 0.02 | 1 | 2 | 4 | 8 | 16 | 8 | 16 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.03 | 0.02 | 0.00 | 0.01 | 0.02 | 0.03 | 0.01 | 0.03 | 0.01 | 1 | 0 | 1.06 | 0 | 0.93 | 0 | 0.96 | 0 | 1.04 | 0 | 1.04 | 0 | 0.78 | 0.01 | |||||||||
○Loop 19805 - pme_solve.cpp:234-234 - libgromacs_mpi.so.7.0.0 [...] | 0.03 | 0.04 | 0.04 | 0.03 | 0.03 | 0.03 | 0.02 | 0.71 | 0.45 | 0.23 | 0.11 | 0.08 | 0.13 | 0.07 | 0.71 | 0.4 | 0.2 | 0.08 | 0.05 | 0.02 | 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 | 0.07 | 0.03 | 0.02 | 0.02 | 0.02 | 0.01 | 1 | 0 | 0.89 | 0 | 0.89 | 0 | 1.11 | 0 | 0.89 | 0 | 1.11 | 0 | 1.11 | 0 | |||||||||
○Loop 19804 - pme_solve.cpp:486-496 - libgromacs_mpi.so.7.0.0 | 0.02 | 0.02 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.3 | 0.19 | 0.06 | 0.04 | 0.04 | 0.05 | 0.04 | 0.3 | 0.17 | 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 | 0.01 | 0.02 | 0.00 | 0.03 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 1 | 0 | 0.88 | 0 | 1.25 | 0 | 1.25 | 0 | 0.94 | 0 | 0.94 | 0 | 1 | 0 | |||||||||
○Loop 19807 - pme_solve.cpp:473-475 - libgromacs_mpi.so.7.0.0 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0.15 | 0.07 | 0.04 | 0.02 | 0.01 | 0.03 | 0.01 | 0.15 | 0.07 | 0.02 | 0.01 | 0.01 | 0 | 0 | 1 | 2 | 4 | 6 | 13 | 7 | 10 | 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 | 1.07 | 0 | 1.88 | 0 | 1.88 | 0 | 0.94 | 0 | 1 | 0 | 1 | 0 | |||||||||
○Loop 19803 - 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 | |||||||||||||||||||||||
○Loop 19806 - 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 19796 - pme_solve.cpp:98-587 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0.01 | 0.01 | 0 | 0.01 | 0.01 | 0.01 | 0.09 | 0.14 | 0.07 | 0.02 | 0.03 | 0.05 | 0.03 | 0.09 | 0.11 | 0.06 | 0.01 | 0.01 | 0.01 | 0 | 1 | 2 | 4 | 8 | 15 | 8 | 14 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.02 | 0.00 | 0.04 | 0.02 | 0.00 | 0.01 | 0.01 | 0.01 | 1 | 0 | 0.41 | 0.01 | 0.38 | 0.01 | 1.13 | 0 | 0.56 | 0 | 0.28 | 0.01 | 1 | 0 | |||||||||
○Loop 19795 - pme_solve.cpp:534-543 - libgromacs_mpi.so.7.0.0 | 0.09 | 0.09 | 0.09 | 0.09 | 0.08 | 0.06 | 0.06 | 1.8 | 0.96 | 0.53 | 0.29 | 0.16 | 0.26 | 0.18 | 1.8 | 0.96 | 0.48 | 0.25 | 0.12 | 0.05 | 0.03 | 1 | 2 | 4 | 8 | 16 | 8 | 16 | 0.00 | 0.00 | 0.01 | 0.01 | 0.01 | 0.04 | 0.05 | 0.00 | 0.00 | 0.04 | 0.03 | 0.02 | 0.04 | 0.02 | 1 | 0 | 0.94 | 0.01 | 0.94 | 0.01 | 0.9 | 0.01 | 0.94 | 0 | 1.13 | 0 | 0.94 | 0 | |||||||||
►Loop 19793 - pme_solve.cpp:98-587 - libgromacs_mpi.so.7.0.0 [...] | 0.06 | 0.05 | 0.06 | 0.05 | 0.05 | 0.04 | 0.04 | 1.16 | 0.58 | 0.35 | 0.18 | 0.09 | 0.16 | 0.11 | 1.16 | 0.55 | 0.3 | 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 | 0.02 | 0.04 | 0.00 | 0.05 | 0.04 | 0.02 | 0.02 | 0.01 | 0.02 | 1 | 0 | 1.05 | 0 | 0.97 | 0 | 0.97 | 0 | 0.91 | 0 | 1.21 | 0 | 0.91 | 0 | |||||||||
○Loop 19801 - pme_solve.cpp:234-234 - libgromacs_mpi.so.7.0.0 [...] | 0.35 | 0.32 | 0.32 | 0.31 | 0.3 | 0.25 | 0.21 | 7 | 3.32 | 1.81 | 0.93 | 0.54 | 0.93 | 0.47 | 7 | 3.27 | 1.73 | 0.86 | 0.44 | 0.22 | 0.1 | 1 | 2 | 4 | 8 | 16 | 8 | 16 | 0.00 | 0.01 | 0.01 | 0.02 | 0.03 | 0.04 | 0.09 | 0.00 | 0.08 | 0.07 | 0.06 | 0.04 | 0.03 | 0.04 | 1 | 0 | 1.07 | 0 | 1.01 | 0 | 1.02 | 0 | 0.99 | 0 | 0.99 | 0 | 1.09 | 0 | |||||||||
○Loop 19798 - pme_solve.cpp:522-531 - libgromacs_mpi.so.7.0.0 | 0.08 | 0.08 | 0.08 | 0.07 | 0.08 | 0.06 | 0.05 | 1.64 | 0.87 | 0.46 | 0.23 | 0.18 | 0.25 | 0.14 | 1.64 | 0.84 | 0.42 | 0.19 | 0.11 | 0.05 | 0.03 | 1 | 2 | 4 | 8 | 16 | 8 | 16 | 0.00 | 0.00 | 0.01 | 0.01 | 0.02 | 0.04 | 0.06 | 0.00 | 0.04 | 0.03 | 0.03 | 0.03 | 0.03 | 0.03 | 1 | 0 | 0.98 | 0 | 0.98 | 0 | 1.08 | 0 | 0.93 | 0.01 | 1.02 | 0 | 0.85 | 0.01 | |||||||||
○Loop 19800 - pme_solve.cpp:555-561 - libgromacs_mpi.so.7.0.0 | 0.08 | 0.08 | 0.08 | 0.08 | 0.07 | 0.06 | 0.05 | 1.67 | 0.89 | 0.47 | 0.27 | 0.13 | 0.23 | 0.13 | 1.67 | 0.79 | 0.42 | 0.23 | 0.1 | 0.05 | 0.03 | 1 | 2 | 4 | 8 | 16 | 8 | 16 | 0.00 | 0.01 | 0.01 | 0.01 | 0.01 | 0.02 | 0.04 | 0.00 | 0.15 | 0.04 | 0.03 | 0.02 | 0.02 | 0.02 | 1 | 0 | 1.06 | 0 | 0.99 | 0 | 0.91 | 0.01 | 1.04 | 0 | 1.04 | 0 | 0.87 | 0.01 | |||||||||
○Loop 19794 - 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 19799 - 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 19797 - 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 | |||||||||||||||||||||||
○(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 | 0.88 | 0.87 | 0.82 | 0.8 | 0.73 | 0.61 | 0.54 | 17.84 | 10.63 | 5.93 | 3.39 | 2.19 | 1.48 | 1.1 | 17.84 | 8.94 | 4.36 | 2.22 | 1.09 | 0.55 | 0.27 | 1 | 2 | 4 | 8 | 16 | 22 | 41 | 0.00 | 0.23 | 0.38 | 0.40 | 0.49 | 0.47 | 0.57 | 0.00 | 2.39 | 2.04 | 1.11 | 0.73 | 0.42 | 0.28 | 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 -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-protector-strong -fstack-clash-protection | 1 | 0 | 1 | 0 | 1.02 | 0 | 1 | 0 | 1.02 | 0 | 1.01 | 0 | 1.03 | 0 |
►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 | 0.82 | 0.8 | 0.8 | 0.77 | 0.7 | 0.64 | 0.56 | 16.72 | 9.45 | 5.4 | 2.94 | 1.95 | 1.44 | 1.11 | 16.72 | 8.24 | 4.23 | 2.14 | 1.04 | 0.57 | 0.28 | 1 | 2 | 4 | 8 | 16 | 24 | 45 | 0.00 | 0.17 | 0.28 | 0.29 | 0.44 | 0.50 | 0.54 | 0.00 | 1.71 | 1.49 | 0.81 | 0.66 | 0.45 | 0.27 | 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 -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-protector-strong -fstack-clash-protection | 1 | 0 | 1.01 | 0 | 0.99 | 0.01 | 0.98 | 0.02 | 1 | 0 | 0.92 | 0.05 | 0.93 | 0.04 |
○Loop 19118 - bonded.cpp:1151-1178 - libgromacs_mpi.so.7.0.0 [...] | 0.82 | 0.8 | 0.79 | 0.77 | 0.7 | 0.64 | 0.56 | 16.71 | 9.45 | 5.39 | 2.93 | 1.94 | 1.44 | 1.1 | 16.71 | 8.24 | 4.23 | 2.14 | 1.04 | 0.57 | 0.28 | 1 | 2 | 4 | 8 | 16 | 24 | 45 | 0.00 | 0.17 | 0.28 | 0.29 | 0.44 | 0.50 | 0.54 | 0.00 | 1.71 | 1.49 | 0.81 | 0.66 | 0.45 | 0.27 | 1 | 0 | 1.01 | 0 | 0.99 | 0.01 | 0.98 | 0.02 | 1 | 0 | 0.92 | 0.05 | 0.93 | 0.04 | |||||||||
►void gmx::settleTemplate<gmx::SimdFloat, gmx::SimdFBool, 4, 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 | 0.6 | 0.55 | 0.56 | 0.54 | 0.48 | 0.43 | 0.4 | 12.08 | 6.18 | 3.74 | 2.14 | 1.02 | 0.8 | 0.46 | 12.08 | 5.72 | 2.99 | 1.51 | 0.72 | 0.38 | 0.2 | 1 | 2 | 4 | 8 | 16 | 24 | 48 | 0.00 | 0.06 | 0.11 | 0.14 | 0.12 | 0.15 | 0.19 | 0.00 | 0.66 | 0.59 | 0.38 | 0.18 | 0.13 | 0.10 | 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 -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-protector-strong -fstack-clash-protection | 1 | 0 | 1.06 | 0 | 1.01 | 0 | 1 | 0 | 1.05 | 0 | 0.99 | 0 | 0.94 | 0.02 |
○Loop 17376 - settle.cpp:423-431 - libgromacs_mpi.so.7.0.0 [...] | 0.6 | 0.55 | 0.56 | 0.54 | 0.48 | 0.43 | 0.4 | 12.08 | 6.18 | 3.74 | 2.14 | 1.02 | 0.79 | 0.46 | 12.08 | 5.72 | 2.99 | 1.5 | 0.72 | 0.38 | 0.2 | 1 | 2 | 4 | 8 | 16 | 24 | 48 | 0.00 | 0.06 | 0.11 | 0.14 | 0.12 | 0.15 | 0.19 | 0.00 | 0.66 | 0.59 | 0.38 | 0.18 | 0.13 | 0.10 | 1 | 0 | 1.06 | 0 | 1.01 | 0 | 1.01 | 0 | 1.05 | 0 | 0.99 | 0 | 0.94 | 0.02 | |||||||||
○Loop 17375 - impl_arm_neon_asimd_simd_float.h:81-527 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 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 | |||||||||||||||||||||||
►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 | 0.58 | 0.56 | 0.53 | 0.49 | 0.49 | 0.41 | 0.39 | 11.72 | 6.8 | 4.13 | 2.2 | 1.51 | 0.99 | 0.82 | 11.72 | 5.74 | 2.83 | 1.37 | 0.73 | 0.37 | 0.19 | 1 | 2 | 4 | 8 | 16 | 24 | 43 | 0.00 | 0.14 | 0.31 | 0.28 | 0.32 | 0.36 | 0.41 | 0.00 | 1.50 | 1.66 | 0.79 | 0.48 | 0.32 | 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 -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-protector-strong -fstack-clash-protection | 1 | 0 | 1.02 | 0 | 1.04 | 0 | 1.07 | 0 | 1 | 0 | 0.99 | 0 | 0.96 | 0.01 |
○Loop 19193 - bonded.cpp:2066-2124 - libgromacs_mpi.so.7.0.0 [...] | 0.58 | 0.56 | 0.53 | 0.49 | 0.49 | 0.41 | 0.38 | 11.71 | 6.8 | 4.13 | 2.2 | 1.51 | 0.99 | 0.82 | 11.71 | 5.74 | 2.82 | 1.37 | 0.73 | 0.36 | 0.19 | 1 | 2 | 4 | 8 | 16 | 24 | 43 | 0.00 | 0.14 | 0.31 | 0.28 | 0.32 | 0.36 | 0.41 | 0.00 | 1.50 | 1.66 | 0.79 | 0.48 | 0.32 | 0.21 | 1 | 0 | 1.02 | 0 | 1.04 | 0 | 1.07 | 0 | 1 | 0 | 1.02 | 0 | 0.96 | 0.01 | |||||||||
►gmx::constrain_lincs(bool, t_inputrec const&, long, gmx::Lincs*, gmx::ArrayRef<float const>, t_commrec const*, gmx_multisim_t const*, gmx::ArrayRefWithPadding<gmx::BasicVector<float> const>, gmx::ArrayRefWithPadding<gmx::BasicVecto... | libgromacs_mpi.so.7.0.0 | 0.52 | 0.56 | 0.58 | 0.63 | 0.59 | 0.54 | 0.51 | 10.52 | 6.38 | 3.9 | 2.41 | 1.61 | 1.24 | 1 | 10.52 | 5.81 | 3.08 | 1.76 | 0.87 | 0.48 | 0.26 | 1 | 2 | 4 | 8 | 16 | 24 | 47 | 0.00 | 0.08 | 0.18 | 0.23 | 0.36 | 0.43 | 0.50 | 0.00 | 0.80 | 0.96 | 0.63 | 0.53 | 0.38 | 0.25 | 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 -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-protector-strong -fstack-clash-protection | 1 | 0 | 0.91 | 0.05 | 0.85 | 0.08 | 0.75 | 0.16 | 0.76 | 0.14 | 0.68 | 0.17 | 0.63 | 0.19 |
○Loop 17040 - lincs.cpp:798-798 - libgromacs_mpi.so.7.0.0 [...] | 0.19 | 0.21 | 0.2 | 0.21 | 0.2 | 0.18 | 0.17 | 3.91 | 2.26 | 1.42 | 0.71 | 0.55 | 0.41 | 0.31 | 3.91 | 2.12 | 1.05 | 0.57 | 0.29 | 0.16 | 0.08 | 1 | 2 | 4 | 8 | 16 | 24 | 45 | 0.00 | 0.02 | 0.06 | 0.06 | 0.12 | 0.14 | 0.16 | 0.00 | 0.20 | 0.31 | 0.15 | 0.18 | 0.12 | 0.08 | 1 | 0 | 0.92 | 0.02 | 0.93 | 0.01 | 0.86 | 0.03 | 0.84 | 0.03 | 0.76 | 0.04 | 0.76 | 0.04 | |||||||||
►Loop 17037 - lincs.cpp:1085-1089 - libgromacs_mpi.so.7.0.0 [...] | 0.17 | 0.2 | 0.21 | 0.23 | 0.21 | 0.19 | 0.18 | 3.44 | 2.24 | 1.39 | 0.89 | 0.59 | 0.53 | 0.38 | 3.44 | 2.02 | 1.1 | 0.63 | 0.32 | 0.17 | 0.09 | 1 | 2 | 4 | 8 | 16 | 22 | 43 | 0.00 | 0.03 | 0.07 | 0.09 | 0.14 | 0.16 | 0.19 | 0.00 | 0.33 | 0.37 | 0.25 | 0.20 | 0.14 | 0.10 | 1 | 0 | 0.85 | 0.03 | 0.78 | 0.05 | 0.68 | 0.07 | 0.67 | 0.07 | 0.63 | 0.07 | 0.6 | 0.07 | |||||||||
○Loop 17039 - lincs.cpp:1087-1089 - libgromacs_mpi.so.7.0.0 [...] | 0.02 | 0.03 | 0.03 | 0.04 | 0.03 | 0.04 | 0.03 | 0.47 | 0.37 | 0.3 | 0.21 | 0.11 | 0.1 | 0.07 | 0.47 | 0.32 | 0.19 | 0.12 | 0.05 | 0.03 | 0.02 | 1 | 2 | 4 | 7 | 16 | 21 | 34 | 0.00 | 0.01 | 0.02 | 0.02 | 0.02 | 0.03 | 0.04 | 0.00 | 0.06 | 0.12 | 0.07 | 0.03 | 0.03 | 0.02 | 1 | 0 | 0.73 | 0.01 | 0.62 | 0.01 | 0.49 | 0.02 | 0.59 | 0.01 | 0.49 | 0.02 | 0.37 | 0.02 | |||||||||
○Loop 17038 - lincs.cpp:1098-1098 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.09 | 0.06 | 0.05 | 0.04 | 0.02 | 0.03 | 0.02 | 0.09 | 0.06 | 0.03 | 0.02 | 0.01 | 0 | 0 | 1 | 2 | 4 | 6 | 10 | 12 | 22 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 1 | 0 | 0.75 | 0 | 0.75 | 0 | 0.56 | 0 | 0.56 | 0 | 1 | 0 | 1 | 0 | |||||||||
►Loop 17033 - stl_vector.h:1043-1046 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0 | 0.01 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 1 | 3 | 4 | 2 | 5 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 17034 - lincs.cpp:1215-1223 - libgromacs_mpi.so.7.0.0 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.2 | 0.12 | 0.08 | 0.07 | 0.03 | 0.02 | 0.02 | 0.2 | 0.11 | 0.05 | 0.04 | 0.01 | 0.01 | 0 | 1 | 2 | 4 | 8 | 13 | 16 | 21 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.01 | 0.03 | 0.02 | 0.01 | 0.01 | 0.00 | 1 | 0 | 0.91 | 0 | 1 | 0 | 0.63 | 0 | 1.25 | 0 | 0.63 | 0 | 1 | 0 | |||||||||
►Loop 17032 - arm_neon.h:786-30236 - libgromacs_mpi.so.7.0.0 [...] | 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 | 1 | 3 | 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 17029 - lincs.cpp:919-919 - libgromacs_mpi.so.7.0.0 [...] | 0.11 | 0.11 | 0.11 | 0.13 | 0.11 | 0.1 | 0.11 | 2.26 | 1.21 | 0.72 | 0.5 | 0.39 | 0.26 | 0.18 | 2.26 | 1.1 | 0.61 | 0.35 | 0.17 | 0.09 | 0.05 | 1 | 2 | 4 | 8 | 16 | 22 | 42 | 0.00 | 0.02 | 0.03 | 0.05 | 0.08 | 0.08 | 0.09 | 0.00 | 0.17 | 0.15 | 0.13 | 0.12 | 0.07 | 0.05 | 1 | 0 | 1.03 | 0 | 0.93 | 0.01 | 0.81 | 0.03 | 0.83 | 0.02 | 0.78 | 0.02 | 0.71 | 0.03 | |||||||||
○Loop 17030 - lincs.cpp:1155-1155 - libgromacs_mpi.so.7.0.0 [...] | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0 | 0.13 | 0.08 | 0.07 | 0.04 | 0.04 | 0.02 | 0.01 | 0.13 | 0.06 | 0.04 | 0.02 | 0.01 | 0.01 | 0 | 1 | 2 | 4 | 8 | 12 | 18 | 20 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.01 | 0.00 | 0.03 | 0.02 | 0.01 | 0.01 | 0.01 | 0.00 | 1 | 0 | 1.08 | 0 | 0.81 | 0 | 0.81 | 0 | 0.81 | 0 | 0.41 | 0.01 | 1 | 0 | |||||||||
○Loop 17031 - lincs.cpp:919-1173 - libgromacs_mpi.so.7.0.0 [...] | 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 | 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 17035 - 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 17036 - lincs.cpp:1193-1195 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 0 | 1 | 2 | 2 | 4 | 6 | 6 | 9 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
►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 | 0.41 | 0.4 | 0.39 | 0.37 | 0.35 | 0.3 | 0.29 | 8.25 | 4.85 | 2.84 | 1.67 | 0.94 | 0.71 | 0.54 | 8.25 | 4.14 | 2.05 | 1.01 | 0.52 | 0.27 | 0.15 | 1 | 2 | 4 | 8 | 16 | 22 | 45 | 0.00 | 0.10 | 0.20 | 0.20 | 0.22 | 0.20 | 0.29 | 0.00 | 1.01 | 1.04 | 0.56 | 0.33 | 0.18 | 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 -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-protector-strong -fstack-clash-protection | 1 | 0 | 1 | 0 | 1.01 | 0 | 1.02 | 0 | 0.99 | 0 | 0.95 | 0.01 | 0.86 | 0.04 |
