Run 2x1 | Number processes: 2Number nodes: 1Run Command: <executable> -x 100 -y 100 -z 100 --nSteps=500 --xproc=2 --yproc=1 --zproc=1MPI Command: mpirun -n <number_processes> Dataset: Run Directory: /beegfs/hackathon/users/eoseret/qaas_runs_CPU_8360Y/174-418-9654/intel/CoMD/run/oneview_runs/multicore/gcc/oneview_run_1744202032OMP_NUM_THREADS: 1I_MPI_PIN_ORDER: bunchOMP_DISPLAY_AFFINITY: TRUEOMP_PROC_BIND: spreadOMP_AFFINITY_FORMAT: 'OMP: pid %P tid %i thread %n bound to OS proc set {%A}'OMP_DISPLAY_ENV: TRUEI_MPI_PIN_DOMAIN: autoI_MPI_DEBUG: 4OMP_PLACES: threads |
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Run 2x2 | Number processes: 2Number nodes: 1Run Command: <executable> -x 100 -y 100 -z 100 --nSteps=500 --xproc=2 --yproc=1 --zproc=1MPI Command: mpirun -n <number_processes> Dataset: Run Directory: /beegfs/hackathon/users/eoseret/qaas_runs_CPU_8360Y/174-418-9654/intel/CoMD/run/oneview_runs/multicore/gcc/oneview_run_1744202032OMP_NUM_THREADS: 2I_MPI_PIN_ORDER: bunchOMP_DISPLAY_AFFINITY: TRUEOMP_PROC_BIND: spreadOMP_AFFINITY_FORMAT: 'OMP: pid %P tid %i thread %n bound to OS proc set {%A}'OMP_DISPLAY_ENV: TRUEI_MPI_PIN_DOMAIN: autoI_MPI_DEBUG: 4OMP_PLACES: threads |
Run 2x4 | Number processes: 2Number nodes: 1Run Command: <executable> -x 100 -y 100 -z 100 --nSteps=500 --xproc=2 --yproc=1 --zproc=1MPI Command: mpirun -n <number_processes> Dataset: Run Directory: /beegfs/hackathon/users/eoseret/qaas_runs_CPU_8360Y/174-418-9654/intel/CoMD/run/oneview_runs/multicore/gcc/oneview_run_1744202032OMP_NUM_THREADS: 4I_MPI_PIN_ORDER: bunchOMP_DISPLAY_AFFINITY: TRUEOMP_PROC_BIND: spreadOMP_AFFINITY_FORMAT: 'OMP: pid %P tid %i thread %n bound to OS proc set {%A}'OMP_DISPLAY_ENV: TRUEI_MPI_PIN_DOMAIN: autoI_MPI_DEBUG: 4OMP_PLACES: threads |
Run 2x8 | Number processes: 2Number nodes: 1Run Command: <executable> -x 100 -y 100 -z 100 --nSteps=500 --xproc=2 --yproc=1 --zproc=1MPI Command: mpirun -n <number_processes> Dataset: Run Directory: /beegfs/hackathon/users/eoseret/qaas_runs_CPU_8360Y/174-418-9654/intel/CoMD/run/oneview_runs/multicore/gcc/oneview_run_1744202032OMP_NUM_THREADS: 8I_MPI_PIN_ORDER: bunchOMP_DISPLAY_AFFINITY: TRUEOMP_PROC_BIND: spreadOMP_AFFINITY_FORMAT: 'OMP: pid %P tid %i thread %n bound to OS proc set {%A}'OMP_DISPLAY_ENV: TRUEI_MPI_PIN_DOMAIN: autoI_MPI_DEBUG: 4OMP_PLACES: threads |