○Loop 19399 - pairs.cpp:863-894 - libgromacs_mpi.so.7.0.0 [...] | 0.34 | 0.34 | 0.33 | 0.31 | 0.29 | 0.25 | 0.25 | 6.98 | 4.13 | 2.4 | 1.39 | 0.75 | 0.6 | 0.46 | 6.98 | 3.54 | 1.74 | 0.85 | 0.43 | 0.22 | 0.12 | 1 | 2 | 4 | 8 | 16 | 22 | 44 | 0.00 | 0.08 | 0.16 | 0.17 | 0.18 | 0.18 | 0.25 | 0.00 | 0.83 | 0.86 | 0.47 | 0.27 | 0.16 | 0.12 | 1 | 0 | 0.99 | 0 | 1 | 0 | 1.03 | 0 | 1.01 | 0 | 0.99 | 0 | 0.91 | 0.02 | |||||||||
○Loop 19400 - pairs.cpp:606-824 - libgromacs_mpi.so.7.0.0 [...] | 0.06 | 0.06 | 0.06 | 0.06 | 0.06 | 0.04 | 0.04 | 1.21 | 0.7 | 0.44 | 0.27 | 0.21 | 0.11 | 0.09 | 1.21 | 0.57 | 0.3 | 0.15 | 0.08 | 0.04 | 0.02 | 1 | 2 | 4 | 8 | 15 | 22 | 42 | 0.00 | 0.02 | 0.03 | 0.03 | 0.04 | 0.03 | 0.04 | 0.00 | 0.19 | 0.16 | 0.09 | 0.06 | 0.03 | 0.02 | 1 | 0 | 1.06 | 0 | 1.01 | 0 | 1.01 | 0 | 0.95 | 0 | 0.95 | 0 | 0.95 | 0 | |||||||||
►Loop 19397 - pairs.cpp:606-1044 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 1 | 1 | 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 19396 - 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 19395 - 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 19394 - 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 19398 - 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 19401 - 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 | |||||||||||||||||||||||
►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 | 0.26 | 0.25 | 0.26 | 0.25 | 0.24 | 0.2 | 0.19 | 5.19 | 2.59 | 1.46 | 0.76 | 0.45 | 0.79 | 0.44 | 5.19 | 2.58 | 1.4 | 0.7 | 0.36 | 0.18 | 0.09 | 1 | 2 | 4 | 8 | 16 | 8 | 16 | 0.00 | 0.00 | 0.01 | 0.02 | 0.03 | 0.06 | 0.07 | 0.00 | 0.02 | 0.07 | 0.05 | 0.05 | 0.05 | 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 -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-protector-strong -fstack-clash-protection | 1 | 0 | 1.01 | 0 | 0.93 | 0.02 | 0.93 | 0.02 | 0.9 | 0.02 | 0.9 | 0.02 | 0.9 | 0.02 |
►Loop 19889 - 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 | 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 19886 - pme_spread.cpp:71-918 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 1 | 1 | 2 | 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 19887 - 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 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 1 | 0 | 4 | 1 | 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 19892 - pme_spread.cpp:104-145 - libgromacs_mpi.so.7.0.0 [...] | 0.26 | 0.25 | 0.26 | 0.25 | 0.24 | 0.2 | 0.18 | 5.18 | 2.58 | 1.46 | 0.76 | 0.45 | 0.78 | 0.44 | 5.18 | 2.57 | 1.39 | 0.7 | 0.36 | 0.18 | 0.09 | 1 | 2 | 4 | 8 | 16 | 8 | 16 | 0.00 | 0.00 | 0.01 | 0.02 | 0.03 | 0.06 | 0.08 | 0.00 | 0.02 | 0.07 | 0.05 | 0.05 | 0.05 | 0.04 | 1 | 0 | 1.01 | 0 | 0.93 | 0.02 | 0.93 | 0.02 | 0.9 | 0.02 | 0.9 | 0.02 | 0.9 | 0.02 | |||||||||
○Loop 19890 - 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 | |||||||||||||||||||||||
○Loop 19888 - 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 19891 - 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 | |||||||||||||||||||||||
►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 | 0.25 | 0.25 | 0.26 | 0.28 | 0.24 | 0.22 | 0.21 | 4.99 | 2.73 | 1.6 | 1.03 | 0.72 | 0.5 | 0.42 | 4.99 | 2.57 | 1.39 | 0.79 | 0.35 | 0.2 | 0.11 | 1 | 2 | 4 | 8 | 16 | 24 | 44 | 0.00 | 0.02 | 0.05 | 0.09 | 0.15 | 0.17 | 0.20 | 0.00 | 0.23 | 0.26 | 0.26 | 0.23 | 0.15 | 0.10 | 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 -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-protector-strong -fstack-clash-protection | 1 | 0 | 0.97 | 0.01 | 0.9 | 0.03 | 0.79 | 0.06 | 0.89 | 0.03 | 0.78 | 0.05 | 0.71 | 0.06 |
○Loop 17008 - lincs.cpp:368-383 - libgromacs_mpi.so.7.0.0 [...] | 0.25 | 0.25 | 0.26 | 0.28 | 0.24 | 0.22 | 0.21 | 4.99 | 2.71 | 1.6 | 1.03 | 0.72 | 0.49 | 0.42 | 4.99 | 2.56 | 1.39 | 0.78 | 0.35 | 0.19 | 0.1 | 1 | 2 | 4 | 8 | 16 | 24 | 44 | 0.00 | 0.02 | 0.05 | 0.09 | 0.15 | 0.17 | 0.20 | 0.00 | 0.22 | 0.27 | 0.26 | 0.23 | 0.15 | 0.10 | 1 | 0 | 0.97 | 0.01 | 0.9 | 0.03 | 0.8 | 0.06 | 0.89 | 0.03 | 0.82 | 0.04 | 0.78 | 0.05 | |||||||||
○Loop 17007 - 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 17006 - lincs.cpp:481-499 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 1 | 3 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
►copy_pmegrid_to_fftgrid(gmx_pme_t const*, float const*, float*, int) | libgromacs_mpi.so.7.0.0 | 0.23 | 0.24 | 0.24 | 0.23 | 0.24 | 0.17 | 0.18 | 4.58 | 2.62 | 1.37 | 0.77 | 0.44 | 0.74 | 0.47 | 4.58 | 2.49 | 1.29 | 0.63 | 0.35 | 0.15 | 0.09 | 1 | 2 | 4 | 8 | 16 | 8 | 16 | 0.00 | 0.02 | 0.01 | 0.03 | 0.03 | 0.07 | 0.11 | 0.00 | 0.18 | 0.07 | 0.07 | 0.05 | 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 -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-protector-strong -fstack-clash-protection | 1 | 0 | 0.92 | 0.02 | 0.89 | 0.03 | 0.91 | 0.02 | 0.82 | 0.04 | 0.95 | 0.01 | 0.8 | 0.04 |
►Loop 19638 - pme_grid.cpp:299-350 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 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 19635 - pme_grid.cpp:299-309 - 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 19637 - pme_grid.cpp:299-309 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.06 | 0.03 | 0.02 | 0.02 | 0.01 | 0.01 | 0.01 | 0.06 | 0.03 | 0.01 | 0.01 | 0 | 0 | 0 | 1 | 2 | 4 | 6 | 10 | 6 | 12 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 0.00 | 1 | 0 | 1 | 0 | 1.5 | 0 | 0.75 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | |||||||||
○Loop 19636 - pme_grid.cpp:303-309 - libgromacs_mpi.so.7.0.0 [...] | 0.22 | 0.24 | 0.24 | 0.22 | 0.23 | 0.17 | 0.18 | 4.52 | 2.58 | 1.35 | 0.77 | 0.44 | 0.73 | 0.47 | 4.52 | 2.45 | 1.28 | 0.62 | 0.35 | 0.15 | 0.09 | 1 | 2 | 4 | 8 | 16 | 8 | 16 | 0.00 | 0.02 | 0.01 | 0.03 | 0.03 | 0.07 | 0.11 | 0.00 | 0.17 | 0.06 | 0.08 | 0.05 | 0.06 | 0.05 | 1 | 0 | 0.92 | 0.02 | 0.88 | 0.03 | 0.91 | 0.02 | 0.81 | 0.04 | 0.94 | 0.01 | 0.78 | 0.04 | |||||||||
○Loop 19639 - 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 | 0.17 | 0.15 | 0.12 | 0.12 | 0.08 | 0.07 | 0.07 | 3.43 | 1.69 | 0.8 | 0.42 | 0.29 | 0.2 | 0.17 | 3.43 | 1.51 | 0.64 | 0.32 | 0.13 | 0.07 | 0.04 | 1 | 2 | 4 | 8 | 15 | 22 | 39 | 0.00 | 0.03 | 0.04 | 0.04 | 0.06 | 0.06 | 0.08 | 0.00 | 0.27 | 0.23 | 0.12 | 0.09 | 0.05 | 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 -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-protector-strong -fstack-clash-protection | 1 | 0 | 1.14 | 0 | 1.34 | 0 | 1.34 | 0 | 1.65 | 0 | 1.53 | 0 | 1.34 | 0 |
►Loop 5533 - pbc.cpp:823-1083 - libgromacs_mpi.so.7.0.0 [...] | 0.02 | 0.02 | 0.01 | 0.02 | 0.06 | 0.04 | 0.04 | 0.46 | 0.18 | 0.1 | 0.09 | 0.19 | 0.1 | 0.11 | 0.46 | 0.18 | 0.08 | 0.04 | 0.08 | 0.04 | 0.02 | 1 | 2 | 4 | 8 | 15 | 21 | 35 | 0.00 | 0.00 | 0.01 | 0.01 | 0.04 | 0.04 | 0.05 | 0.00 | 0.00 | 0.03 | 0.03 | 0.06 | 0.03 | 0.02 | 1 | 0 | 1.28 | 0 | 1.44 | 0 | 1.44 | 0 | 0.36 | 0.04 | 0.36 | 0.03 | 0.36 | 0.03 | |||||||||
○Loop 5534 - 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 5538 - 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 5536 - 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 5535 - 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 5537 - 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 | 0.14 | 0.15 | 0.15 | 0.13 | 0.15 | 0.1 | 0.1 | 2.87 | 1.6 | 0.86 | 0.45 | 0.27 | 0.37 | 0.25 | 2.87 | 1.55 | 0.81 | 0.37 | 0.22 | 0.09 | 0.05 | 1 | 2 | 4 | 8 | 16 | 8 | 16 | 0.00 | 0.01 | 0.01 | 0.02 | 0.02 | 0.03 | 0.07 | 0.00 | 0.08 | 0.07 | 0.06 | 0.03 | 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 -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-protector-strong -fstack-clash-protection | 1 | 0 | 0.93 | 0.01 | 0.89 | 0.02 | 0.97 | 0 | 0.82 | 0.03 | 1 | 0 | 0.9 | 0.01 |
►Loop 19643 - pme_grid.cpp:395-419 - libgromacs_mpi.so.7.0.0 [...] | 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 | 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 19640 - 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 19642 - pme_grid.cpp:395-404 - libgromacs_mpi.so.7.0.0 | 0.01 | 0.01 | 0.01 | 0 | 0.01 | 0 | 0 | 0.13 | 0.07 | 0.05 | 0.02 | 0.02 | 0.04 | 0.02 | 0.13 | 0.07 | 0.04 | 0.01 | 0.01 | 0 | 0 | 1 | 2 | 4 | 8 | 12 | 8 | 14 | 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 | 0.01 | 1 | 0 | 0.93 | 0 | 0.81 | 0 | 1.63 | 0 | 0.81 | 0 | 1 | 0 | 1 | 0 | |||||||||
○Loop 19641 - pme_grid.cpp:402-404 - libgromacs_mpi.so.7.0.0 | 0.13 | 0.14 | 0.14 | 0.13 | 0.14 | 0.1 | 0.1 | 2.73 | 1.54 | 0.83 | 0.43 | 0.26 | 0.36 | 0.23 | 2.73 | 1.48 | 0.76 | 0.35 | 0.21 | 0.09 | 0.05 | 1 | 2 | 4 | 8 | 16 | 8 | 16 | 0.00 | 0.01 | 0.02 | 0.02 | 0.02 | 0.02 | 0.06 | 0.00 | 0.10 | 0.08 | 0.05 | 0.03 | 0.02 | 0.03 | 1 | 0 | 0.92 | 0.01 | 0.9 | 0.01 | 0.98 | 0 | 0.81 | 0.03 | 0.95 | 0.01 | 0.85 | 0.01 | |||||||||
○Loop 19644 - 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 | |||||||||||||||||||||||
○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 | 0.11 | 0.09 | 0.12 | 0.11 | 0.11 | 0.09 | 0.08 | 2.15 | 1.03 | 0.73 | 0.34 | 0.23 | 0.39 | 0.2 | 2.15 | 0.94 | 0.62 | 0.3 | 0.16 | 0.08 | 0.04 | 1 | 2 | 4 | 8 | 16 | 8 | 16 | 0.00 | 0.01 | 0.02 | 0.01 | 0.02 | 0.06 | 0.05 | 0.00 | 0.13 | 0.08 | 0.03 | 0.04 | 0.05 | 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 | 1.14 | 0 | 0.87 | 0.02 | 0.9 | 0.01 | 0.84 | 0.02 | 0.84 | 0.01 | 0.84 | 0.01 | |
►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 | 0.11 | 0.11 | 0.12 | 0.1 | 0.09 | 0.07 | 0.07 | 2.28 | 1.36 | 0.81 | 0.38 | 0.29 | 0.2 | 0.18 | 2.28 | 1.17 | 0.62 | 0.29 | 0.14 | 0.07 | 0.04 | 1 | 2 | 4 | 8 | 15 | 22 | 41 | 0.00 | 0.03 | 0.04 | 0.04 | 0.07 | 0.07 | 0.08 | 0.00 | 0.27 | 0.22 | 0.12 | 0.10 | 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 -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-protector-strong -fstack-clash-protection | 1 | 0 | 0.97 | 0 | 0.92 | 0.01 | 0.98 | 0 | 1.02 | 0 | 1.02 | 0 | 0.89 | 0.01 |
►Loop 19202 - 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
►Loop 19200 - cmath:464-464 - libgromacs_mpi.so.7.0.0 [...] | 0.1 | 0.1 | 0.11 | 0.09 | 0.08 | 0.07 | 0.07 | 2.1 | 1.25 | 0.75 | 0.37 | 0.27 | 0.19 | 0.18 | 2.1 | 1.08 | 0.56 | 0.26 | 0.13 | 0.06 | 0.03 | 1 | 2 | 4 | 8 | 15 | 22 | 40 | 0.00 | 0.02 | 0.04 | 0.04 | 0.06 | 0.06 | 0.07 | 0.00 | 0.25 | 0.20 | 0.10 | 0.09 | 0.06 | 0.04 | 1 | 0 | 0.97 | 0 | 0.94 | 0.01 | 1.01 | 0 | 1.01 | 0 | 1.09 | 0 | 1.09 | 0 | |||||||||
○Loop 19201 - bonded.cpp:444-1050 - libgromacs_mpi.so.7.0.0 [...] | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.19 | 0.11 | 0.07 | 0.06 | 0.03 | 0.01 | 0.02 | 0.19 | 0.09 | 0.06 | 0.03 | 0.01 | 0 | 0 | 1 | 2 | 4 | 8 | 11 | 16 | 24 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.01 | 0.00 | 0.02 | 0.02 | 0.02 | 0.01 | 0.00 | 0.00 | 1 | 0 | 1.06 | 0 | 0.79 | 0 | 0.79 | 0 | 1.19 | 0 | 1 | 0 | 1 | 0 | |||||||||
►reduceForces(nbnxn_atomdata_t*, gmx::AtomLocality, Nbnxm::GridSet const&, float (*) [3]) [clone ._omp_fn.0] | libgromacs_mpi.so.7.0.0 | 0.09 | 0.12 | 0.14 | 0.18 | 0.17 | 0.17 | 0.19 | 1.91 | 1.29 | 0.81 | 0.57 | 0.36 | 0.32 | 0.17 | 1.91 | 1.23 | 0.76 | 0.51 | 0.26 | 0.15 | 0.09 | 1 | 2 | 4 | 8 | 16 | 24 | 48 | 0.00 | 0.01 | 0.01 | 0.02 | 0.03 | 0.05 | 0.04 | 0.00 | 0.09 | 0.06 | 0.05 | 0.04 | 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 -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-protector-strong -fstack-clash-protection | 1 | 0 | 0.78 | 0.03 | 0.63 | 0.05 | 0.47 | 0.1 | 0.46 | 0.09 | 0.4 | 0.1 | 0.33 | 0.13 |
○Loop 1905 - 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 1909 - 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 | 1 | 1 | 1 | 2 | 4 | 1 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
►Loop 1910 - 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 1906 - 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 1911 - 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 | |||||||||||||||||||||||
►Loop 1908 - atomdata.cpp:1149-1268 - 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 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 2 | 4 | 8 | 11 | 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 1907 - atomdata.cpp:1163-1169 - libgromacs_mpi.so.7.0.0 [...] | 0.09 | 0.12 | 0.14 | 0.18 | 0.17 | 0.17 | 0.18 | 1.89 | 1.28 | 0.8 | 0.56 | 0.35 | 0.31 | 0.17 | 1.89 | 1.22 | 0.75 | 0.5 | 0.25 | 0.15 | 0.09 | 1 | 2 | 4 | 8 | 16 | 24 | 48 | 0.00 | 0.01 | 0.01 | 0.02 | 0.03 | 0.05 | 0.04 | 0.00 | 0.08 | 0.06 | 0.05 | 0.04 | 0.04 | 0.02 | 1 | 0 | 0.77 | 0.03 | 0.63 | 0.05 | 0.47 | 0.09 | 0.47 | 0.09 | 0.39 | 0.1 | 0.33 | 0.12 | |||||||||
○Loop 1912 - atomdata.cpp:1173-1179 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 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_rvec_to_nbat_real(int const*, int, int, float const (*) [3], int, float*, int) | libgromacs_mpi.so.7.0.0 | 0.09 | 0.13 | 0.13 | 0.2 | 0.3 | 0.27 | 0.35 | 1.85 | 1.41 | 0.83 | 0.64 | 0.52 | 0.39 | 0.31 | 1.85 | 1.35 | 0.7 | 0.56 | 0.45 | 0.24 | 0.18 | 1 | 2 | 4 | 8 | 16 | 24 | 48 | 0.00 | 0.01 | 0.02 | 0.02 | 0.04 | 0.04 | 0.07 | 0.00 | 0.10 | 0.10 | 0.06 | 0.06 | 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 -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-protector-strong -fstack-clash-protection | 1 | 0 | 0.69 | 0.04 | 0.66 | 0.04 | 0.41 | 0.12 | 0.26 | 0.22 | 0.24 | 0.2 | 0.16 | 0.29 |
►Loop 1923 - atomdata.cpp:168-258 - libgromacs_mpi.so.7.0.0 [...] | 0.01 | 0.01 | 0.01 | 0.02 | 0.07 | 0.08 | 0.13 | 0.12 | 0.13 | 0.05 | 0.08 | 0.16 | 0.15 | 0.16 | 0.12 | 0.13 | 0.05 | 0.06 | 0.11 | 0.07 | 0.07 | 1 | 2 | 4 | 8 | 16 | 24 | 48 | 0.00 | 0.00 | 0.00 | 0.00 | 0.02 | 0.03 | 0.05 | 0.00 | 0.00 | 0.00 | 0.01 | 0.03 | 0.03 | 0.03 | 1 | 0 | 0.46 | 0.01 | 0.6 | 0 | 0.25 | 0.01 | 0.07 | 0.07 | 0.05 | 0.08 | 0.03 | 0.13 | |||||||||
○Loop 1927 - atomdata.cpp:193-203 - libgromacs_mpi.so.7.0.0 | 0.09 | 0.12 | 0.12 | 0.18 | 0.21 | 0.17 | 0.2 | 1.73 | 1.25 | 0.77 | 0.57 | 0.4 | 0.3 | 0.18 | 1.73 | 1.2 | 0.64 | 0.49 | 0.32 | 0.16 | 0.1 | 1 | 2 | 4 | 8 | 16 | 24 | 48 | 0.00 | 0.01 | 0.02 | 0.02 | 0.04 | 0.04 | 0.05 | 0.00 | 0.08 | 0.11 | 0.05 | 0.05 | 0.04 | 0.03 | 1 | 0 | 0.72 | 0.03 | 0.68 | 0.04 | 0.44 | 0.1 | 0.34 | 0.14 | 0.34 | 0.11 | 0.27 | 0.15 | |||||||||
○Loop 1929 - atomdata.cpp:226-236 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 1924 - 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 1925 - 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 1928 - 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 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 1926 - 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 1931 - 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 | |||||||||||||||||||||||
○Loop 1930 - 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 | |||||||||||||||||||||||
►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 | 0.11 | 0.14 | 0.09 | 0.14 | 0.09 | 0.1 | 1.76 | 1.13 | 0.85 | 0.3 | 0.29 | 0.17 | 0.12 | 1.77 | 1.11 | 0.72 | 0.26 | 0.2 | 0.08 | 0.05 | 1 | 2 | 4 | 8 | 16 | 24 | 48 | 0.00 | 0.00 | 0.02 | 0.01 | 0.03 | 0.03 | 0.04 | 0.00 | 0.03 | 0.09 | 0.04 | 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 -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-protector-strong -fstack-clash-protection | 1 | 0 | 0.8 | 0.02 | 0.61 | 0.05 | 0.85 | 0.01 | 0.55 | 0.06 | 0.69 | 0.03 | 0.55 | 0.04 |
○Loop 17593 - update.cpp:481-481 - libgromacs_mpi.so.7.0.0 [...] | 0.07 | 0.09 | 0.12 | 0.08 | 0.12 | 0.08 | 0.08 | 1.41 | 0.99 | 0.71 | 0.24 | 0.25 | 0.15 | 0.1 | 1.41 | 0.96 | 0.62 | 0.21 | 0.17 | 0.07 | 0.04 | 1 | 2 | 4 | 8 | 16 | 24 | 48 | 0.00 | 0.00 | 0.01 | 0.01 | 0.03 | 0.03 | 0.03 | 0.00 | 0.05 | 0.07 | 0.03 | 0.04 | 0.03 | 0.02 | 1 | 0 | 0.73 | 0.02 | 0.57 | 0.05 | 0.84 | 0.01 | 0.52 | 0.06 | 0.63 | 0.03 | 0.55 | 0.04 | |||||||||
○Loop 17581 - update.cpp:361-387 - libgromacs_mpi.so.7.0.0 [...] | 0.02 | 0.01 | 0.02 | 0.01 | 0.02 | 0.01 | 0.02 | 0.35 | 0.15 | 0.11 | 0.07 | 0.04 | 0.03 | 0.02 | 0.35 | 0.14 | 0.09 | 0.04 | 0.03 | 0.01 | 0.01 | 1 | 2 | 4 | 8 | 16 | 23 | 43 | 0.00 | 0.00 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.02 | 0.03 | 0.02 | 0.01 | 0.01 | 0.01 | 1 | 0 | 1.25 | 0 | 0.97 | 0 | 1.09 | 0 | 0.73 | 0.01 | 1.09 | 0 | 0.55 | 0.01 | |||||||||
○Loop 17596 - 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 17594 - 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 17592 - 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 17595 - 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 17598 - 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 17597 - 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 17589 - 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 17590 - 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 17591 - 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 17582 - update.cpp:361-1813 - 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 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 1 | 4 | 6 | 7 | 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 17583 - 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 17588 - 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 17584 - 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 17585 - 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 17586 - 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 17587 - 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 | |||||||||||||||||||||||
○atan2f | libm-2.31.so | 0.08 | 0.09 | 0.09 | 0.08 | 0.08 | 0.06 | 0.06 | 1.65 | 1.13 | 0.64 | 0.33 | 0.24 | 0.14 | 0.13 | 1.65 | 0.96 | 0.47 | 0.23 | 0.11 | 0.05 | 0.03 | 1 | 2 | 4 | 8 | 16 | 22 | 39 | 0.00 | 0.02 | 0.03 | 0.03 | 0.06 | 0.05 | 0.06 | 0.00 | 0.24 | 0.18 | 0.09 | 0.08 | 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 | 0.86 | 0.01 | 0.88 | 0.01 | 0.9 | 0.01 | 0.94 | 0.01 | 1.03 | 0 | 0.86 | 0.01 | |
○evaluate_single(float, float, float const*, float, float, float, float, float*, float*) | libgromacs_mpi.so.7.0.0 | 0.07 | 0.06 | 0.06 | 0.06 | 0.06 | 0.05 | 0.05 | 1.5 | 0.8 | 0.55 | 0.25 | 0.2 | 0.13 | 0.11 | 1.5 | 0.67 | 0.34 | 0.17 | 0.1 | 0.05 | 0.02 | 1 | 2 | 4 | 8 | 15 | 22 | 41 | 0.00 | 0.02 | 0.04 | 0.03 | 0.04 | 0.05 | 0.06 | 0.00 | 0.20 | 0.22 | 0.09 | 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 -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-protector-strong -fstack-clash-protection | 1 | 0 | 1.12 | 0 | 1.1 | 0 | 1.1 | 0 | 0.94 | 0 | 0.94 | 0 | 1.17 | 0 |
►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 | 0.07 | 0.07 | 0.07 | 0.06 | 0.06 | 0.05 | 0.05 | 1.46 | 0.72 | 0.4 | 0.22 | 0.14 | 0.1 | 0.07 | 1.46 | 0.69 | 0.38 | 0.18 | 0.09 | 0.05 | 0.02 | 1 | 2 | 4 | 8 | 16 | 24 | 48 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.02 | 0.03 | 0.00 | 0.04 | 0.01 | 0.03 | 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 -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-protector-strong -fstack-clash-protection | 1 | 0 | 1.06 | 0 | 0.96 | 0 | 1.01 | 0 | 1.01 | 0 | 0.91 | 0 | 1.14 | 0 |
►Loop 17119 - 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 | 0 | 1 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
►Loop 17116 - 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
►Loop 17115 - 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 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 17120 - md_support.cpp:139-157 - libgromacs_mpi.so.7.0.0 [...] | 0.07 | 0.07 | 0.07 | 0.06 | 0.06 | 0.05 | 0.05 | 1.46 | 0.72 | 0.4 | 0.22 | 0.13 | 0.1 | 0.07 | 1.46 | 0.69 | 0.38 | 0.18 | 0.09 | 0.05 | 0.02 | 1 | 2 | 4 | 8 | 16 | 24 | 48 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.02 | 0.03 | 0.00 | 0.04 | 0.01 | 0.03 | 0.02 | 0.02 | 0.01 | 1 | 0 | 1.06 | 0 | 0.96 | 0 | 1.01 | 0 | 1.01 | 0 | 0.91 | 0 | 1.14 | 0 | |||||||||
○Loop 17117 - 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 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 17118 - md_support.cpp:132-134 - 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 | |||||||||||||||||||||||
○explicit_bzero | libc-2.31.so | 0.07 | 0.22 | 0.18 | 0.15 | 0.17 | 0.14 | 0.14 | 1.44 | 2.3 | 1.01 | 0.53 | 0.33 | 0.27 | 0.18 | 1.45 | 2.22 | 0.95 | 0.42 | 0.26 | 0.12 | 0.07 | 1 | 2 | 4 | 8 | 16 | 32 | 64 | 0.00 | 0.01 | 0.01 | 0.03 | 0.03 | 0.09 | 0.08 | 0.00 | 0.12 | 0.05 | 0.07 | 0.04 | 0.08 | 0.04 | Memory (%): 100.00 | MPI (%): 59.98 Memory (%): 39.68 Math (%): 0.34 | Memory (%): 59.42 MPI (%): 40.32 OMP (%): 0.26 | Memory (%): 77.29 MPI (%): 21.35 Math (%): 0.90 OMP (%): 0.45 | Memory (%): 80.90 MPI (%): 17.27 Math (%): 1.70 OMP (%): 0.12 | Memory (%): 75.67 MPI (%): 22.43 Math (%): 1.65 OMP (%): 0.25 | Memory (%): 71.05 MPI (%): 26.74 Math (%): 2.10 OMP (%): 0.11 | 1 | 0 | 0.33 | 0.15 | 0.38 | 0.11 | 0.43 | 0.09 | 0.35 | 0.11 | 0.38 | 0.09 | 0.32 | 0.09 | |
○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 | 0.07 | 0.07 | 0.06 | 0.05 | 0.04 | 1.41 | 0.87 | 0.45 | 0.34 | 0.19 | 0.14 | 0.08 | 1.41 | 0.73 | 0.36 | 0.2 | 0.09 | 0.05 | 0.02 | 1 | 2 | 4 | 8 | 16 | 22 | 38 | 0.00 | 0.02 | 0.02 | 0.03 | 0.04 | 0.05 | 0.04 | 0.00 | 0.21 | 0.13 | 0.10 | 0.07 | 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 -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-protector-strong -fstack-clash-protection | 1 | 0 | 0.97 | 0 | 0.98 | 0 | 0.88 | 0.01 | 0.98 | 0 | 0.88 | 0.01 | 1.1 | 0 |
►void gmx::settleTemplate<gmx::SimdFloat, gmx::SimdFBool, 4, 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 | 0.07 | 0.06 | 0.05 | 0.05 | 0.05 | 1.45 | 0.76 | 0.55 | 0.23 | 0.15 | 0.1 | 0.06 | 1.45 | 0.75 | 0.4 | 0.17 | 0.08 | 0.04 | 0.02 | 1 | 2 | 4 | 8 | 16 | 24 | 47 | 0.00 | 0.00 | 0.02 | 0.01 | 0.02 | 0.02 | 0.03 | 0.00 | 0.01 | 0.11 | 0.04 | 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 -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-protector-strong -fstack-clash-protection | 1 | 0 | 0.97 | 0 | 0.91 | 0.01 | 1.07 | 0 | 1.13 | 0 | 1.13 | 0 | 1.13 | 0 |
○Loop 17378 - settle.cpp:423-674 - libgromacs_mpi.so.7.0.0 [...] | 0.07 | 0.07 | 0.07 | 0.06 | 0.05 | 0.05 | 0.04 | 1.45 | 0.76 | 0.55 | 0.23 | 0.15 | 0.1 | 0.06 | 1.45 | 0.75 | 0.4 | 0.17 | 0.08 | 0.04 | 0.02 | 1 | 2 | 4 | 8 | 16 | 24 | 47 | 0.00 | 0.00 | 0.02 | 0.01 | 0.02 | 0.02 | 0.03 | 0.00 | 0.01 | 0.11 | 0.04 | 0.03 | 0.02 | 0.02 | 1 | 0 | 0.97 | 0 | 0.91 | 0.01 | 1.07 | 0 | 1.13 | 0 | 1.13 | 0 | 1.13 | 0 | |||||||||
○Loop 17377 - impl_arm_neon_asimd_simd_float.h:81-527 - libgromacs_mpi.so.7.0.0 [...] | 0 | 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 | |||||||||||||||||||||||
►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 | 0.06 | 0.06 | 0.06 | 0.05 | 0.04 | 0.05 | 1.25 | 0.65 | 0.48 | 0.24 | 0.17 | 0.12 | 0.1 | 1.25 | 0.58 | 0.33 | 0.15 | 0.08 | 0.04 | 0.02 | 1 | 2 | 4 | 8 | 15 | 22 | 38 | 0.00 | 0.01 | 0.03 | 0.03 | 0.04 | 0.04 | 0.05 | 0.00 | 0.10 | 0.17 | 0.08 | 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 -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-protector-strong -fstack-clash-protection | 1 | 0 | 1.08 | 0 | 0.95 | 0 | 1.04 | 0 | 0.98 | 0 | 0.98 | 0 | 0.98 | 0 |
○Loop 19112 - bonded.cpp:129-1867 - libgromacs_mpi.so.7.0.0 [...] | 0.06 | 0.05 | 0.06 | 0.05 | 0.05 | 0.04 | 0.04 | 1.17 | 0.61 | 0.45 | 0.21 | 0.14 | 0.11 | 0.08 | 1.17 | 0.55 | 0.3 | 0.14 | 0.07 | 0.03 | 0.02 | 1 | 2 | 4 | 8 | 15 | 22 | 38 | 0.00 | 0.01 | 0.03 | 0.03 | 0.03 | 0.04 | 0.05 | 0.00 | 0.10 | 0.15 | 0.07 | 0.05 | 0.03 | 0.03 | 1 | 0 | 1.06 | 0 | 0.97 | 0 | 1.04 | 0 | 1.04 | 0 | 1.22 | 0 | 0.91 | 0 | |||||||||
►std::enable_if<(((BondedKernelFlavor)2)!=((BondedKernelFlavor)0))||(!(1)), float>::type (anonymous namespace)::pdihs<(BondedKernelFlavor)2>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, floa... | libgromacs_mpi.so.7.0.0 | 0.06 | 0.05 | 0.05 | 0.06 | 0.05 | 0.04 | 0.04 | 1.2 | 0.63 | 0.42 | 0.27 | 0.14 | 0.09 | 0.07 | 1.2 | 0.54 | 0.27 | 0.15 | 0.07 | 0.03 | 0.02 | 1 | 2 | 4 | 8 | 14 | 22 | 37 | 0.00 | 0.01 | 0.03 | 0.04 | 0.03 | 0.03 | 0.04 | 0.00 | 0.14 | 0.15 | 0.10 | 0.04 | 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 -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-protector-strong -fstack-clash-protection | 1 | 0 | 1.11 | 0 | 1.11 | 0 | 1 | 0 | 1.07 | 0 | 1.25 | 0 | 0.94 | 0 |
►Loop 19235 - 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 19233 - bonded.cpp:1912-2010 - libgromacs_mpi.so.7.0.0 [...] | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.18 | 0.11 | 0.08 | 0.08 | 0.03 | 0.02 | 0.03 | 0.18 | 0.09 | 0.06 | 0.03 | 0.01 | 0.01 | 0 | 1 | 2 | 4 | 6 | 13 | 16 | 26 | 0.00 | 0.00 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.04 | 0.03 | 0.02 | 0.01 | 0.01 | 0.01 | 1 | 0 | 1 | 0 | 0.75 | 0 | 0.75 | 0 | 1.13 | 0 | 0.56 | 0 | 1 | 0 | |||||||||
○Loop 19234 - bonded.cpp:1913-2008 - libgromacs_mpi.so.7.0.0 [...] | 0.05 | 0.04 | 0.04 | 0.04 | 0.04 | 0.03 | 0.03 | 1.03 | 0.52 | 0.33 | 0.22 | 0.12 | 0.08 | 0.06 | 1.03 | 0.45 | 0.21 | 0.12 | 0.06 | 0.03 | 0.01 | 1 | 2 | 4 | 8 | 14 | 22 | 37 | 0.00 | 0.01 | 0.02 | 0.03 | 0.03 | 0.03 | 0.03 | 0.00 | 0.10 | 0.13 | 0.08 | 0.04 | 0.03 | 0.02 | 1 | 0 | 1.14 | 0 | 1.23 | 0 | 1.07 | 0 | 1.07 | 0 | 1.07 | 0 | 1.61 | 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 | 0.06 | 0.07 | 0.06 | 0.06 | 0.06 | 0.05 | 0.04 | 1.22 | 0.89 | 0.43 | 0.24 | 0.18 | 0.17 | 0.1 | 1.22 | 0.73 | 0.33 | 0.17 | 0.08 | 0.05 | 0.02 | 1 | 2 | 4 | 8 | 16 | 22 | 38 | 0.00 | 0.02 | 0.02 | 0.02 | 0.04 | 0.05 | 0.04 | 0.00 | 0.22 | 0.12 | 0.06 | 0.06 | 0.05 | 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 -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-protector-strong -fstack-clash-protection | 1 | 0 | 0.84 | 0.01 | 0.92 | 0 | 0.9 | 0.01 | 0.95 | 0 | 0.76 | 0.01 | 0.95 | 0 |