Run 2x16 | Number processes: 2Number nodes: 1Run Command: <executable> -x 100 -y 100 -z 100 --nSteps=500 --xproc=2 --yproc=1 --zproc=1MPI Command: mpirun -n <number_processes> Dataset: Run Directory: /beegfs/hackathon/users/eoseret/qaas_runs_CPU_8360Y/174-418-9654/intel/CoMD/run/oneview_runs/multicore/gcc/oneview_run_1744202032OMP_NUM_THREADS: 16I_MPI_PIN_ORDER: bunchOMP_DISPLAY_AFFINITY: TRUEOMP_PROC_BIND: spreadOMP_AFFINITY_FORMAT: 'OMP: pid %P tid %i thread %n bound to OS proc set {%A}'OMP_DISPLAY_ENV: TRUEI_MPI_PIN_DOMAIN: autoI_MPI_DEBUG: 4OMP_PLACES: threads |
Run 2x18 | Number processes: 2Number nodes: 1Run Command: <executable> -x 100 -y 100 -z 100 --nSteps=500 --xproc=2 --yproc=1 --zproc=1MPI Command: mpirun -n <number_processes> Dataset: Run Directory: /beegfs/hackathon/users/eoseret/qaas_runs_CPU_8360Y/174-418-9654/intel/CoMD/run/oneview_runs/multicore/gcc/oneview_run_1744202032OMP_NUM_THREADS: 18I_MPI_PIN_ORDER: bunchOMP_DISPLAY_AFFINITY: TRUEOMP_PROC_BIND: spreadOMP_AFFINITY_FORMAT: 'OMP: pid %P tid %i thread %n bound to OS proc set {%A}'OMP_DISPLAY_ENV: TRUEI_MPI_PIN_DOMAIN: autoI_MPI_DEBUG: 4OMP_PLACES: threads |
Run 2x24 | Number processes: 2Number nodes: 1Run Command: <executable> -x 100 -y 100 -z 100 --nSteps=500 --xproc=2 --yproc=1 --zproc=1MPI Command: mpirun -n <number_processes> Dataset: Run Directory: /beegfs/hackathon/users/eoseret/qaas_runs_CPU_8360Y/174-418-9654/intel/CoMD/run/oneview_runs/multicore/gcc/oneview_run_1744202032OMP_NUM_THREADS: 24I_MPI_PIN_ORDER: bunchOMP_DISPLAY_AFFINITY: TRUEOMP_PROC_BIND: spreadOMP_AFFINITY_FORMAT: 'OMP: pid %P tid %i thread %n bound to OS proc set {%A}'OMP_DISPLAY_ENV: TRUEI_MPI_PIN_DOMAIN: autoI_MPI_DEBUG: 4OMP_PLACES: threads |
Run 2x32 | Number processes: 2Number nodes: 1Run Command: <executable> -x 100 -y 100 -z 100 --nSteps=500 --xproc=2 --yproc=1 --zproc=1MPI Command: mpirun -n <number_processes> Dataset: Run Directory: /beegfs/hackathon/users/eoseret/qaas_runs_CPU_8360Y/174-418-9654/intel/CoMD/run/oneview_runs/multicore/gcc/oneview_run_1744202032OMP_NUM_THREADS: 32I_MPI_PIN_ORDER: bunchOMP_DISPLAY_AFFINITY: TRUEOMP_PROC_BIND: spreadOMP_AFFINITY_FORMAT: 'OMP: pid %P tid %i thread %n bound to OS proc set {%A}'OMP_DISPLAY_ENV: TRUEI_MPI_PIN_DOMAIN: autoI_MPI_DEBUG: 4OMP_PLACES: threads |
Run 2x36 | Number processes: 2Number nodes: 1Run Command: <executable> -x 100 -y 100 -z 100 --nSteps=500 --xproc=2 --yproc=1 --zproc=1MPI Command: mpirun -n <number_processes> Dataset: Run Directory: /beegfs/hackathon/users/eoseret/qaas_runs_CPU_8360Y/174-418-9654/intel/CoMD/run/oneview_runs/multicore/gcc/oneview_run_1744202032OMP_NUM_THREADS: 36I_MPI_PIN_ORDER: bunchOMP_DISPLAY_AFFINITY: TRUEOMP_PROC_BIND: spreadOMP_AFFINITY_FORMAT: 'OMP: pid %P tid %i thread %n bound to OS proc set {%A}'OMP_DISPLAY_ENV: TRUEI_MPI_PIN_DOMAIN: autoI_MPI_DEBUG: 4OMP_PLACES: threads |