○Loop 19217 - bonded.cpp:189-190 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.09 | 0.05 | 0.03 | 0.03 | 0.02 | 0.01 | 0.01 | 0.09 | 0.05 | 0.02 | 0.01 | 0 | 0 | 0 | 1 | 2 | 4 | 7 | 8 | 10 | 11 | 0.00 | 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 | 1 | 0 | 0.9 | 0 | 1.13 | 0 | 1.13 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | |||||||||
►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 | 0.05 | 0.04 | 0.04 | 0.04 | 0.03 | 1.09 | 0.57 | 0.37 | 0.18 | 0.24 | 0.2 | 0.15 | 1.09 | 0.51 | 0.24 | 0.11 | 0.05 | 0.03 | 0.02 | 1 | 2 | 4 | 8 | 8 | 8 | 16 | 0.00 | 0.01 | 0.02 | 0.02 | 0.07 | 0.06 | 0.07 | 0.00 | 0.08 | 0.08 | 0.05 | 0.10 | 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 -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-protector-strong -fstack-clash-protection | 1 | 0 | 1.07 | 0 | 1.14 | 0 | 1.24 | 0 | 1.36 | 0 | 1.14 | 0 | 0.85 | 0 |
○Loop 19194 - bonded.cpp:2179-2254 - libgromacs_mpi.so.7.0.0 [...] | 0.05 | 0.05 | 0.05 | 0.04 | 0.04 | 0.04 | 0.03 | 1.09 | 0.56 | 0.37 | 0.18 | 0.24 | 0.2 | 0.15 | 1.09 | 0.5 | 0.24 | 0.11 | 0.05 | 0.03 | 0.02 | 1 | 2 | 4 | 8 | 8 | 8 | 16 | 0.00 | 0.01 | 0.02 | 0.02 | 0.07 | 0.06 | 0.07 | 0.00 | 0.08 | 0.08 | 0.05 | 0.10 | 0.05 | 0.03 | 1 | 0 | 1.09 | 0 | 1.14 | 0 | 1.24 | 0 | 1.36 | 0 | 1.14 | 0 | 0.85 | 0 | |||||||||
○atanf | libm-2.31.so | 0.05 | 0.04 | 0.05 | 0.04 | 0.05 | 0.03 | 0.04 | 0.98 | 0.48 | 0.29 | 0.19 | 0.14 | 0.1 | 0.08 | 0.98 | 0.45 | 0.24 | 0.12 | 0.07 | 0.03 | 0.02 | 1 | 2 | 4 | 8 | 15 | 22 | 39 | 0.00 | 0.00 | 0.01 | 0.02 | 0.03 | 0.03 | 0.04 | 0.00 | 0.04 | 0.06 | 0.06 | 0.04 | 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 | 1.02 | 0 | 1.02 | 0 | 0.87 | 0.01 | 1.02 | 0 | 0.77 | 0.01 | |
○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 | 0.05 | 0.05 | 0.05 | 0.05 | 0.05 | 0.03 | 0.03 | 0.97 | 0.53 | 0.32 | 0.18 | 0.1 | 0.15 | 0.1 | 0.97 | 0.53 | 0.27 | 0.13 | 0.07 | 0.03 | 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 | 0.00 | 0.04 | 0.03 | 0.01 | 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 | 0.92 | 0 | 0.9 | 0.01 | 0.93 | 0 | 0.87 | 0.01 | 1.01 | 0 | 0.76 | 0.01 | |
►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 | 0.05 | 0.05 | 0.06 | 0.07 | 0.06 | 0.06 | 0.06 | 1.08 | 0.53 | 0.33 | 0.26 | 0.2 | 0.15 | 0.11 | 1.08 | 0.48 | 0.3 | 0.19 | 0.09 | 0.05 | 0.03 | 1 | 2 | 4 | 8 | 16 | 22 | 45 | 0.00 | 0.01 | 0.00 | 0.02 | 0.04 | 0.05 | 0.05 | 0.00 | 0.07 | 0.02 | 0.04 | 0.06 | 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 -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-protector-strong -fstack-clash-protection | 1 | 0 | 1.13 | 0 | 0.9 | 0.01 | 0.71 | 0.02 | 0.75 | 0.01 | 0.68 | 0.02 | 0.56 | 0.03 |
►Loop 5130 - threaded_force_buffer.cpp:170-211 - 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 | 1 | 3 | 1 | 2 | 2 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
►Loop 5127 - threaded_force_buffer.cpp:171-211 - libgromacs_mpi.so.7.0.0 [...] | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.38 | 0.22 | 0.12 | 0.11 | 0.07 | 0.05 | 0.04 | 0.38 | 0.18 | 0.1 | 0.06 | 0.03 | 0.01 | 0.01 | 1 | 2 | 4 | 8 | 14 | 20 | 36 | 0.00 | 0.01 | 0.00 | 0.01 | 0.01 | 0.01 | 0.02 | 0.00 | 0.05 | 0.02 | 0.02 | 0.02 | 0.01 | 0.01 | 1 | 0 | 1.06 | 0 | 0.95 | 0 | 0.79 | 0 | 0.79 | 0 | 1.19 | 0 | 0.59 | 0.01 | |||||||||
○Loop 5132 - threaded_force_buffer.cpp:200-200 - libgromacs_mpi.so.7.0.0 [...] | 0.03 | 0.02 | 0.03 | 0.03 | 0.03 | 0.03 | 0.02 | 0.55 | 0.23 | 0.17 | 0.13 | 0.11 | 0.09 | 0.06 | 0.55 | 0.23 | 0.16 | 0.1 | 0.04 | 0.03 | 0.01 | 1 | 2 | 4 | 8 | 16 | 20 | 36 | 0.00 | 0.00 | 0.00 | 0.01 | 0.02 | 0.03 | 0.03 | 0.00 | 0.00 | 0.01 | 0.02 | 0.03 | 0.03 | 0.01 | 1 | 0 | 1.2 | 0 | 0.86 | 0 | 0.69 | 0.01 | 0.86 | 0 | 0.57 | 0.01 | 0.86 | 0 | |||||||||
►Loop 5125 - threaded_force_buffer.cpp:178-211 - libgromacs_mpi.so.7.0.0 [...] | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.13 | 0.07 | 0.07 | 0.04 | 0.04 | 0.04 | 0.03 | 0.13 | 0.06 | 0.05 | 0.02 | 0.02 | 0.01 | 0.01 | 1 | 2 | 4 | 7 | 15 | 21 | 38 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.01 | 0.00 | 0.01 | 0.02 | 0.01 | 0.01 | 0.01 | 0.01 | 1 | 0 | 1.08 | 0 | 0.65 | 0 | 0.81 | 0 | 0.41 | 0.01 | 0.41 | 0.01 | 0.2 | 0.01 | |||||||||
►Loop 5129 - 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 5128 - 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 5126 - 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 | |||||||||||||||||||||||
○Loop 5131 - 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 | |||||||||||||||||||||||
►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 | 0.04 | 0.04 | 0.04 | 0.04 | 0.03 | 0.03 | 0.8 | 0.45 | 0.23 | 0.14 | 0.1 | 0.09 | 0.05 | 0.79 | 0.45 | 0.21 | 0.11 | 0.05 | 0.03 | 0.01 | 1 | 2 | 4 | 8 | 16 | 24 | 46 | 0.00 | 0.00 | 0.01 | 0.01 | 0.01 | 0.02 | 0.02 | 0.00 | 0.01 | 0.03 | 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 -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-protector-strong -fstack-clash-protection | 1 | 0 | 0.88 | 0 | 0.94 | 0 | 0.9 | 0 | 0.99 | 0 | 0.82 | 0.01 | 1.23 | 0 |
►Loop 17550 - update.cpp:1637-1641 - libgromacs_mpi.so.7.0.0 [...] | 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 | 1 | 2 | 1 | 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 17551 - update.cpp:1641-1641 - libgromacs_mpi.so.7.0.0 | 0.04 | 0.04 | 0.04 | 0.04 | 0.04 | 0.03 | 0.03 | 0.8 | 0.45 | 0.23 | 0.13 | 0.1 | 0.09 | 0.05 | 0.79 | 0.45 | 0.21 | 0.11 | 0.05 | 0.03 | 0.01 | 1 | 2 | 4 | 8 | 16 | 24 | 46 | 0.00 | 0.00 | 0.01 | 0.01 | 0.01 | 0.02 | 0.02 | 0.00 | 0.01 | 0.03 | 0.02 | 0.02 | 0.02 | 0.01 | 1 | 0 | 0.88 | 0 | 0.94 | 0 | 0.9 | 0 | 0.99 | 0 | 0.82 | 0.01 | 1.23 | 0 | |||||||||
○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 | 0.04 | 0.05 | 0.04 | 0.04 | 0.04 | 0.03 | 0.04 | 0.86 | 0.5 | 0.25 | 0.18 | 0.09 | 0.12 | 0.11 | 0.86 | 0.49 | 0.23 | 0.12 | 0.06 | 0.03 | 0.02 | 1 | 2 | 4 | 8 | 16 | 8 | 16 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.01 | 0.05 | 0.00 | 0.01 | 0.02 | 0.03 | 0.02 | 0.01 | 0.02 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | 1 | 0 | 0.88 | 0.01 | 0.93 | 0 | 0.9 | 0 | 0.9 | 0 | 0.9 | 0 | 0.67 | 0.01 | |
○sincosf | libm-2.31.so | 0.04 | 0.04 | 0.04 | 0.04 | 0.03 | 0.03 | 0.03 | 0.73 | 0.52 | 0.27 | 0.18 | 0.11 | 0.1 | 0.06 | 0.73 | 0.45 | 0.19 | 0.1 | 0.05 | 0.03 | 0.01 | 1 | 2 | 4 | 8 | 14 | 21 | 38 | 0.00 | 0.01 | 0.02 | 0.02 | 0.02 | 0.03 | 0.03 | 0.00 | 0.11 | 0.11 | 0.06 | 0.03 | 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 | 0.81 | 0.01 | 0.96 | 0 | 0.91 | 0 | 0.91 | 0 | 0.76 | 0.01 | 1.14 | 0 | |
►int make_bondeds_zone<true>(gmx_reverse_top_t const&, gmx::ArrayRef<int const>, gmx_ga2la_t const&, gmx_domdec_zones_t const&, std::vector<gmx_molblock_t, std::allocator<gmx_molblock_t> > const&, bool, int const*, bo... | libgromacs_mpi.so.7.0.0 | 0.03 | 0 | 0 | 0 | 0 | 0 | 0 | 0.64 | 0 | 0 | 0 | 0 | 0 | 0 | 0.64 | 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 -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-protector-strong -fstack-clash-protection | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
►Loop 4144 - 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 4141 - 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 4143 - 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 4142 - 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 4134 - 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 4133 - localtopology.cpp:108-716 - libgromacs_mpi.so.7.0.0 [...] | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0.16 | 0 | 0 | 0 | 0 | 0 | 0 | 0.16 | 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 4136 - localtopology.cpp:416-576 - libgromacs_mpi.so.7.0.0 [...] | 0.02 | 0 | 0 | 0 | 0 | 0 | 0 | 0.42 | 0 | 0 | 0 | 0 | 0 | 0 | 0.42 | 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 4138 - hashedmap.h:274-282 - 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 4137 - 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 4139 - 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 4140 - stl_algo.h:568-577 - 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 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 4135 - 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 4145 - 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 4132 - 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 | 0.02 | 0.03 | 0.02 | 0.03 | 0.02 | 0.02 | 0.56 | 0.22 | 0.15 | 0.06 | 0.06 | 0.04 | 0.04 | 0.56 | 0.19 | 0.13 | 0.05 | 0.04 | 0.02 | 0.01 | 1 | 2 | 4 | 8 | 16 | 24 | 43 | 0.00 | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.02 | 0.00 | 0.05 | 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 -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-protector-strong -fstack-clash-protection | 1 | 0 | 1.47 | 0 | 1.08 | 0 | 1.4 | 0 | 0.88 | 0 | 0.88 | 0 | 0.88 | 0 |
○Loop 16409 - calcvir.cpp:61-81 - libgromacs_mpi.so.7.0.0 [...] | 0.03 | 0.02 | 0.03 | 0.02 | 0.03 | 0.02 | 0.02 | 0.56 | 0.22 | 0.15 | 0.06 | 0.06 | 0.04 | 0.04 | 0.56 | 0.19 | 0.13 | 0.05 | 0.04 | 0.02 | 0.01 | 1 | 2 | 4 | 8 | 16 | 24 | 43 | 0.00 | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.02 | 0.00 | 0.05 | 0.02 | 0.01 | 0.01 | 0.01 | 0.01 | 1 | 0 | 1.47 | 0 | 1.08 | 0 | 1.4 | 0 | 0.88 | 0 | 0.88 | 0 | 0.88 | 0 | |||||||||
►wrap_periodic_pmegrid(gmx_pme_t const*, float*) | libgromacs_mpi.so.7.0.0 | 0.03 | 0.03 | 0.02 | 0.03 | 0.03 | 0.02 | 0.02 | 0.7 | 0.38 | 0.15 | 0.09 | 0.07 | 0.07 | 0.07 | 0.7 | 0.34 | 0.12 | 0.08 | 0.04 | 0.01 | 0.01 | 1 | 2 | 4 | 8 | 16 | 8 | 16 | 0.00 | 0.01 | 0.01 | 0.00 | 0.01 | 0.02 | 0.03 | 0.00 | 0.06 | 0.04 | 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 -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-protector-strong -fstack-clash-protection | 1 | 0 | 1.03 | 0 | 1.46 | 0 | 1.09 | 0 | 1.09 | 0 | 2.19 | 0 | 1.09 | 0 |
►Loop 19660 - pme_grid.cpp:436-442 - libgromacs_mpi.so.7.0.0 | 0.02 | 0.02 | 0.01 | 0.02 | 0.01 | 0.01 | 0.01 | 0.33 | 0.22 | 0.09 | 0.06 | 0.04 | 0.05 | 0.04 | 0.33 | 0.21 | 0.07 | 0.04 | 0.02 | 0.01 | 0 | 1 | 2 | 4 | 8 | 15 | 8 | 16 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.02 | 0.00 | 0.02 | 0.02 | 0.01 | 0.01 | 0.01 | 0.01 | 1 | 0 | 0.79 | 0 | 1.18 | 0 | 1.03 | 0 | 1.03 | 0 | 1.03 | 0 | 1 | 0 | |||||||||
○Loop 19658 - 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 19661 - pme_grid.cpp:438-442 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.05 | 0.02 | 0.01 | 0.02 | 0.01 | 0.01 | 0.02 | 0.05 | 0.02 | 0.01 | 0.01 | 0 | 0 | 0 | 1 | 2 | 3 | 7 | 9 | 6 | 11 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.01 | 1 | 0 | 1.25 | 0 | 1.25 | 0 | 0.63 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | |||||||||
○Loop 19659 - 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 19662 - pme_grid.cpp:442-442 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.03 | 0.01 | 0 | 0.02 | 0.01 | 0 | 0 | 0.03 | 0.01 | 0 | 0.01 | 0 | 0 | 0 | 1 | 1 | 2 | 4 | 10 | 3 | 6 | 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 19652 - 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 | 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 19655 - pme_grid.cpp:449-455 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 2 | 1 | 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 19653 - 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 19656 - pme_grid.cpp:451-455 - libgromacs_mpi.so.7.0.0 | 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 | 1 | 1 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 19654 - pme_grid.cpp:453-455 - libgromacs_mpi.so.7.0.0 | 0.01 | 0.01 | 0 | 0.01 | 0 | 0 | 0 | 0.16 | 0.12 | 0.05 | 0.02 | 0.02 | 0.02 | 0.02 | 0.16 | 0.1 | 0.03 | 0.02 | 0.01 | 0 | 0 | 1 | 2 | 4 | 8 | 10 | 7 | 14 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.03 | 0.02 | 0.01 | 0.01 | 0.01 | 0.01 | 1 | 0 | 0.8 | 0 | 1.33 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | |||||||||
○Loop 19657 - pme_grid.cpp:455-455 - 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 19645 - 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 19649 - 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 19648 - pme_grid.cpp:465-471 - 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 19650 - pme_grid.cpp:467-471 - 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 19647 - pme_grid.cpp:469-471 - libgromacs_mpi.so.7.0.0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0.11 | 0 | 0 | 0 | 0 | 0 | 0 | 0.1 | 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 19651 - pme_grid.cpp:471-471 - 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 19646 - 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 | |||||||||||||||||||||||
○Unknown function | libgromacs_mpi.so.7.0.0 | 0.02 | 0.03 | 0.04 | 0.07 | 0.1 | 0.11 | 0.17 | 0.39 | 0.42 | 0.29 | 0.21 | 0.23 | 0.15 | 0.14 | 0.39 | 0.35 | 0.23 | 0.19 | 0.15 | 0.1 | 0.08 | 1 | 2 | 4 | 8 | 16 | 32 | 64 | 0.00 | 0.01 | 0.01 | 0.01 | 0.02 | 0.04 | 0.05 | 0.00 | 0.09 | 0.04 | 0.02 | 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 | 1 | 0 | 0.56 | 0.01 | 0.42 | 0.02 | 0.26 | 0.05 | 0.16 | 0.08 | 0.12 | 0.1 | 0.08 | 0.16 | |
►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 | 0.42 | 0 | 0 | 0 | 0 | 0 | 0 | 0.42 | 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 -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-protector-strong -fstack-clash-protection | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
►Loop 4163 - 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 4164 - stl_vector.h:336-1798 - 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 4165 - localtopology.cpp:737-777 - libgromacs_mpi.so.7.0.0 [...] | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0.12 | 0 | 0 | 0 | 0 | 0 | 0 | 0.12 | 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 4172 - stl_vector.h:919-1198 - libgromacs_mpi.so.7.0.0 [...] | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0.11 | 0 | 0 | 0 | 0 | 0 | 0 | 0.11 | 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 4162 - 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 4166 - 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 4169 - 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 4167 - 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 4168 - 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 4171 - 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 4170 - 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 | 0.02 | 0.03 | 0.03 | 0.02 | 0.03 | 0.31 | 0.21 | 0.15 | 0.13 | 0.07 | 0.05 | 0.04 | 0.31 | 0.22 | 0.12 | 0.08 | 0.05 | 0.02 | 0.01 | 1 | 2 | 4 | 8 | 16 | 24 | 47 | 0.00 | 0.00 | 0.01 | 0.01 | 0.01 | 0.01 | 0.02 | 0.00 | 0.00 | 0.03 | 0.02 | 0.02 | 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 -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-protector-strong -fstack-clash-protection | 1 | 0 | 0.7 | 0.01 | 0.65 | 0.01 | 0.48 | 0.02 | 0.39 | 0.02 | 0.48 | 0.01 | 0.48 | 0.02 |
○Loop 2090 - 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 2088 - 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 2094 - 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 2092 - 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 2093 - 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 2091 - 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 | |||||||||||||||||||||||
►Loop 2086 - grid.cpp:816-866 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0.01 | 0 | 0.01 | 0 | 0 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 1 | 2 | 3 | 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 2085 - grid.cpp:816-866 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.03 | 0.02 | 0.02 | 0.01 | 0.01 | 0.01 | 0.01 | 0.03 | 0.02 | 0.01 | 0.01 | 0 | 0 | 0 | 1 | 2 | 4 | 5 | 9 | 12 | 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 | 1 | 0 | 0.75 | 0 | 0.75 | 0 | 0.38 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | |||||||||
○Loop 2084 - 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 | 0 | 0 | 1 | 1 | 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 2087 - grid.cpp:823-829 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.02 | 0.03 | 0.02 | 0.02 | 0.01 | 0.01 | 0 | 0.02 | 0.03 | 0.01 | 0.01 | 0 | 0 | 0 | 1 | 2 | 4 | 5 | 10 | 13 | 12 | 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 | 0.33 | 0 | 0.5 | 0 | 0.25 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | |||||||||
○Loop 2089 - 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 2095 - 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 | |||||||||||||||||||||||
○__atan2f_finite | libm-2.31.so | 0.02 | 0.02 | 0.02 | 0.03 | 0.02 | 0.01 | 0.02 | 0.43 | 0.26 | 0.18 | 0.13 | 0.1 | 0.06 | 0.04 | 0.43 | 0.24 | 0.13 | 0.07 | 0.03 | 0.01 | 0.01 | 1 | 2 | 4 | 8 | 14 | 20 | 33 | 0.00 | 0.00 | 0.01 | 0.01 | 0.02 | 0.02 | 0.02 | 0.00 | 0.02 | 0.05 | 0.03 | 0.03 | 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 | 0.9 | 0 | 0.83 | 0 | 0.77 | 0.01 | 0.9 | 0 | 1.34 | 0 | 0.67 | 0.01 | |
○__exp_finite | libm-2.31.so | 0.02 | 0.03 | 0.06 | 0.11 | 0.2 | 0.3 | 0.53 | 0.32 | 0.3 | 0.35 | 0.36 | 0.37 | 0.36 | 0.38 | 0.33 | 0.3 | 0.33 | 0.32 | 0.3 | 0.27 | 0.27 | 1 | 2 | 4 | 8 | 16 | 32 | 64 | 0.00 | 0.00 | 0.01 | 0.01 | 0.03 | 0.09 | 0.17 | 0.00 | 0.01 | 0.03 | 0.03 | 0.04 | 0.08 | 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 | 0.07 | 0.19 | 0.04 | 0.29 | 0.02 | 0.52 | |
►std::enable_if<(((BondedKernelFlavor)2)!=((BondedKernelFlavor)0))||(!(1)), float>::type (anonymous namespace)::rbdihs<(BondedKernelFlavor)2>(int, int const*, t_iparams const*, float const (*) [3], float (*) [4], float (*) [3], t_pbc const*, flo... | libgromacs_mpi.so.7.0.0 | 0.01 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0.1 | 0.04 | 0.03 | 0.02 | 0.03 | 0.02 | 0.01 | 0.1 | 0.03 | 0.03 | 0.01 | 0.01 | 0 | 0 | 1 | 2 | 4 | 8 | 4 | 8 | 11 | 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 | 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 -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-protector-strong -fstack-clash-protection | 1 | 0 | 1.67 | 0 | 0.83 | 0 | 1.25 | 0 | 0.63 | 0 | 1 | 0 | 1 | 0 |
►Loop 19232 - bonded.cpp:2960-3037 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
►Loop 19230 - bonded.cpp:2960-3032 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 19231 - bonded.cpp:2960-3032 - libgromacs_mpi.so.7.0.0 [...] | 0.01 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0.1 | 0.04 | 0.03 | 0.02 | 0.03 | 0.02 | 0.01 | 0.1 | 0.03 | 0.03 | 0.01 | 0.01 | 0 | 0 | 1 | 2 | 4 | 8 | 3 | 8 | 11 | 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 | 1.67 | 0 | 0.83 | 0 | 1.25 | 0 | 0.63 | 0 | 1 | 0 | 1 | 0 | |||||||||
○__expf_finite | libm-2.31.so | 0.01 | 0.02 | 0.04 | 0.08 | 0.17 | 0.23 | 0.43 | 0.26 | 0.25 | 0.24 | 0.28 | 0.28 | 0.31 | 0.3 | 0.26 | 0.25 | 0.22 | 0.24 | 0.25 | 0.21 | 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 | 0.01 | 0.02 | 0.03 | 0.03 | 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 | 0.52 | 0.01 | 0.3 | 0.03 | 0.14 | 0.07 | 0.07 | 0.16 | 0.04 | 0.22 | 0.02 | 0.42 | |
►void get_cell_range<1>(float, float, Nbnxm::Grid::Dimensions const&, float, float, int*, int*) | libgromacs_mpi.so.7.0.0 | 0.01 | 0.03 | 0.02 | 0.02 | 0.05 | 0.04 | 0.05 | 0.25 | 0.3 | 0.16 | 0.07 | 0.12 | 0.09 | 0.06 | 0.25 | 0.26 | 0.11 | 0.06 | 0.07 | 0.04 | 0.02 | 1 | 2 | 4 | 8 | 16 | 24 | 48 | 0.00 | 0.01 | 0.01 | 0.00 | 0.01 | 0.02 | 0.02 | 0.00 | 0.05 | 0.04 | 0.01 | 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 -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-protector-strong -fstack-clash-protection | 1 | 0 | 0.48 | 0.02 | 0.57 | 0.01 | 0.52 | 0.01 | 0.22 | 0.04 | 0.2 | 0.03 | 0.2 | 0.04 |
►Loop 2960 - pairlist.cpp:273-287 - libgromacs_mpi.so.7.0.0 | 0.01 | 0.02 | 0.01 | 0.01 | 0.03 | 0.02 | 0.02 | 0.12 | 0.17 | 0.07 | 0.04 | 0.07 | 0.05 | 0.04 | 0.12 | 0.16 | 0.05 | 0.03 | 0.04 | 0.02 | 0.01 | 1 | 2 | 4 | 8 | 16 | 24 | 46 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.02 | 0.00 | 0.03 | 0.02 | 0.01 | 0.01 | 0.01 | 0.01 | 1 | 0 | 0.38 | 0.01 | 0.6 | 0 | 0.5 | 0.01 | 0.19 | 0.02 | 0.19 | 0.02 | 0.19 | 0.02 | |||||||||
○Loop 2961 - pairlist.cpp:281-285 - libgromacs_mpi.so.7.0.0 | 0 | 0.01 | 0.01 | 0 | 0.01 | 0.01 | 0.01 | 0.08 | 0.07 | 0.06 | 0.02 | 0.04 | 0.02 | 0.01 | 0.08 | 0.06 | 0.03 | 0.01 | 0.01 | 0.01 | 0 | 1 | 2 | 4 | 7 | 16 | 22 | 36 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.01 | 0.00 | 0.01 | 0.02 | 0.01 | 0.01 | 0.01 | 0.00 | 1 | 0 | 0.67 | 0 | 0.67 | 0 | 1 | 0 | 0.5 | 0.01 | 0.25 | 0.01 | 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 | 0.01 | 0.01 | 0.01 | 0.01 | 0.25 | 0.11 | 0.08 | 0.06 | 0.04 | 0.03 | 0.02 | 0.25 | 0.11 | 0.06 | 0.04 | 0.02 | 0.01 | 0.01 | 1 | 2 | 4 | 8 | 16 | 22 | 37 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 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 -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-protector-strong -fstack-clash-protection | 1 | 0 | 1.14 | 0 | 1.04 | 0 | 0.78 | 0 | 0.78 | 0 | 0.78 | 0 | 0.39 | 0.01 |
○Loop 3912 - 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 | 14 | 17 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
►Loop 3905 - 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 3906 - 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 3909 - 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 | 1 | 0 | 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 | |||||||||||||||||||||||
►Loop 3908 - domdec_constraints.cpp:272-280 - 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 | 1 | 1 | 2 | 1 | 3 | 4 | 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 3907 - 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 5 | 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 3910 - stl_vector.h:919-1798 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.03 | 0.02 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.03 | 0.01 | 0.01 | 0.01 | 0 | 0 | 0 | 1 | 2 | 4 | 7 | 7 | 5 | 6 | 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 3904 - domdec_constraints.cpp:254-264 - libgromacs_mpi.so.7.0.0 [...] | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0 | 0 | 0.15 | 0.06 | 0.05 | 0.04 | 0.02 | 0.01 | 0.01 | 0.15 | 0.05 | 0.04 | 0.02 | 0.01 | 0 | 0 | 1 | 2 | 4 | 8 | 15 | 10 | 14 | 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 | 1 | 0 | 1.5 | 0 | 0.94 | 0 | 0.94 | 0 | 0.94 | 0 | 1 | 0 | 1 | 0 | |||||||||
►Loop 3903 - domdec_constraints.cpp:230-480 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.06 | 0.05 | 0.02 | 0.01 | 0.01 | 0.01 | 0 | 0.06 | 0.04 | 0.01 | 0.01 | 0 | 0 | 0 | 1 | 2 | 3 | 4 | 7 | 9 | 14 | 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 | 1 | 0 | 0.75 | 0 | 1.5 | 0 | 0.75 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | |||||||||
○Loop 3911 - mtop_lookup.h:93-106 - libgromacs_mpi.so.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 | 2 | 1 | 2 | 2 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 3902 - 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 | |||||||||||||||||||||||
►dd_redistribute_cg(_IO_FILE*, long, gmx_domdec_t*, int*, t_state*, t_forcerec*, t_nrnb*, int*) [clone ._omp_fn.0] | libgromacs_mpi.so.7.0.0 | 0.01 | 0 | 0.01 | 0.01 | 0.01 | 0 | 0 | 0.11 | 0.05 | 0.03 | 0.02 | 0.02 | 0.01 | 0.01 | 0.1 | 0.04 | 0.03 | 0.02 | 0.01 | 0 | 0 | 1 | 2 | 4 | 8 | 14 | 12 | 19 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.01 | 0.00 | 0.01 | 0.01 | 0.00 | 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 -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-protector-strong -fstack-clash-protection | 1 | 0 | 1.25 | 0 | 0.83 | 0 | 0.63 | 0 | 0.63 | 0 | 1 | 0 | 1 | 0 |
►Loop 4392 - redistribute.cpp:74-532 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
►Loop 4389 - redistribute.cpp:74-532 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 4394 - redistribute.cpp:74-306 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 4390 - redistribute.cpp:517-517 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 4391 - redistribute.cpp:521-521 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
►Loop 4383 - redistribute.cpp:74-669 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.08 | 0.02 | 0.01 | 0.01 | 0.01 | 0.01 | 0 | 0.08 | 0.02 | 0.01 | 0.01 | 0 | 0 | 0 | 1 | 2 | 4 | 5 | 4 | 3 | 4 | 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 | 1 | 0 | 2 | 0 | 2 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | |||||||||
○Loop 4384 - redistribute.cpp:414-414 - libgromacs_mpi.so.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 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 4385 - redistribute.cpp:419-419 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
►Loop 4386 - redistribute.cpp:74-669 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0.01 | 0 | 0 | 0.01 | 0.02 | 0.02 | 0.01 | 0.02 | 0.01 | 0.01 | 0.01 | 0.02 | 0.02 | 0.01 | 0.01 | 0 | 0 | 1 | 2 | 4 | 7 | 14 | 10 | 15 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 4387 - redistribute.cpp:338-669 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 4388 - redistribute.cpp:74-306 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 4393 - redistribute.cpp:543-548 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○pthread_attr_setschedparam | libc-2.31.so | 0.01 | 0.01 | 0.03 | 0.05 | 0.11 | 0.04 | 0.08 | 0.17 | 0.14 | 0.18 | 0.2 | 0.2 | 0.16 | 0.2 | 0.17 | 0.14 | 0.15 | 0.15 | 0.16 | 0.04 | 0.04 | 1 | 2 | 4 | 8 | 16 | 24 | 48 | 0.00 | 0.00 | 0.01 | 0.01 | 0.01 | 0.08 | 0.15 | 0.00 | 0.00 | 0.03 | 0.03 | 0.02 | 0.07 | 0.07 | Math (%): 91.18 Pthread (%): 5.88 OMP (%): 2.94 | Math (%): 89.47 Pthread (%): 8.77 OMP (%): 1.75 | Math (%): 93.44 Pthread (%): 5.74 OMP (%): 0.82 | Math (%): 91.77 OMP (%): 3.29 Pthread (%): 2.88 MPI (%): 2.06 | Math (%): 92.79 Pthread (%): 4.21 MPI (%): 1.80 OMP (%): 1.20 | Math (%): 86.67 OMP (%): 7.06 Pthread (%): 3.92 MPI (%): 2.35 | Math (%): 86.96 OMP (%): 5.96 MPI (%): 4.10 Pthread (%): 2.98 | 1 | 0 | 0.61 | 0 | 0.28 | 0.02 | 0.14 | 0.04 | 0.07 | 0.1 | 0.13 | 0.03 | 0.07 | 0.07 | |