Loop id | Source Location | Source Function | Level | Exclusive Coverage 2x1 (%) | Exclusive Coverage 2x2 (%) | Exclusive Coverage 2x4 (%) | Exclusive Coverage 2x8 (%) | Exclusive Coverage 2x16 (%) | Exclusive Coverage 2x18 (%) | Exclusive Coverage 2x24 (%) | Exclusive Coverage 2x32 (%) | Exclusive Coverage 2x36 (%) | Inclusive Coverage 2x1 (%) | Inclusive Coverage 2x2 (%) | Inclusive Coverage 2x4 (%) | Inclusive Coverage 2x8 (%) | Inclusive Coverage 2x16 (%) | Inclusive Coverage 2x18 (%) | Inclusive Coverage 2x24 (%) | Inclusive Coverage 2x32 (%) | Inclusive Coverage 2x36 (%) | Max Exclusive Time Over Threads 2x1 (s) | Max Exclusive Time Over Threads 2x2 (s) | Max Exclusive Time Over Threads 2x4 (s) | Max Exclusive Time Over Threads 2x8 (s) | Max Exclusive Time Over Threads 2x16 (s) | Max Exclusive Time Over Threads 2x18 (s) | Max Exclusive Time Over Threads 2x24 (s) | Max Exclusive Time Over Threads 2x32 (s) | Max Exclusive Time Over Threads 2x36 (s) | Max Inclusive Time Over Threads 2x1 (s) | Max Inclusive Time Over Threads 2x2 (s) | Max Inclusive Time Over Threads 2x4 (s) | Max Inclusive Time Over Threads 2x8 (s) | Max Inclusive Time Over Threads 2x16 (s) | Max Inclusive Time Over Threads 2x18 (s) | Max Inclusive Time Over Threads 2x24 (s) | Max Inclusive Time Over Threads 2x32 (s) | Max Inclusive Time Over Threads 2x36 (s) | Exclusive Time w.r.t. Wall Time 2x1 (s) | Exclusive Time w.r.t. Wall Time 2x2 (s) | Exclusive Time w.r.t. Wall Time 2x4 (s) | Exclusive Time w.r.t. Wall Time 2x8 (s) | Exclusive Time w.r.t. Wall Time 2x16 (s) | Exclusive Time w.r.t. Wall Time 2x18 (s) | Exclusive Time w.r.t. Wall Time 2x24 (s) | Exclusive Time w.r.t. Wall Time 2x32 (s) | Exclusive Time w.r.t. Wall Time 2x36 (s) | Inclusive Time w.r.t. Wall Time 2x1 (s) | Inclusive Time w.r.t. Wall Time 2x2 (s) | Inclusive Time w.r.t. Wall Time 2x4 (s) | Inclusive Time w.r.t. Wall Time 2x8 (s) | Inclusive Time w.r.t. Wall Time 2x16 (s) | Inclusive Time w.r.t. Wall Time 2x18 (s) | Inclusive Time w.r.t. Wall Time 2x24 (s) | Inclusive Time w.r.t. Wall Time 2x32 (s) | Inclusive Time w.r.t. Wall Time 2x36 (s) | Nb Threads 2x1 | Nb Threads 2x2 | Nb Threads 2x4 | Nb Threads 2x8 | Nb Threads 2x16 | Nb Threads 2x18 | Nb Threads 2x24 | Nb Threads 2x32 | Nb Threads 2x36 | GFLOPS 2x1 | GFLOPS 2x2 | GFLOPS 2x4 | GFLOPS 2x8 | GFLOPS 2x16 | GFLOPS 2x18 | GFLOPS 2x24 | GFLOPS 2x32 | GFLOPS 2x36 | Vectorization Ratio (%) | Vector Length Use (%) | Speedup If No Scalar Integer | Speedup If FP Vectorized | Speedup If Fully Vectorized | Speedup If