►gmx::set_lincs(InteractionDefinitions const&, int, gmx::ArrayRef<float const>, float, bool, t_commrec const*, gmx::Lincs*) [clone ._omp_fn.0] | libgromacs_mpi.so.7.0.0 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.1 | 0.1 | 0.04 | 0.05 | 0.03 | 0.04 | 0.02 | 0.1 | 0.07 | 0.04 | 0.03 | 0.01 | 0.01 | 0 | 1 | 2 | 4 | 8 | 11 | 15 | 26 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.04 | 0.00 | 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 -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-protector-strong -fstack-clash-protection | 1 | 0 | 0.71 | 0 | 0.63 | 0 | 0.42 | 0.01 | 0.63 | 0 | 0.31 | 0.01 | 1 | 0 |
►Loop 17056 - stl_algo.h:1803-1954 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 17062 - stl_algo.h:1806-1846 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
►Loop 17060 - stl_algo.h:1803-1846 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 17061 - stl_algo.h:1806-1808 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
►Loop 17052 - lincs.cpp:1936-2210 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0.01 | 0.01 | 0.01 | 0 | 0 | 0.01 | 0.08 | 0.09 | 0.04 | 0.05 | 0.02 | 0.03 | 0.02 | 0.07 | 0.06 | 0.03 | 0.02 | 0.01 | 0 | 0 | 1 | 2 | 4 | 8 | 10 | 11 | 23 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.05 | 0.01 | 0.01 | 0.00 | 0.01 | 0.00 | 1 | 0 | 0.58 | 0 | 0.58 | 0 | 0.44 | 0.01 | 0.44 | 0 | 1 | 0 | 1 | 0 | |||||||||
○Loop 17054 - lincs.cpp:1942-1947 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0.02 | 0.01 | 0 | 0.01 | 0.01 | 0 | 0.01 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 1 | 2 | 3 | 0 | 6 | 7 | 8 | 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 17053 - lincs.cpp:1950-1955 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.02 | 0 | 0 | 0.01 | 0 | 0.01 | 0 | 0.02 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 2 | 1 | 7 | 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 17055 - lincs.cpp:1936-2210 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
►Loop 17057 - stl_iterator.h:1034-1048 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 17058 - stl_algo.h:1806-1808 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
►Loop 17059 - stl_algo.h:1806-1831 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 17063 - stl_algo.h:1806-1808 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
►Nbnxm::sort_atoms(int, bool, int, bool, int*, int, gmx::ArrayRef<gmx::BasicVector<float> const>, float, float, int, gmx::ArrayRef<int>) [clone .constprop.2] [clone .isra.0] | libgromacs_mpi.so.7.0.0 | 0.01 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.28 | 0.16 | 0.14 | 0.07 | 0.06 | 0.05 | 0.04 | 0.28 | 0.16 | 0.1 | 0.05 | 0.04 | 0.02 | 0.01 | 1 | 2 | 4 | 8 | 16 | 24 | 46 | 0.00 | 0.00 | 0.01 | 0.00 | 0.01 | 0.01 | 0.02 | 0.00 | 0.01 | 0.04 | 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 -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-protector-strong -fstack-clash-protection | 1 | 0 | 0.88 | 0 | 0.7 | 0.01 | 0.7 | 0.01 | 0.44 | 0.01 | 0.44 | 0.01 | 0.44 | 0.01 |
○Loop 2081 - grid.cpp:415-420 - libgromacs_mpi.so.7.0.0 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.19 | 0.09 | 0.09 | 0.05 | 0.04 | 0.04 | 0.03 | 0.19 | 0.08 | 0.06 | 0.03 | 0.02 | 0.01 | 0.01 | 1 | 2 | 4 | 8 | 14 | 24 | 41 | 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 | 1 | 0 | 1.19 | 0 | 0.79 | 0 | 0.79 | 0 | 0.59 | 0 | 0.59 | 0 | 0.3 | 0.01 | |||||||||
►Loop 2083 - grid.cpp:329-407 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.06 | 0.04 | 0.04 | 0.03 | 0.01 | 0.02 | 0.02 | 0.06 | 0.04 | 0.02 | 0.01 | 0.01 | 0 | 0 | 1 | 2 | 4 | 7 | 12 | 15 | 22 | 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 | 0.75 | 0 | 0.75 | 0 | 0.75 | 0 | 0.38 | 0 | 1 | 0 | 1 | 0 | |||||||||
○Loop 2082 - grid.cpp:385-387 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.02 | 0.04 | 0.02 | 0.02 | 0.01 | 0.01 | 0.01 | 0.02 | 0.03 | 0.01 | 0.01 | 0 | 0 | 0 | 1 | 2 | 4 | 6 | 9 | 8 | 10 | 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 | 1 | 0 | 0.33 | 0 | 0.5 | 0 | 0.25 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | |||||||||
►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 | 0.01 | 0.03 | 0.04 | 0.05 | 0.05 | 0.05 | 0.04 | 0.28 | 0.32 | 0.25 | 0.22 | 0.17 | 0.1 | 0.06 | 0.28 | 0.32 | 0.2 | 0.14 | 0.08 | 0.05 | 0.02 | 1 | 2 | 4 | 8 | 16 | 24 | 46 | 0.00 | 0.00 | 0.01 | 0.02 | 0.02 | 0.02 | 0.03 | 0.00 | 0.00 | 0.06 | 0.05 | 0.04 | 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 -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-protector-strong -fstack-clash-protection | 1 | 0 | 0.44 | 0.02 | 0.35 | 0.03 | 0.25 | 0.04 | 0.22 | 0.04 | 0.18 | 0.04 | 0.22 | 0.03 |
○Loop 17438 - sim_util.cpp:466-466 - libgromacs_mpi.so.7.0.0 [...] | 0.01 | 0.03 | 0.04 | 0.05 | 0.04 | 0.05 | 0.03 | 0.23 | 0.29 | 0.22 | 0.2 | 0.15 | 0.1 | 0.06 | 0.23 | 0.28 | 0.19 | 0.13 | 0.07 | 0.04 | 0.02 | 1 | 2 | 4 | 8 | 16 | 24 | 44 | 0.00 | 0.00 | 0.01 | 0.02 | 0.02 | 0.02 | 0.02 | 0.00 | 0.02 | 0.04 | 0.05 | 0.03 | 0.02 | 0.01 | 1 | 0 | 0.41 | 0.02 | 0.3 | 0.03 | 0.22 | 0.04 | 0.21 | 0.03 | 0.18 | 0.04 | 0.18 | 0.02 | |||||||||
○Loop 17436 - sim_util.cpp:466-466 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0.01 | 0 | 0 | 0.04 | 0.05 | 0.02 | 0.02 | 0.02 | 0.01 | 0 | 0.04 | 0.04 | 0.01 | 0.01 | 0.01 | 0 | 0 | 1 | 2 | 3 | 8 | 14 | 12 | 13 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.02 | 0.01 | 0.00 | 0.01 | 0.00 | 0.00 | 1 | 0 | 0.5 | 0 | 1 | 0 | 0.5 | 0 | 0.25 | 0.01 | 1 | 0 | 1 | 0 | |||||||||
○Loop 17435 - 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 | 1 | 0 | 0 | 2 | 1 | 0 | 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 17437 - 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 | 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 | |||||||||||||||||||||||
►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 | 0 | 0 | 0.01 | 0.01 | 0.25 | 0.09 | 0.03 | 0.02 | 0.03 | 0.03 | 0.02 | 0.25 | 0.09 | 0.03 | 0.01 | 0.01 | 0 | 0 | 1 | 2 | 4 | 6 | 6 | 10 | 14 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 0.01 | 0.00 | 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 -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-protector-strong -fstack-clash-protection | 1 | 0 | 1.39 | 0 | 2.08 | 0 | 3.13 | 0 | 1.56 | 0 | 1 | 0 | 1 | 0 |
►Loop 19246 - 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 19244 - bonded.cpp:1825-2325 - libgromacs_mpi.so.7.0.0 [...] | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0.19 | 0.07 | 0.01 | 0.01 | 0.02 | 0.01 | 0.01 | 0.19 | 0.07 | 0.01 | 0 | 0 | 0 | 0 | 1 | 2 | 4 | 4 | 5 | 5 | 7 | 0.00 | 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 | 1 | 0 | 1.36 | 0 | 4.75 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | |||||||||
○Loop 19245 - bonded.cpp:1825-2325 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.05 | 0.02 | 0.01 | 0.01 | 0.01 | 0.02 | 0.02 | 0.05 | 0.02 | 0.01 | 0.01 | 0 | 0 | 0 | 1 | 2 | 4 | 6 | 5 | 9 | 14 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 1 | 0 | 1.25 | 0 | 1.25 | 0 | 0.63 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | |||||||||
○erfcf | libm-2.31.so | 0.01 | 0.02 | 0.03 | 0.06 | 0.12 | 0.17 | 0.3 | 0.13 | 0.2 | 0.2 | 0.21 | 0.2 | 0.23 | 0.23 | 0.13 | 0.18 | 0.17 | 0.17 | 0.17 | 0.15 | 0.15 | 1 | 2 | 4 | 8 | 16 | 32 | 64 | 0.00 | 0.00 | 0.00 | 0.01 | 0.02 | 0.05 | 0.10 | 0.00 | 0.04 | 0.03 | 0.02 | 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 | 0.36 | 0.01 | 0.19 | 0.02 | 0.1 | 0.05 | 0.05 | 0.11 | 0.03 | 0.17 | 0.01 | 0.3 | |
►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 | 0.19 | 0.1 | 0.04 | 0.04 | 0.03 | 0.02 | 0.02 | 0.19 | 0.08 | 0.03 | 0.02 | 0.01 | 0.01 | 0 | 1 | 2 | 4 | 8 | 12 | 20 | 25 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.02 | 0.01 | 0.02 | 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 -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-protector-strong -fstack-clash-protection | 1 | 0 | 1.19 | 0 | 1.58 | 0 | 1.19 | 0 | 1.19 | 0 | 0.59 | 0 | 1 | 0 |
○Loop 3889 - 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 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 3891 - 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 | 0.01 | 0.01 | 0 | 0.04 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 1 | 2 | 2 | 3 | 5 | 2 | 6 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | |||||||||||||||||||||||
►Loop 3890 - domdec_constraints.cpp:314-375 - libgromacs_mpi.so.7.0.0 [...] | 0.01 | 0 | 0 | 0.01 | 0 | 0 | 0 | 0.11 | 0.05 | 0.03 | 0.03 | 0.01 | 0.01 | 0 | 0.11 | 0.04 | 0.02 | 0.02 | 0.01 | 0 | 0 | 1 | 2 | 4 | 6 | 9 | 14 | 8 | 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 | 1.38 | 0 | 1.38 | 0 | 0.69 | 0 | 0.69 | 0 | 1 | 0 | 1 | 0 | |||||||||
►Loop 3892 - domdec_constraints.cpp:314-338 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.04 | 0.03 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.04 | 0.03 | 0.01 | 0.01 | 0 | 0 | 0 | 1 | 2 | 3 | 4 | 8 | 6 | 13 | 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 | 0.67 | 0 | 1 | 0 | 0.5 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | |||||||||
○Loop 3893 - mtop_lookup.h:93-106 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 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 | |||||||||||||||||||||||
►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 | 0.02 | 0.03 | 0.14 | 0.13 | 0.09 | 0.07 | 0.04 | 0.05 | 0.04 | 0.14 | 0.13 | 0.07 | 0.05 | 0.03 | 0.02 | 0.02 | 1 | 2 | 4 | 8 | 16 | 24 | 48 | 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 | 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 -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-protector-strong -fstack-clash-protection | 1 | 0 | 0.54 | 0 | 0.5 | 0.01 | 0.35 | 0.01 | 0.29 | 0.01 | 0.22 | 0.02 | 0.11 | 0.03 |
►Loop 17142 - mdatoms.cpp:327-497 - libgromacs_mpi.so.7.0.0 [...] | 0.01 | 0.01 | 0.01 | 0.02 | 0.02 | 0.02 | 0.03 | 0.13 | 0.11 | 0.07 | 0.07 | 0.04 | 0.05 | 0.04 | 0.13 | 0.11 | 0.06 | 0.05 | 0.02 | 0.02 | 0.02 | 1 | 2 | 4 | 8 | 16 | 24 | 47 | 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 | 0.59 | 0 | 0.54 | 0 | 0.33 | 0.01 | 0.41 | 0.01 | 0.2 | 0.02 | 0.1 | 0.03 | |||||||||
○Loop 17143 - 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 | 7 | 3 | 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 | |||||||||||||||||||||||
►energyDriftAtomPair(bool, bool, float, float, float, float, pot_derivatives_t const*) | libgromacs_mpi.so.7.0.0 | 0.01 | 0.01 | 0.02 | 0.04 | 0.08 | 0.11 | 0.19 | 0.13 | 0.13 | 0.14 | 0.13 | 0.14 | 0.15 | 0.15 | 0.13 | 0.12 | 0.11 | 0.11 | 0.11 | 0.09 | 0.09 | 1 | 2 | 4 | 8 | 16 | 32 | 64 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.04 | 0.07 | 0.00 | 0.02 | 0.02 | 0.01 | 0.02 | 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 -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-protector-strong -fstack-clash-protection | 1 | 0 | 0.54 | 0 | 0.3 | 0.01 | 0.15 | 0.03 | 0.07 | 0.07 | 0.05 | 0.11 | 0.02 | 0.19 |
○Loop 16347 - cmath:464-1325 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0.01 | 0.02 | 0.02 | 0.03 | 0.02 | 0.03 | 0.02 | 0.04 | 0.04 | 0.04 | 0.04 | 0.02 | 0.03 | 0.01 | 0.02 | 0.02 | 0.02 | 0.01 | 1 | 2 | 4 | 8 | 16 | 31 | 59 | 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 | 0.33 | 0 | 0.5 | 0 | 0.13 | 0.01 | 0.06 | 0.02 | 0.03 | 0.02 | 0.03 | 0.03 | |||||||||
○sloejit::function::finalise(sloejit::stack_frame_info const*) | libarmpl.so | 0.01 | 0.02 | 0.04 | 0.07 | 0.13 | 0.05 | 0.09 | 0.2 | 0.2 | 0.22 | 0.23 | 0.24 | 0.22 | 0.22 | 0.2 | 0.2 | 0.2 | 0.19 | 0.19 | 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 | 0.00 | 0.03 | 0.02 | 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 | 0.5 | 0.01 | 0.25 | 0.03 | 0.13 | 0.06 | 0.07 | 0.12 | 0.13 | 0.04 | 0.06 | 0.08 | |
►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 | 0.11 | 0.07 | 0.04 | 0.04 | 0.02 | 0.06 | 0.02 | 0.11 | 0.06 | 0.04 | 0.03 | 0.01 | 0.01 | 0 | 1 | 2 | 4 | 8 | 16 | 8 | 13 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.02 | 0.01 | 0.00 | 0.01 | 0.00 | 0.01 | 0.01 | 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 -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-protector-strong -fstack-clash-protection | 1 | 0 | 0.92 | 0 | 0.69 | 0 | 0.46 | 0.01 | 0.69 | 0 | 0.34 | 0.01 | 1 | 0 |
►Loop 19615 - 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 | 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 19612 - 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 19614 - 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 | 1 | 3 | 1 | 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 | |||||||||||||||||||||||
○Loop 19613 - pme_grid.cpp:520-522 - libgromacs_mpi.so.7.0.0 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0 | 0.11 | 0.07 | 0.03 | 0.04 | 0.02 | 0.06 | 0.02 | 0.11 | 0.06 | 0.03 | 0.03 | 0.01 | 0.01 | 0 | 1 | 2 | 4 | 8 | 16 | 8 | 13 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.02 | 0.01 | 0.00 | 0.02 | 0.00 | 0.01 | 0.01 | 0.02 | 0.01 | 1 | 0 | 0.92 | 0 | 0.92 | 0 | 0.46 | 0.01 | 0.69 | 0 | 0.34 | 0.01 | 1 | 0 | |||||||||