Perfect Load Balancing 2x1 | Speedup If Perfect Load Balancing 2x2 | Speedup If Perfect Load Balancing 2x4 | Speedup If Perfect Load Balancing 2x8 | Speedup If Perfect Load Balancing 2x16 | Speedup If Perfect Load Balancing 2x18 | Speedup If Perfect Load Balancing 2x24 | Speedup If Perfect Load Balancing 2x32 | Speedup If Perfect Load Balancing 2x36 | Stride 0 | Stride 1 | Stride n | Stride Unknown | Stride Indirect | (2x1) Efficiency | (2x1) Potential Speed-Up (%) | (2x2) Efficiency | (2x2) Potential Speed-Up (%) | (2x4) Efficiency | (2x4) Potential Speed-Up (%) | (2x8) Efficiency | (2x8) Potential Speed-Up (%) | (2x16) Efficiency | (2x16) Potential Speed-Up (%) | (2x18) Efficiency | (2x18) Potential Speed-Up (%) | (2x24) Efficiency | (2x24) Potential Speed-Up (%) | (2x32) Efficiency | (2x32) Potential Speed-Up (%) | (2x36) Efficiency | (2x36) Potential Speed-Up (%) |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
94 | exec - ljForce.c:191-216 [...] | ljForce._omp_fn.1 | Innermost | 81.03 | 80.76 | 80.31 | 78.76 | 75.66 | 75.14 | 73.34 | 71.71 | 70.52 | 81.03 | 80.76 | 80.31 | 78.76 | 75.66 | 75.14 | 73.34 | 71.71 | 70.52 | 1291.45 | 646.79 | 324.25 | 164.03 | 83.06 | 74.90 | 60.09 | 50.84 | 47.82 | 1291.45 | 646.79 | 324.25 | 164.03 | 83.06 | 74.90 | 60.09 | 50.84 | 47.82 | 1291.60 | 652.67 | 333.71 | 173.96 | 92.83 | 85.05 | 68.40 | 56.18 | 52.22 | 1291.60 | 652.67 | 333.71 | 173.96 | 92.83 | 85.05 | 68.40 | 56.18 | 52.22 | 2 | 4 | 8 | 16 | 32 | 36 | 48 | 64 | 72 | 7.64 | 15.12 | 29.58 | 56.75 | 106.35 | 116.04 | 144.33 | 175.70 | 189.03 | 6.06 | 13.26 | 1 | 2.34 | 6 | 1 | 1 | 1 | 1.01 | 1.03 | 1.04 | 1.07 | 1.1 | 1.14 | NA | NA | NA | NA | NA | 1 | 0 | 0.99 | 0.85 | 0.97 | 2.6 | 0.93 | 5.66 | 0.87 | 9.86 | 0.84 | 11.75 | 0.79 | 15.63 | 0.72 | 20.19 | 0.69 | 22.07 |
93 | exec - ljForce.c:187-216 [...] | ljForce._omp_fn.1 | InBetween | 13.80 | 13.72 | 13.63 | 13.52 | 13.03 | 12.90 | 12.46 | 12.36 | 12.19 | 94.82 | 94.49 | 93.94 | 92.28 | 88.69 | 88.05 | 85.81 | 84.07 | 82.71 | 219.78 | 110.49 | 55.30 | 28.45 | 14.38 | 13.17 | 10.25 | 8.88 | 7.93 | 1511.23 | 756.35 | 378.82 | 191.47 | 96.62 | 87.09 | 70.03 | 58.98 | 55.49 | 219.92 | 110.91 | 56.65 | 29.86 | 15.98 | 14.61 | 11.62 | 9.68 | 9.02 | 1511.52 | 763.58 | 390.36 | 203.82 | 108.81 | 99.66 | 80.02 | 65.86 | 61.24 | 2 | 4 | 8 | 16 | 32 | 36 | 48 | 64 | 72 | 7.45 | 14.77 | 28.92 | 54.79 | 102.40 | 112.13 | 140.74 | 169.06 | 181.42 | 7.14 | 13.13 | 1 | 2.33 | 6 | 1 | 1.01 | 1.01 | 1.02 | 1.03 | 1.06 | 1.08 | 1.12 | 1.09 | NA | NA | NA | NA | NA | 1 | 0 | 0.99 | 0.12 | 0.97 | 0.4 | 0.92 | 1.07 | 0.86 | 1.82 | 0.84 | 2.11 | 0.79 | 2.64 | 0.71 | 3.58 | 0.68 | 3.93 |
89 | exec - ljForce.c:161-161 [...] | ljForce._omp_fn.0 | Single | 0.82 | 0.85 | 0.95 | 1.20 | 1.83 | 1.92 | 2.33 | 2.61 | 2.70 | 0.82 | 0.85 | 0.95 | 1.20 | 1.83 | 1.92 | 2.33 | 2.61 | 2.70 | 13.08 | 6.90 | 3.93 | 2.53 | 2.10 | 2.02 | 1.91 | 1.87 | 1.82 | 13.08 | 6.90 | 3.93 | 2.53 | 2.10 | 2.02 | 1.91 | 1.87 | 1.82 | 13.09 | 6.87 | 3.96 | 2.65 | 2.25 | 2.18 | 2.17 | 2.04 | 2.00 | 13.09 | 6.87 | 3.96 | 2.65 | 2.25 | 2.18 | 2.17 | 2.04 | 2.00 | 2 | 4 | 8 | 16 | 32 | 36 | 48 | 64 | 72 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 100 | 50 | 1 | 1 | 1 | 1 | 1.02 | 1.02 | 1.02 | 1.07 | 1.09 | 1.07 | 1.12 | 1.13 | 0 | 1 | 2 | 0 | 0 | 1 | 0 | 0.95 | 0.04 | 0.83 | 0.17 | 0.62 | 0.46 | 0.36 | 1.16 | 0.33 | 1.28 | 0.25 | 1.75 | 0.2 | 2.08 | 0.18 | 2.21 |
84 | exec - linkCells.c:211-373 [...] | updateLinkCells | Innermost | 0.69 | 0.69 | 0.68 | 0.68 | 0.65 | 0.64 | 0.61 | 0.55 | 0.54 | 0.69 | 0.69 | 0.68 | 0.68 | 0.65 | 0.64 | 0.61 | 0.55 | 0.54 | 11.05 | 11.05 | 10.97 | 11.11 | 11.08 | 11.15 | 11.14 | 11.22 | 11.62 | 11.05 | 11.05 | 10.97 | 11.11 | 11.08 | 11.15 | 11.14 | 11.22 | 11.62 | 11.03 | 5.54 | 2.83 | 1.49 | 0.79 | 0.73 | 0.57 | 0.43 | 0.40 | 11.03 | 5.54 | 2.83 | 1.49 | 0.79 | 0.73 | 0.57 | 0.43 | 0.40 | 2 | 2 | 2 | 2 | 2 | 2 | 2 | 2 | 2 | 1.08 | 2.15 | 4.22 | 7.98 | 14.99 | 16.38 | 21.06 | 27.83 | 29.84 | 0 | 10 | 2.25 | 3.72 | 16 | 1 | 1.01 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | NA | NA | NA | NA | NA | 1 | 0 | 0.99 | 0 | 0.98 | 0.02 | 0.92 | 0.05 | 0.87 | 0.09 | 0.84 | 0.1 | 0.81 | 0.11 | 0.81 | 0.11 | 0.77 | 0.13 |
61 | exec - haloExchange.c:621-628 | sortAtomsInCell | Single | 0.52 | 0.52 | 0.57 | 0.67 | 0.93 | 1.06 | 1.25 | 1.39 | 1.45 | 0.52 | 0.52 | 0.57 | 0.67 | 0.93 | 1.06 | 1.25 | 1.39 | 1.45 | 8.52 | 4.34 | 2.43 | 1.52 | 1.16 | 1.15 | 1.07 | 1.03 | 1.10 | 8.52 | 4.34 | 2.43 | 1.52 | 1.16 | 1.15 | 1.07 | 1.03 | 1.10 | 8.30 | 4.21 | 2.36 | 1.49 | 1.14 | 1.20 | 1.17 | 1.09 | 1.08 | 8.30 | 4.21 | 2.36 | 1.49 | 1.14 | 1.20 | 1.17 | 1.09 | 1.08 | 2 | 4 | 8 | 16 | 32 | 36 | 48 | 64 | 72 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 21.62 | 13.91 | 1.16 | 1 | 4.14 | 1.03 | 1.04 | 1.06 | 1.1 | 1.17 | 1.13 | 1.12 | 1.16 | 1.27 | 1 | 4 | 2 | 0 | 0 | 1 | 0 | 0.99 | 0.01 | 0.88 | 0.07 | 0.7 | 0.2 | 0.45 | 0.51 | 0.38 | 0.65 | 0.3 | 0.88 | 0.24 | 1.06 | 0.21 | 1.14 |