○Loop 19611 - 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 | |||||||||||||||||||||||
►setup_bonded_threading(bonded_threading_t*, int, bool, InteractionDefinitions const&) [clone ._omp_fn.0] | libgromacs_mpi.so.7.0.0 | 0.01 | 0 | 0 | 0.01 | 0.01 | 0 | 0 | 0.12 | 0.04 | 0.03 | 0.03 | 0.02 | 0.01 | 0.01 | 0.12 | 0.03 | 0.03 | 0.01 | 0.01 | 0 | 0 | 1 | 2 | 4 | 8 | 10 | 17 | 18 | 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 | 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 -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-protector-strong -fstack-clash-protection | 1 | 0 | 2 | 0 | 1 | 0 | 1.5 | 0 | 0.75 | 0 | 1 | 0 | 1 | 0 |
►Loop 19331 - 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 19332 - 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 | 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 19333 - 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 | 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 19335 - manage_threading.cpp:363-365 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.08 | 0.03 | 0.02 | 0.01 | 0.02 | 0.01 | 0.01 | 0.07 | 0.02 | 0.02 | 0.01 | 0 | 0 | 0 | 1 | 2 | 4 | 7 | 6 | 10 | 11 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.01 | 0.00 | 0.00 | 1 | 0 | 1.75 | 0 | 0.88 | 0 | 0.88 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | |||||||||
○Loop 19334 - manage_threading.cpp:365-365 - 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 | 0.01 | 0.01 | 0 | 0 | 0 | 1 | 2 | 3 | 6 | 9 | 11 | 12 | 0.00 | 0.00 | 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<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 | 0.01 | 0.02 | 0.02 | 0.2 | 0.09 | 0.06 | 0.03 | 0.04 | 0.03 | 0.03 | 0.2 | 0.07 | 0.05 | 0.02 | 0.02 | 0.02 | 0.01 | 1 | 2 | 4 | 8 | 16 | 24 | 45 | 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 | 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 -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-protector-strong -fstack-clash-protection | 1 | 0 | 1.43 | 0 | 1 | 0 | 1.25 | 0 | 0.63 | 0 | 0.31 | 0.01 | 0.31 | 0.01 |
►Loop 2962 - pairlist.cpp:273-287 - libgromacs_mpi.so.7.0.0 | 0.01 | 0 | 0.01 | 0 | 0.01 | 0.01 | 0.01 | 0.1 | 0.05 | 0.04 | 0.02 | 0.02 | 0.03 | 0.02 | 0.1 | 0.04 | 0.03 | 0.01 | 0.01 | 0.01 | 0.01 | 1 | 2 | 4 | 7 | 16 | 24 | 39 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.03 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 1 | 0 | 1.25 | 0 | 0.83 | 0 | 1.25 | 0 | 0.63 | 0 | 0.31 | 0.01 | 0.16 | 0.01 | |||||||||
○Loop 2963 - pairlist.cpp:281-285 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.08 | 0.01 | 0.03 | 0.01 | 0.01 | 0.01 | 0.01 | 0.07 | 0.01 | 0.02 | 0.01 | 0.01 | 0 | 0 | 1 | 2 | 3 | 7 | 9 | 14 | 19 | 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 | 3.5 | 0 | 0.88 | 0 | 0.88 | 0 | 0.44 | 0 | 1 | 0 | 1 | 0 | |||||||||
○__acosf_finite | libm-2.31.so | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.17 | 0.1 | 0.09 | 0.05 | 0.05 | 0.02 | 0.01 | 0.17 | 0.08 | 0.05 | 0.02 | 0.01 | 0.01 | 0 | 1 | 2 | 4 | 7 | 10 | 18 | 22 | 0.00 | 0.00 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.04 | 0.03 | 0.02 | 0.01 | 0.01 | 0.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | 1 | 0 | 1.06 | 0 | 0.85 | 0 | 1.06 | 0 | 1.06 | 0 | 0.53 | 0 | 1 | 0 | |
►unwrap_periodic_pmegrid(gmx_pme_t*, float*) [clone ._omp_fn.1] | libgromacs_mpi.so.7.0.0 | 0.01 | 0.02 | 0.03 | 0.03 | 0.04 | 0.02 | 0.02 | 0.29 | 0.19 | 0.19 | 0.11 | 0.08 | 0.08 | 0.07 | 0.3 | 0.2 | 0.14 | 0.08 | 0.06 | 0.02 | 0.01 | 1 | 2 | 4 | 8 | 16 | 8 | 16 | 0.00 | 0.00 | 0.01 | 0.01 | 0.01 | 0.02 | 0.04 | 0.00 | 0.00 | 0.03 | 0.02 | 0.02 | 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 -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-protector-strong -fstack-clash-protection | 1 | 0 | 0.75 | 0.01 | 0.54 | 0.01 | 0.47 | 0.02 | 0.31 | 0.03 | 0.47 | 0.01 | 0.47 | 0.01 |
►Loop 19620 - 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 | 1 | 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 19617 - pme_grid.cpp:529-539 - libgromacs_mpi.so.7.0.0 [...] | 0.01 | 0.02 | 0.02 | 0.03 | 0.03 | 0.02 | 0.02 | 0.26 | 0.17 | 0.18 | 0.1 | 0.08 | 0.07 | 0.06 | 0.25 | 0.17 | 0.12 | 0.07 | 0.05 | 0.01 | 0.01 | 1 | 2 | 4 | 8 | 16 | 8 | 16 | 0.00 | 0.00 | 0.01 | 0.01 | 0.01 | 0.02 | 0.03 | 0.00 | 0.00 | 0.04 | 0.02 | 0.02 | 0.02 | 0.01 | 1 | 0 | 0.74 | 0.01 | 0.52 | 0.01 | 0.45 | 0.02 | 0.31 | 0.02 | 0.78 | 0 | 0.39 | 0.01 | |||||||||
►Loop 19619 - pme_grid.cpp:535-539 - libgromacs_mpi.so.7.0.0 | 0 | 0 | 0 | 0 | 0.01 | 0 | 0 | 0.04 | 0.03 | 0.03 | 0.02 | 0.01 | 0 | 0.01 | 0.04 | 0.03 | 0.02 | 0.01 | 0.01 | 0 | 0 | 1 | 2 | 4 | 8 | 12 | 6 | 13 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 0.00 | 1 | 0 | 0.67 | 0 | 0.5 | 0 | 0.5 | 0 | 0.25 | 0.01 | 1 | 0 | 1 | 0 | |||||||||
○Loop 19618 - 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 | |||||||||||||||||||||||
○Loop 19616 - 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 | |||||||||||||||||||||||
○opal_shmem_unlink | libopen-pal.so.40.20.3 | 0 | 0.03 | 0.1 | 0.09 | 0.12 | 0.52 | 0.5 | 0 | 0.42 | 0.88 | 0.46 | 0.28 | 1.41 | 0.58 | 0 | 0.3 | 0.52 | 0.24 | 0.18 | 0.46 | 0.25 | 0 | 2 | 4 | 8 | 16 | 32 | 64 | 0.00 | 0.02 | 0.06 | 0.05 | 0.03 | 0.60 | 0.32 | 0.00 | 0.18 | 0.30 | 0.14 | 0.05 | 0.52 | 0.15 | 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 | 0.05 | 0.04 | 0.05 | 0.02 | 0.04 | 0.03 | 0 | 0.05 | 0.04 | 0.02 | 0.01 | 0.01 | 0.01 | 0 | 2 | 4 | 8 | 15 | 21 | 33 | 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 | 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 -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-protector-strong -fstack-clash-protection | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
►Loop 4149 - stl_algo.h:568-577 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0 | 0.01 | 0 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 2 | 3 | 3 | 5 | 8 | 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 4150 - stl_algo.h:568-577 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.02 | 0.02 | 0.01 | 0.01 | 0.01 | 0.01 | 0 | 0.02 | 0.02 | 0.01 | 0 | 0 | 0 | 0 | 2 | 4 | 7 | 7 | 14 | 20 | 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 4146 - localtopology.cpp:108-698 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0.01 | 0.01 | 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 | 2 | 4 | 8 | 14 | 15 | 23 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | |||||||||
○Loop 4148 - 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 4147 - 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 | 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 | |||||||||||||||||||||||
►dd_pmeredist_f(gmx_pme_t*, PmeAtomComm*, gmx::ArrayRef<gmx::BasicVector<float> >, bool) | libgromacs_mpi.so.7.0.0 | 0 | 0.09 | 0.1 | 0.12 | 0.14 | 0.08 | 0.1 | 0 | 1 | 0.65 | 0.47 | 0.28 | 0.35 | 0.26 | 0 | 0.89 | 0.54 | 0.34 | 0.21 | 0.07 | 0.05 | 0 | 2 | 4 | 8 | 16 | 8 | 16 | 0.00 | 0.02 | 0.02 | 0.02 | 0.03 | 0.07 | 0.06 | 0.00 | 0.16 | 0.13 | 0.06 | 0.04 | 0.06 | 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 -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-protector-strong -fstack-clash-protection | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
►Loop 19758 - pme_redistribute.cpp:428-467 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 2 | 7 | 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 19761 - arrayref.h:82-82 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0.04 | 0.04 | 0.04 | 0.01 | 0 | 0 | 0 | 0.41 | 0.29 | 0.13 | 0.03 | 0 | 0 | 0 | 0.38 | 0.22 | 0.11 | 0.02 | 0 | 0 | 0 | 2 | 4 | 8 | 15 | 0 | 0 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.05 | 0.05 | 0.02 | 0.01 | 0.00 | 0.00 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | |||||||||
○Loop 19760 - stl_vector.h:1046-1046 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0.01 | 0.02 | 0.05 | 0 | 0 | 0 | 0.04 | 0.08 | 0.09 | 0.11 | 0 | 0 | 0 | 0.03 | 0.04 | 0.05 | 0.08 | 0 | 0 | 0 | 2 | 4 | 7 | 16 | 0 | 0 | 0.00 | 0.00 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 0.00 | 0.02 | 0.03 | 0.02 | 0.02 | 0.00 | 0.00 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | |||||||||
○Loop 19759 - pme_redistribute.cpp:431-444 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0.05 | 0.05 | 0.07 | 0.07 | 0 | 0 | 0 | 0.52 | 0.33 | 0.25 | 0.17 | 0 | 0 | 0 | 0.47 | 0.26 | 0.18 | 0.11 | 0 | 0 | 0 | 2 | 4 | 8 | 16 | 0 | 0 | 0.00 | 0.01 | 0.01 | 0.01 | 0.02 | 0.00 | 0.00 | 0.00 | 0.08 | 0.06 | 0.04 | 0.03 | 0.00 | 0.00 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | |||||||||
○Loop 19763 - pme_redistribute.cpp:261-425 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 9 | 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 19762 - pme_redistribute.cpp:450-463 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0.08 | 0.1 | 0 | 0 | 0 | 0 | 0 | 0.35 | 0.25 | 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 | 0.07 | 0.06 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.06 | 0.03 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | |||||||||
►gmx_sum_qgrid_dd(gmx_pme_t*, float*, int) | libgromacs_mpi.so.7.0.0 | 0 | 0.01 | 0.01 | 0.03 | 0.05 | 0.02 | 0.04 | 0 | 0.1 | 0.1 | 0.13 | 0.11 | 0.12 | 0.11 | 0 | 0.08 | 0.08 | 0.09 | 0.08 | 0.02 | 0.02 | 0 | 2 | 4 | 8 | 16 | 8 | 16 | 0.00 | 0.00 | 0.01 | 0.01 | 0.01 | 0.02 | 0.04 | 0.00 | 0.03 | 0.03 | 0.03 | 0.02 | 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 -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-protector-strong -fstack-clash-protection | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
►Loop 19627 - pme_grid.cpp:80-172 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 19628 - 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 19625 - 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 19629 - 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 19631 - pme_grid.cpp:100-166 - 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 19630 - 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 19632 - 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 19633 - 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 19626 - 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 19621 - stl_vector.h:919-1169 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0.01 | 0.02 | 0.01 | 0 | 0 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 3 | 5 | 7 | 4 | 10 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.01 | 0.00 | |||||||||||||||||||||||
○Loop 19622 - 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 | |||||||||||||||||||||||
○Loop 19634 - 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 19624 - 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 19623 - pme_grid.cpp:254-256 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0.01 | 0.01 | 0.03 | 0.05 | 0.02 | 0.04 | 0 | 0.08 | 0.08 | 0.11 | 0.11 | 0.08 | 0.1 | 0 | 0.07 | 0.06 | 0.08 | 0.07 | 0.01 | 0.02 | 0 | 2 | 4 | 8 | 16 | 8 | 16 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.02 | 0.04 | 0.00 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 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 | 0.03 | 0.12 | 0.07 | 0.15 | 0 | 0.06 | 0.06 | 0.11 | 0.22 | 0.12 | 0.21 | 0 | 0.05 | 0.06 | 0.09 | 0.17 | 0.06 | 0.08 | 0 | 2 | 4 | 8 | 16 | 32 | 64 | 0.00 | 0.00 | 0.00 | 0.01 | 0.02 | 0.03 | 0.10 | 0.00 | 0.01 | 0.01 | 0.02 | 0.02 | 0.02 | 0.05 | 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 | 0.1 | 0.15 | 0.14 | 0.15 | 0 | 0.29 | 0.32 | 0.33 | 0.28 | 0.23 | 0.14 | 0 | 0.28 | 0.26 | 0.27 | 0.23 | 0.12 | 0.08 | 0 | 2 | 4 | 8 | 16 | 24 | 48 | 0.00 | 0.00 | 0.01 | 0.02 | 0.02 | 0.04 | 0.05 | 0.00 | 0.03 | 0.06 | 0.05 | 0.03 | 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 -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-protector-strong -fstack-clash-protection | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
○Loop 3851 - domdec.cpp:428-432 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0.02 | 0.04 | 0.09 | 0.14 | 0.13 | 0.13 | 0 | 0.29 | 0.27 | 0.31 | 0.24 | 0.22 | 0.14 | 0 | 0.24 | 0.24 | 0.25 | 0.2 | 0.11 | 0.07 | 0 | 2 | 4 | 8 | 16 | 24 | 48 | 0.00 | 0.01 | 0.01 | 0.02 | 0.02 | 0.03 | 0.05 | 0.00 | 0.08 | 0.04 | 0.04 | 0.03 | 0.03 | 0.02 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | |||||||||
○Loop 3852 - 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 3846 - domdec.cpp:379-476 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0 | 0 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 0.01 | 0 | 0 | 0 | 0 | 1 | 3 | 11 | 9 | 21 | 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 3847 - domdec_internal.h:352-373 - 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 | 1 | 0 | 2 | 3 | 13 | 21 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