91 | exec - ljForce.c:178-216 [...] | ljForce._omp_fn.1 | InBetween | 0.37 | 0.37 | 0.38 | 0.35 | 0.35 | 0.35 | 0.33 | 0.34 | 0.33 | 95.20 | 94.86 | 94.32 | 92.63 | 89.04 | 88.39 | 86.14 | 84.41 | 83.04 | 6.02 | 3.06 | 1.60 | 0.83 | 0.49 | 0.40 | 0.34 | 0.34 | 0.29 | 1517.24 | 759.31 | 380.43 | 192.21 | 97.06 | 87.45 | 70.28 | 59.17 | 55.70 | 5.94 | 3.02 | 1.59 | 0.78 | 0.43 | 0.39 | 0.31 | 0.27 | 0.24 | 1517.46 | 766.60 | 391.95 | 204.60 | 109.24 | 100.05 | 80.33 | 66.13 | 61.48 | 2 | 4 | 8 | 16 | 32 | 36 | 48 | 64 | 72 | 10.72 | 21.05 | 40.24 | 81.23 | 148.03 | 162.92 | 207.01 | 241.15 | 265.42 | 0 | 7.14 | 1.64 | 1 | 15.55 | 1.01 | 1.02 | 1.04 | 1.14 | 1.32 | 1.2 | 1.35 | 1.53 | 1.52 | NA | NA | NA | NA | NA | 1 | 0 | 0.98 | 0.01 | 0.94 | 0.02 | 0.95 | 0.02 | 0.86 | 0.05 | 0.84 | 0.06 | 0.8 | 0.07 | 0.7 | 0.1 | 0.68 | 0.1 |
104 | exec - timestep.c:88-94 | advancePosition._omp_fn.0 | Innermost | 0.36 | 0.37 | 0.43 | 0.52 | 0.74 | 0.79 | 0.93 | 0.97 | 0.96 | 0.36 | 0.37 | 0.43 | 0.52 | 0.74 | 0.79 | 0.93 | 0.97 | 0.96 | 5.82 | 3.15 | 1.84 | 1.19 | 0.91 | 0.87 | 0.87 | 0.77 | 0.72 | 5.82 | 3.15 | 1.84 | 1.19 | 0.91 | 0.87 | 0.87 | 0.77 | 0.72 | 5.76 | 3.02 | 1.78 | 1.14 | 0.91 | 0.90 | 0.87 | 0.76 | 0.71 | 5.76 | 3.02 | 1.78 | 1.14 | 0.91 | 0.90 | 0.87 | 0.76 | 0.71 | 2 | 4 | 8 | 16 | 32 | 36 | 48 | 64 | 72 | 2.89 | 5.43 | 9.03 | 13.93 | 17.48 | 17.96 | 18.56 | 21.45 | 22.98 | 0 | 12.5 | 1 | 1.12 | 2 | 1.01 | 1.05 | 1.07 | 1.12 | 1.15 | 1.14 | 1.22 | 1.25 | 1.26 | 1 | 1 | 4 | 0 | 0 | 1 | 0 | 0.95 | 0.02 | 0.81 | 0.08 | 0.63 | 0.19 | 0.39 | 0.45 | 0.36 | 0.51 | 0.28 | 0.68 | 0.24 | 0.74 | 0.23 | 0.74 |
105 | exec - timestep.c:71-78 | advanceVelocity._omp_fn.0 | Outermost | 0.31 | 0.33 | 0.34 | 0.45 | 0.72 | 0.75 | 0.77 | 0.80 | 0.83 | 0.61 | 0.65 | 0.70 | 0.91 | 1.46 | 1.54 | 1.57 | 1.65 | 1.72 | 5.01 | 2.69 | 1.43 | 1.06 | 0.92 | 0.88 | 0.74 | 0.68 | 0.67 | 9.79 | 5.26 | 2.84 | 2.00 | 1.71 | 1.60 | 1.39 | 1.19 | 1.24 | 4.91 | 2.65 | 1.42 | 0.99 | 0.88 | 0.85 | 0.71 | 0.63 | 0.62 | 9.76 | 5.27 | 2.89 | 2.01 | 1.79 | 1.74 | 1.46 | 1.29 | 1.27 | 2 | 4 | 8 | 16 | 32 | 36 | 48 | 64 | 72 | 2.45 | 4.46 | 8.40 | 12.06 | 13.78 | 13.98 | 16.91 | 18.75 | 19.18 | 28.35 | 21.11 | 1.25 | 1.24 | 5.43 | 1.02 | 1.03 | 1.03 | 1.15 | 1.19 | 1.21 | 1.28 | 1.31 | 1.35 | NA | NA | NA | NA | NA | 1 | 0 | 0.93 | 0.02 | 0.86 | 0.05 | 0.62 | 0.17 | 0.35 | 0.47 | 0.32 | 0.51 | 0.29 | 0.55 | 0.24 | 0.61 | 0.22 | 0.65 |
107 | exec - timestep.c:74-76 | advanceVelocity._omp_fn.0 | Innermost | 0.30 | 0.32 | 0.35 | 0.46 | 0.74 | 0.79 | 0.80 | 0.85 | 0.89 | 0.30 | 0.32 | 0.35 | 0.46 | 0.74 | 0.79 | 0.80 | 0.85 | 0.89 | 4.98 | 2.69 | 1.50 | 1.03 | 0.93 | 0.90 | 0.93 | 0.87 | 0.81 | 4.98 | 2.69 | 1.50 | 1.03 | 0.93 | 0.90 | 0.93 | 0.87 | 0.81 | 4.85 | 2.62 | 1.47 | 1.02 | 0.91 | 0.89 | 0.75 | 0.66 | 0.66 | 4.85 | 2.62 | 1.47 | 1.02 | 0.91 | 0.89 | 0.75 | 0.66 | 0.66 | 2 | 4 | 8 | 16 | 32 | 36 | 48 | 64 | 72 | 2.47 | 4.66 | 8.19 | 11.84 | 12.97 | 13.49 | 15.96 | 18.29 | 18.40 | 100 | 50 | 1 | 1 | 2 | 1.03 | 1.04 | 1.05 | 1.08 | 1.17 | 1.19 | 1.53 | 1.6 | 1.54 | 0 | 1 | 2 | 0 | 0 | 1 | 0 | 0.93 | 0.02 | 0.82 | 0.06 | 0.59 | 0.19 | 0.33 | 0.5 | 0.3 | 0.55 | 0.27 | 0.58 | 0.23 | 0.65 | 0.2 | 0.71 |
103 | exec - timestep.c:88-94 | advancePosition._omp_fn.0 | Outermost | 0.16 | 0.17 | 0.19 | 0.23 | 0.28 | 0.31 | 0.34 | 0.32 | 0.31 | 0.52 | 0.55 | 0.62 | 0.74 | 1.03 | 1.10 | 1.28 | 1.29 | 1.27 | 2.64 | 1.43 | 0.84 | 0.51 | 0.41 | 0.36 | 0.34 | 0.31 | 0.28 | 8.34 | 4.52 | 2.58 | 1.65 | 1.27 | 1.15 | 1.06 | 1.02 | 0.92 | 2.57 | 1.38 | 0.79 | 0.50 | 0.35 | 0.35 | 0.32 | 0.25 | 0.23 | 8.33 | 4.41 | 2.57 | 1.64 | 1.26 | 1.25 | 1.19 | 1.01 | 0.94 | 2 | 4 | 8 | 16 | 32 | 36 | 48 | 64 | 72 | 1.31 | 2.59 | 4.99 | 8.24 | 11.48 | 11.15 | 11.98 | 14.77 | 15.85 | 0 | 12.32 | 1.26 | 1.43 | 2.63 | 1.03 | 1.05 | 1.1 | 1.1 | 1.36 | 1.21 | 1.3 | 1.53 | 1.52 | NA | NA | NA | NA | NA | 1 | 0 | 0.93 | 0.01 | 0.81 | 0.04 | 0.64 | 0.08 | 0.46 | 0.15 | 0.41 | 0.18 | 0.34 | 0.23 | 0.32 | 0.22 | 0.31 | 0.22 |
36 | exec - haloExchange.c:380-390 | loadAtomsBuffer | Innermost | 0.11 | 0.10 | 0.11 | 0.10 | 0.10 | 0.09 | 0.09 | 0.08 | 0.08 | 0.11 | 0.10 | 0.11 | 0.10 | 0.10 | 0.09 | 0.09 | 0.08 | 0.08 | 1.75 | 1.59 | 1.79 | 1.67 | 1.69 | 1.60 | 1.68 | 1.66 | 1.73 | 1.75 | 1.59 | 1.79 | 1.67 | 1.69 | 1.60 | 1.68 | 1.66 | 1.73 | 1.72 | 0.78 | 0.44 | 0.22 | 0.12 | 0.10 | 0.08 | 0.06 | 0.06 | 1.72 | 0.78 | 0.44 | 0.22 | 0.12 | 0.10 | 0.08 | 0.06 | 0.06 | 2 | 2 | 2 | 2 | 2 | 2 | 2 | 2 | 2 | 0.40 | 0.92 | 1.53 | 2.92 | 6.08 | 6.59 | 8.26 | 11.25 | 11.32 | 0 | 11.25 | 1.07 | 1.2 | 5.49 | 1.02 | 1.03 | 1.05 | 1.01 | 1.03 | 1 | 1.01 | 1.01 | 1.01 | 1 | 4 | 2 | 0 | 0 | 1 | 0 | 1.1 | 0 | 0.98 | 0 | 0.96 | 0 | 0.92 | 0.01 | 0.92 | 0.01 | 0.84 | 0.01 | 0.86 | 0.01 | 0.81 | 0.02 |
59 | exec - haloExchange.c:633-642 | sortAtomsInCell | Single | 0.09 | 0.09 | 0.09 | 0.09 | 0.08 | 0.08 | 0.08 | 0.08 | 0.07 | 0.09 | 0.09 | 0.09 | 0.09 | 0.08 | 0.08 | 0.08 | 0.08 | 0.07 | 1.44 | 0.78 | 0.40 | 0.25 | 0.12 | 0.13 | 0.11 | 0.08 | 0.09 | 1.44 | 0.78 | 0.40 | 0.25 | 0.12 | 0.13 | 0.11 | 0.08 | 0.09 | 1.38 | 0.75 | 0.36 | 0.20 | 0.10 | 0.09 | 0.08 | 0.06 | 0.05 | 1.38 | 0.75 | 0.36 | 0.20 | 0.10 | 0.09 | 0.08 | 0.06 | 0.05 | 2 | 4 | 8 | 16 | 32 | 36 | 48 | 64 | 72 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 10.94 | 1.33 | 1 | 4.57 | 1.04 | 1.05 | 1.14 | 1.33 | 1.39 | 1.58 | 1.84 | 1.61 | 2.1 | 0 | 2 | 4 | 0 | 0 | 1 | 0 | 0.92 | 0.01 | 0.96 | 0 | 0.88 | 0.01 | 0.87 | 0.01 | 0.83 | 0.01 | 0.75 | 0.02 | 0.71 | 0.02 | 0.72 | 0.02 |
92 | exec - ljForce.c:175-216 [...] | ljForce._omp_fn.1 | Outermost | 0.03 | 0.03 | 0.03 | 0.02 | 0.03 | 0.02 | 0.02 | 0.03 | 0.02 | 95.22 | 94.89 | 94.35 | 92.66 | 89.07 | 88.42 | 86.16 | 84.43 | 83.06 | 0.50 | 0.30 | 0.14 | 0.07 | 0.05 | 0.05 | 0.04 | 0.04 | 0.04 | 1517.75 | 759.50 | 380.55 | 192.28 | 97.09 | 87.48 | 70.30 | 59.18 | 55.72 | 0.44 | 0.24 | 0.11 | 0.06 | 0.04 | 0.02 | 0.02 | 0.02 | 0.02 | 1517.90 | 766.84 | 392.06 | 204.66 | 109.27 | 100.08 | 80.35 | 66.15 | 61.50 | 2 | 4 | 8 | 16 | 32 | 36 | 48 | 64 | 72 | 8.84 | 16.34 | 34.26 | 70.30 | 107.06 | 160.33 | 187.65 | 192.04 | 225.11 | NA | NA | NA | NA | NA | 1.15 | 1.3 | 1.34 | 1.46 | 1.62 | 2.68 | 2.65 | 2.45 | 3.26 | NA | NA | NA | NA | NA | 1 | 0 | 0.92 | 0 | 0.98 | 0 | 0.99 | 0 | 0.77 | 0.01 | 1.01 | -0 | 0.88 | 0 | 0.69 | 0.01 | 0.71 | 0.01 |
110 | exec - timestep.c:110-116 | kineticEnergy._omp_fn.0 | Innermost | 0.03 | 0.03 | 0.03 | 0.03 | 0.04 | 0.05 | 0.05 | 0.06 | 0.05 | 0.03 | 0.03 | 0.03 | 0.03 | 0.04 | 0.05 | 0.05 | 0.06 | 0.05 | 0.42 | 0.23 | 0.13 | 0.08 | 0.06 | 0.08 | 0.05 | 0.08 | 0.06 | 0.42 | 0.23 | 0.13 | 0.08 | 0.06 | 0.08 | 0.05 | 0.08 | 0.06 | 0.42 | 0.21 | 0.11 | 0.07 | 0.05 | 0.05 | 0.05 | 0.04 | 0.04 | 0.42 | 0.21 | 0.11 | 0.07 | 0.05 | 0.05 | 0.05 | 0.04 | 0.04 | 2 | 4 | 8 | 16 | 32 | 36 | 48 | 64 | 72 | 3.46 | 6.73 | 13.08 | 22.17 | 32.39 | 27.72 | 30.14 | 33.81 | 37.37 | 0 | 12.5 | 1 | 1.94 | 2 | 1.01 | 1.11 | 1.22 | 1.39 | 1.51 | 1.67 | 1.39 | 2.22 | 1.9 | 1 | 1 | 2 | 0 | 0 | 1 | 0 | 0.98 | 0 | 0.95 | 0 | 0.8 | 0.01 | 0.57 | 0.02 | 0.44 | 0.03 | 0.36 | 0.03 | 0.3 | 0.04 | 0.3 | 0.04 |
45 | exec - haloExchange.c:414-424 [...] | unloadAtomsBuffer | Single | 0.02 | 0.02 | 0.01 | 0.01 | 0.02 | 0.01 | 0.01 | 0.01 | 0.01 | 0.02 | 0.02 | 0.01 | 0.01 | 0.02 | 0.01 | 0.01 | 0.01 | 0.01 | 0.28 | 0.29 | 0.26 | 0.29 | 0.30 | 0.24 | 0.24 | 0.31 | 0.24 | 0.28 | 0.29 | 0.26 | 0.29 | 0.30 | 0.24 | 0.24 | 0.31 | 0.24 | 0.26 | 0.14 | 0.06 | 0.03 | 0.02 | 0.01 | 0.01 | 0.01 | 0.01 | 0.26 | 0.14 | 0.06 | 0.03 | 0.02 | 0.01 | 0.01 | 0.01 | 0.01 | 2 | 2 | 2 | 2 | 2 | 2 | 2 | 2 | 2 | 0.31 | 0.57 | 1.37 | 2.77 | 3.58 | 5.61 | 7.25 | 7.42 | 10.79 | 0 | 11.25 | 1.67 | 1 | 8.89 | 1.05 | 1.02 | 1.16 | 1.21 | 1.15 | 1.07 | 1.12 | 1.19 | 1.02 | 1 | 1 | 1 | 0 | 0 | 1 | 0 | 0.91 | 0 | 1.13 | -0 | 1.04 | -0 | 0.86 | 0 | 0.99 | 0 | 1 | 0 | 0.81 | 0 | 0.9 | 0 |