►Loop 3849 - 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 3850 - 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 3848 - domdec.cpp:439-448 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0.01 | 0 | 0 | 0 | 0.06 | 0.05 | 0.05 | 0.04 | 0.02 | 0.02 | 0 | 0.03 | 0.01 | 0.01 | 0.01 | 0 | 0 | 0 | 1 | 1 | 1 | 7 | 9 | 10 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.01 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | |||||||||
○Loop 3845 - 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 | |||||||||||||||||||||||
○ompi_sync_wait_mt | libopen-pal.so.40.20.3 | 0 | 0.01 | 0.01 | 0.02 | 0.03 | 0.07 | 0.07 | 0 | 0.14 | 0.11 | 0.09 | 0.07 | 0.22 | 0.1 | 0 | 0.09 | 0.06 | 0.05 | 0.04 | 0.06 | 0.03 | 0 | 2 | 4 | 8 | 16 | 32 | 64 | 0.00 | 0.01 | 0.01 | 0.01 | 0.01 | 0.08 | 0.05 | 0.00 | 0.08 | 0.05 | 0.03 | 0.02 | 0.07 | 0.03 | NA | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | |||||||
○ompi_coll_libnbc_progress | mca_coll_libnbc.so | 0 | 0.02 | 0.04 | 0.04 | 0.07 | 0.22 | 0.23 | 0 | 0.3 | 0.36 | 0.2 | 0.15 | 0.65 | 0.65 | 0 | 0.18 | 0.21 | 0.12 | 0.1 | 0.2 | 0.11 | 0 | 2 | 4 | 8 | 16 | 32 | 64 | 0.00 | 0.02 | 0.02 | 0.02 | 0.02 | 0.26 | 0.20 | 0.00 | 0.17 | 0.13 | 0.05 | 0.04 | 0.22 | 0.09 | 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_poll_handle_frag | mca_btl_vader.so | 0 | 0.36 | 1.52 | 2.51 | 6.07 | 17.49 | 21.49 | 0 | 5.31 | 13.68 | 12.13 | 12 | 47.57 | 27.64 | 0 | 3.72 | 8.06 | 6.97 | 9.03 | 15.62 | 10.75 | 0 | 2 | 4 | 8 | 16 | 32 | 64 | 0.00 | 0.22 | 0.85 | 1.22 | 1.18 | 21.05 | 20.18 | 0.00 | 2.25 | 4.53 | 3.39 | 1.76 | 18.31 | 9.61 | NA | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | |||||||
►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 | 0.14 | 0.15 | 0.14 | 0.14 | 0.11 | 0.1 | 0 | 1.51 | 0.87 | 0.44 | 0.26 | 0.45 | 0.31 | 0 | 1.49 | 0.78 | 0.38 | 0.21 | 0.1 | 0.05 | 0 | 2 | 4 | 8 | 16 | 8 | 16 | 0.00 | 0.00 | 0.01 | 0.02 | 0.02 | 0.05 | 0.10 | 0.00 | 0.02 | 0.06 | 0.05 | 0.04 | 0.04 | 0.05 | 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 -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-protector-strong -fstack-clash-protection | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
►Loop 19756 - 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 19757 - 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 | |||||||||||||||||||||||
►Loop 19754 - pme_redistribute.cpp:81-134 - 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 | 0.01 | 0 | 0 | 0 | 0 | 1 | 1 | 7 | 4 | 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 19755 - pme_redistribute.cpp:96-103 - libgromacs_mpi.so.7.0.0 | 0 | 0.14 | 0.15 | 0.14 | 0.14 | 0.11 | 0.1 | 0 | 1.5 | 0.86 | 0.44 | 0.26 | 0.44 | 0.31 | 0 | 1.49 | 0.78 | 0.38 | 0.21 | 0.1 | 0.05 | 0 | 2 | 4 | 8 | 16 | 8 | 16 | 0.00 | 0.00 | 0.01 | 0.02 | 0.02 | 0.05 | 0.10 | 0.00 | 0.02 | 0.06 | 0.05 | 0.04 | 0.04 | 0.05 | 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 | 0.13 | 0.15 | 0.16 | 0.2 | 0.13 | 0.13 | 0 | 1.49 | 0.95 | 0.56 | 0.38 | 0.6 | 0.33 | 0 | 1.33 | 0.77 | 0.44 | 0.29 | 0.12 | 0.07 | 0 | 2 | 4 | 8 | 16 | 8 | 16 | 0.00 | 0.02 | 0.03 | 0.03 | 0.02 | 0.07 | 0.09 | 0.00 | 0.22 | 0.16 | 0.08 | 0.03 | 0.06 | 0.05 | 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 -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-protector-strong -fstack-clash-protection | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
►Loop 19775 - 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 19774 - 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 | 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 19773 - pme_redistribute.cpp:126-501 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.02 | 0.01 | 0.01 | 0.01 | 0.01 | 0 | 0 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 1 | 4 | 6 | 10 | 3 | 8 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
►Loop 19776 - pme_redistribute.cpp:340-362 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0.05 | 0.05 | 0.05 | 0.02 | 0.05 | 0.02 | 0 | 0.58 | 0.3 | 0.17 | 0.05 | 0.21 | 0.07 | 0 | 0.54 | 0.27 | 0.13 | 0.02 | 0.04 | 0.01 | 0 | 2 | 4 | 8 | 15 | 8 | 16 | 0.00 | 0.01 | 0.00 | 0.01 | 0.01 | 0.03 | 0.04 | 0.00 | 0.06 | 0.02 | 0.03 | 0.01 | 0.03 | 0.02 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | |||||||||
○Loop 19777 - pme_redistribute.cpp:340-362 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0.08 | 0.09 | 0.11 | 0.18 | 0.08 | 0.11 | 0 | 0.9 | 0.63 | 0.43 | 0.33 | 0.45 | 0.29 | 0 | 0.79 | 0.49 | 0.3 | 0.26 | 0.07 | 0.06 | 0 | 2 | 4 | 8 | 16 | 8 | 16 | 0.00 | 0.02 | 0.02 | 0.03 | 0.02 | 0.10 | 0.08 | 0.00 | 0.16 | 0.13 | 0.09 | 0.03 | 0.08 | 0.04 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | |||||||||
○Loop 19778 - pme_redistribute.cpp:267-333 - 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 | 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 19780 - 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 19781 - 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 19779 - 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 | 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 19782 - pme_redistribute.cpp:367-393 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 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 | |||||||||||||||||||||||
○opal_mem_hooks_unregister_release | libopen-pal.so.40.20.3 | 0 | 0.05 | 0.15 | 0.16 | 0.24 | 0.88 | 0.85 | 0 | 0.78 | 1.3 | 0.85 | 0.54 | 2.4 | 1.02 | 0 | 0.53 | 0.81 | 0.44 | 0.36 | 0.78 | 0.42 | 0 | 2 | 4 | 8 | 16 | 32 | 64 | 0.00 | 0.04 | 0.08 | 0.08 | 0.06 | 1.01 | 0.56 | 0.00 | 0.37 | 0.42 | 0.23 | 0.09 | 0.88 | 0.27 | NA | 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 | 0.02 | 0.03 | 0.05 | 0.07 | 0.07 | 0.09 | 0 | 0.2 | 0.22 | 0.17 | 0.14 | 0.13 | 0.09 | 0 | 0.18 | 0.16 | 0.15 | 0.1 | 0.07 | 0.05 | 0 | 2 | 4 | 8 | 16 | 24 | 48 | 0.00 | 0.00 | 0.01 | 0.01 | 0.02 | 0.02 | 0.04 | 0.00 | 0.03 | 0.04 | 0.02 | 0.02 | 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 -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-protector-strong -fstack-clash-protection | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
►Loop 3837 - 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 | 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 3836 - domdec.cpp:285-363 - libgromacs_mpi.so.7.0.0 [...] | 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 | 1 | 1 | 7 | 11 | 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 3839 - domdec.cpp:294-361 - 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 | 1 | 4 | 6 | 11 | 18 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 3841 - domdec.cpp:309-314 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0.01 | 0.01 | 0.01 | 0.02 | 0.02 | 0.02 | 0 | 0.19 | 0.21 | 0.15 | 0.09 | 0.12 | 0.06 | 0 | 0.1 | 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 | 0.03 | 0.03 | 0.00 | 0.00 | 0.00 | 0.00 | 0.02 | 0.03 | 0.01 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | |||||||||
○Loop 3840 - domdec.cpp:301-303 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0.01 | 0.02 | 0.04 | 0.05 | 0.05 | 0.07 | 0 | 0.15 | 0.14 | 0.16 | 0.11 | 0.11 | 0.09 | 0 | 0.08 | 0.1 | 0.12 | 0.07 | 0.05 | 0.04 | 0 | 1 | 3 | 7 | 15 | 23 | 47 | 0.00 | 0.00 | 0.00 | 0.01 | 0.02 | 0.03 | 0.04 | 0.00 | 0.00 | 0.01 | 0.02 | 0.03 | 0.02 | 0.02 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | |||||||||
○Loop 3838 - 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 3844 - 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 3842 - 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 3843 - 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 | |||||||||||||||||||||||
○Loop 3835 - 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 | |||||||||||||||||||||||
►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 | 0.05 | 0.06 | 0.07 | 0.07 | 0.08 | 0.09 | 0 | 0.65 | 0.45 | 0.3 | 0.2 | 0.21 | 0.15 | 0 | 0.57 | 0.31 | 0.21 | 0.11 | 0.07 | 0.04 | 0 | 2 | 4 | 8 | 16 | 24 | 48 | 0.00 | 0.01 | 0.02 | 0.03 | 0.05 | 0.06 | 0.07 | 0.00 | 0.11 | 0.12 | 0.09 | 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 -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-protector-strong -fstack-clash-protection | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
○Loop 4131 - hashedmap.h:277-282 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0.03 | 0.02 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 15 | 29 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | |||||||||||||||||||||||
►Loop 4126 - localtopology.cpp:322-580 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.04 | 0.02 | 0.02 | 0.01 | 0.01 | 0.02 | 0 | 0.04 | 0.02 | 0.01 | 0 | 0 | 0 | 0 | 2 | 4 | 7 | 6 | 14 | 17 | 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 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | |||||||||
○Loop 4127 - localtopology.cpp:322-576 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0.02 | 0.02 | 0.03 | 0.03 | 0.03 | 0.02 | 0 | 0.3 | 0.2 | 0.15 | 0.1 | 0.1 | 0.06 | 0 | 0.25 | 0.13 | 0.09 | 0.04 | 0.03 | 0.01 | 0 | 2 | 4 | 8 | 15 | 23 | 40 | 0.00 | 0.01 | 0.01 | 0.01 | 0.02 | 0.03 | 0.03 | 0.00 | 0.08 | 0.08 | 0.04 | 0.03 | 0.03 | 0.01 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | |||||||||
○Loop 4128 - localtopology.cpp:505-536 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0.02 | 0.02 | 0.03 | 0.03 | 0.02 | 0.03 | 0 | 0.23 | 0.15 | 0.12 | 0.09 | 0.06 | 0.04 | 0 | 0.2 | 0.11 | 0.07 | 0.04 | 0.02 | 0.01 | 0 | 2 | 4 | 8 | 13 | 24 | 36 | 0.00 | 0.00 | 0.01 | 0.01 | 0.02 | 0.02 | 0.02 | 0.00 | 0.05 | 0.05 | 0.04 | 0.03 | 0.02 | 0.01 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | |||||||||
○Loop 4129 - localtopology.cpp:416-416 - 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 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 2 | 3 | 6 | 3 | 10 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | |||||||||||||||||||||||
○Loop 4130 - 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 | 10 | 18 | 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 | |||||||||||||||||||||||
○opal_progress | libopen-pal.so.40.20.3 | 0 | 0.1 | 0.29 | 0.28 | 0.38 | 1.59 | 1.48 | 0 | 1.63 | 2.54 | 1.28 | 0.85 | 4.4 | 1.68 | 0 | 1 | 1.53 | 0.77 | 0.57 | 1.42 | 0.74 | 0 | 2 | 4 | 8 | 16 | 32 | 64 | 0.00 | 0.09 | 0.15 | 0.13 | 0.11 | 1.83 | 0.94 | 0.00 | 0.89 | 0.81 | 0.37 | 0.17 | 1.60 | 0.45 | 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 | 0.03 | 0.03 | 0.05 | 0.04 | 0 | 0.22 | 0.18 | 0.1 | 0.07 | 0.09 | 0.05 | 0 | 0.22 | 0.15 | 0.07 | 0.05 | 0.04 | 0.02 | 0 | 2 | 4 | 8 | 16 | 24 | 48 | 0.00 | 0.00 | 0.01 | 0.01 | 0.01 | 0.02 | 0.02 | 0.00 | 0.00 | 0.03 | 0.02 | 0.01 | 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 -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-protector-strong -fstack-clash-protection | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
►Loop 4152 - 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 4153 - stl_vector.h:336-1798 - 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 4154 - localtopology.cpp:737-777 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0 | 0.07 | 0.05 | 0.04 | 0.03 | 0.03 | 0.03 | 0 | 0.06 | 0.04 | 0.02 | 0.01 | 0.01 | 0.01 | 0 | 2 | 4 | 8 | 14 | 22 | 35 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.01 | 0.00 | 0.02 | 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 4157 - 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 4155 - 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 4160 - 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 4159 - 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 4158 - 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 4156 - 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 4161 - 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 | 0.07 | 0.08 | 0.04 | 0.03 | 0.04 | 0.02 | 0 | 0.08 | 0.05 | 0.03 | 0.02 | 0.02 | 0.01 | 0 | 2 | 4 | 8 | 16 | 24 | 41 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 0.02 | 0.01 | 0.01 | 0.01 | 0.01 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | |||||||||
○Loop 4151 - hashedmap.h:277-282 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0.02 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0.05 | 0.03 | 0 | 0 | 0 | 0 | 0 | 0.02 | 0.01 | 0 | 0 | 0 | 0 | 0 | 24 | 37 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | |||||||||||||||||||||||
►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 | 0.04 | 0.05 | 0 | 0 | 0 | 0 | 0 | 0.08 | 0.08 | 0 | 0 | 0 | 0 | 0 | 0.04 | 0.03 | 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 | 0.01 | 0.02 | NA | NA | NA | NA | NA | Others (%): 100.00 | Others (%): 100.00 | GNU C++17 11.1.0 -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-protector-strong -fstack-clash-protection | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
○Loop 19752 - pme_pp.cpp:504-589 - 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 | 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 19753 - pme_pp.cpp:573-573 - libgromacs_mpi.so.7.0.0 [...] | 0 | 0 | 0 | 0 | 0 | 0.04 | 0.05 | 0 | 0 | 0 | 0 | 0 | 0.08 | 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 | 0.01 | 0.01 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |