| Run 8x1 | Number processes: 8Number nodes: NANumber processes per node: 8Run Command: <executable> -x 200 -y 200 -z 200 --xproc=2 --yproc=2 --zproc=2MPI Command: mpirun -n <number_processes> --bind-to core --map-by package:PE=24 --rank-by fill --report-bindings Dataset: Run Directory: /beegfs/hackathon/users/eoseret/qaas_runs_test/gmz12.benchmarkcenter.megware.com/177-374-1600/CoMD/run/oneview_runs/multicore/icx_1/oneview_run_1773746383OMP_PROC_BIND: spreadOMP_DISPLAY_AFFINITY: TRUEOMP_AFFINITY_FORMAT: 'OMP: pid %P tid %i thread %n bound to OS proc set {%A}'OMP_DISPLAY_ENV: TRUEOMP_PLACES: threadsOMP_NUM_THREADS: 1 |
|---|---|
| Run 8x8 | Number processes: 8Number processes per node: 8Run Command: <executable> -x 200 -y 200 -z 200 --xproc=2 --yproc=2 --zproc=2MPI Command: mpirun -n <number_processes> --bind-to core --map-by package:PE=24 --rank-by fill --report-bindings Dataset: Run Directory: /beegfs/hackathon/users/eoseret/qaas_runs_test/gmz12.benchmarkcenter.megware.com/177-374-1600/CoMD/run/oneview_runs/multicore/icx_1/oneview_run_1773746383OMP_NUM_THREADS: 8OMP_PROC_BIND: spreadOMP_DISPLAY_AFFINITY: TRUEOMP_AFFINITY_FORMAT: 'OMP: pid %P tid %i thread %n bound to OS proc set {%A}'OMP_DISPLAY_ENV: TRUEOMP_PLACES: threads |
| Run 8x12 | Number processes: 8Number processes per node: 8Run Command: <executable> -x 200 -y 200 -z 200 --xproc=2 --yproc=2 --zproc=2MPI Command: mpirun -n <number_processes> --bind-to core --map-by package:PE=24 --rank-by fill --report-bindings Dataset: Run Directory: /beegfs/hackathon/users/eoseret/qaas_runs_test/gmz12.benchmarkcenter.megware.com/177-374-1600/CoMD/run/oneview_runs/multicore/icx_1/oneview_run_1773746383OMP_NUM_THREADS: 12OMP_PROC_BIND: spreadOMP_DISPLAY_AFFINITY: TRUEOMP_AFFINITY_FORMAT: 'OMP: pid %P tid %i thread %n bound to OS proc set {%A}'OMP_DISPLAY_ENV: TRUEOMP_PLACES: threads |
| Run 8x16 | Number processes: 8Number processes per node: 8Run Command: <executable> -x 200 -y 200 -z 200 --xproc=2 --yproc=2 --zproc=2MPI Command: mpirun -n <number_processes> --bind-to core --map-by package:PE=24 --rank-by fill --report-bindings Dataset: Run Directory: /beegfs/hackathon/users/eoseret/qaas_runs_test/gmz12.benchmarkcenter.megware.com/177-374-1600/CoMD/run/oneview_runs/multicore/icx_1/oneview_run_1773746383OMP_NUM_THREADS: 16OMP_PROC_BIND: spreadOMP_DISPLAY_AFFINITY: TRUEOMP_AFFINITY_FORMAT: 'OMP: pid %P tid %i thread %n bound to OS proc set {%A}'OMP_DISPLAY_ENV: TRUEOMP_PLACES: threads |
| Run 8x20 | Number processes: 8Number processes per node: 8Run Command: <executable> -x 200 -y 200 -z 200 --xproc=2 --yproc=2 --zproc=2MPI Command: mpirun -n <number_processes> --bind-to core --map-by package:PE=24 --rank-by fill --report-bindings Dataset: Run Directory: /beegfs/hackathon/users/eoseret/qaas_runs_test/gmz12.benchmarkcenter.megware.com/177-374-1600/CoMD/run/oneview_runs/multicore/icx_1/oneview_run_1773746383OMP_NUM_THREADS: 20OMP_PROC_BIND: spreadOMP_DISPLAY_AFFINITY: TRUEOMP_AFFINITY_FORMAT: 'OMP: pid %P tid %i thread %n bound to OS proc set {%A}'OMP_DISPLAY_ENV: TRUEOMP_PLACES: threads |
| Run 8x24 | Number processes: 8Number processes per node: 8Run Command: <executable> -x 200 -y 200 -z 200 --xproc=2 --yproc=2 --zproc=2MPI Command: mpirun -n <number_processes> --bind-to core --map-by package:PE=24 --rank-by fill --report-bindings Dataset: Run Directory: /beegfs/hackathon/users/eoseret/qaas_runs_test/gmz12.benchmarkcenter.megware.com/177-374-1600/CoMD/run/oneview_runs/multicore/icx_1/oneview_run_1773746383OMP_NUM_THREADS: 24OMP_PROC_BIND: spreadOMP_DISPLAY_AFFINITY: TRUEOMP_AFFINITY_FORMAT: 'OMP: pid %P tid %i thread %n bound to OS proc set {%A}'OMP_DISPLAY_ENV: TRUEOMP_PLACES: threads |
| Loop id | Source Location | Source Function | Level | Max Thread Time / Walltime 8x1 (%) | Max Thread Time / Walltime 8x8 (%) | Max Thread Time / Walltime 8x12 (%) | Max Thread Time / Walltime 8x16 (%) | Max Thread Time / Walltime 8x20 (%) | Max Thread Time / Walltime 8x24 (%) | Exclusive Coverage 8x1 (%) | Exclusive Coverage 8x8 (%) | Exclusive Coverage 8x12 (%) | Exclusive Coverage 8x16 (%) | Exclusive Coverage 8x20 (%) | Exclusive Coverage 8x24 (%) | Inclusive Coverage 8x1 (%) | Inclusive Coverage 8x8 (%) | Inclusive Coverage 8x12 (%) | Inclusive Coverage 8x16 (%) | Inclusive Coverage 8x20 (%) | Inclusive Coverage 8x24 (%) | Max Exclusive Time Over Threads 8x1 (s) | Max Exclusive Time Over Threads 8x8 (s) | Max Exclusive Time Over Threads 8x12 (s) | Max Exclusive Time Over Threads 8x16 (s) | Max Exclusive Time Over Threads 8x20 (s) | Max Exclusive Time Over Threads 8x24 (s) | Max Inclusive Time Over Threads 8x1 (s) | Max Inclusive Time Over Threads 8x8 (s) | Max Inclusive Time Over Threads 8x12 (s) | Max Inclusive Time Over Threads 8x16 (s) | Max Inclusive Time Over Threads 8x20 (s) | Max Inclusive Time Over Threads 8x24 (s) | Exclusive Time w.r.t. Wall Time 8x1 (s) | Exclusive Time w.r.t. Wall Time 8x8 (s) | Exclusive Time w.r.t. Wall Time 8x12 (s) | Exclusive Time w.r.t. Wall Time 8x16 (s) | Exclusive Time w.r.t. Wall Time 8x20 (s) | Exclusive Time w.r.t. Wall Time 8x24 (s) | Inclusive Time w.r.t. Wall Time 8x1 (s) | Inclusive Time w.r.t. Wall Time 8x8 (s) | Inclusive Time w.r.t. Wall Time 8x12 (s) | Inclusive Time w.r.t. Wall Time 8x16 (s) | Inclusive Time w.r.t. Wall Time 8x20 (s) | Inclusive Time w.r.t. Wall Time 8x24 (s) | Nb Threads 8x1 | Nb Threads 8x8 | Nb Threads 8x12 | Nb Threads 8x16 | Nb Threads 8x20 | Nb Threads 8x24 | Vectorization Ratio (%) | Vector Length Use (%) | Speedup If No Scalar Integer | Speedup If FP Vectorized | Speedup If Fully Vectorized | Speedup If Perfect Load Balancing 8x1 | Speedup If Perfect Load Balancing 8x8 | Speedup If Perfect Load Balancing 8x12 | Speedup If Perfect Load Balancing 8x16 | Speedup If Perfect Load Balancing 8x20 | Speedup If Perfect Load Balancing 8x24 | Stride 0 | Stride 1 | Stride n | Stride Unknown | Stride Indirect | Array Access Efficiency | (8x1) Efficiency | (8x1) Potential Speed-Up (%) | (8x8) Efficiency | (8x8) Potential Speed-Up (%) | (8x12) Efficiency | (8x12) Potential Speed-Up (%) | (8x16) Efficiency | (8x16) Potential Speed-Up (%) | (8x20) Efficiency | (8x20) Potential Speed-Up (%) | (8x24) Efficiency | (8x24) Potential Speed-Up (%) |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 97 | exec - ljForce.c:191-216 [...] | ljForce.extracted | Innermost | 92.08 | 82.46 | 79.42 | 75.78 | 74.31 | 72.00 | 91.91 | 82.43 | 76.83 | 74.14 | 67.92 | 65.78 | 91.91 | 82.43 | 76.83 | 74.14 | 67.92 | 65.78 | 369.04 | 47.15 | 34.37 | 27.32 | 24.96 | 22.16 | 369.04 | 47.15 | 34.37 | 27.32 | 24.96 | 22.16 | 368.04 | 46.84 | 32.97 | 26.46 | 22.57 | 20.03 | 368.04 | 46.84 | 32.97 | 26.46 | 22.57 | 20.03 | 8 | 40 | 72 | 104 | 136 | 168 | 35.93 | 16.99 | 1 | 2.39 | 6.76 | 1 | 1.01 | 1.04 | 1.03 | 1.11 | 1.11 | 1.33 | 1 | 0 | 0.67 | 0 | 93.33 | 1 | 0 | 1.57 | 0 | 1.24 | 0 | 1.07 | 0 | 0.96 | 2.76 | 0.88 | 8.22 |
| 104 | exec - timestep.c:74-78 | advanceVelocity.extracted | Innermost | 1.60 | 1.82 | 1.89 | 2.14 | 2.04 | 2.05 | 1.58 | 1.73 | 1.77 | 1.86 | 1.81 | 1.74 | 1.58 | 1.73 | 1.77 | 1.86 | 1.81 | 1.74 | 6.39 | 1.04 | 0.82 | 0.77 | 0.69 | 0.63 | 6.39 | 1.04 | 0.82 | 0.77 | 0.69 | 0.63 | 6.33 | 0.98 | 0.76 | 0.66 | 0.60 | 0.53 | 6.33 | 0.98 | 0.76 | 0.66 | 0.60 | 0.53 | 8 | 40 | 72 | 104 | 136 | 168 | 97.22 | 72.57 | 1.01 | 1 | 1.05 | 1.01 | 1.06 | 1.08 | 1.17 | 1.14 | 1.19 | 0 | 1 | 0 | 0 | 2 | 33.33 | 1 | 0 | 1.29 | 0 | 0.93 | 0.13 | 0.74 | 0.49 | 0.62 | 0.69 | 0.57 | 0.75 |
| 66 | exec - haloExchange.c:621-630 | sortAtomsInCell | Single | 1.26 | 1.59 | 1.66 | 1.68 | 1.73 | 1.71 | 1.22 | 1.34 | 1.40 | 1.46 | 1.49 | 1.51 | 1.22 | 1.34 | 1.40 | 1.46 | 1.49 | 1.51 | 5.06 | 0.91 | 0.72 | 0.61 | 0.58 | 0.52 | 5.06 | 0.91 | 0.72 | 0.61 | 0.58 | 0.52 | 4.87 | 0.76 | 0.60 | 0.52 | 0.50 | 0.46 | 4.87 | 0.76 | 0.60 | 0.52 | 0.50 | 0.46 | 8 | 40 | 72 | 104 | 136 | 168 | 97.22 | 60.07 | 1 | 1 | 2.01 | 1.04 | 1.2 | 1.2 | 1.16 | 1.17 | 1.15 | 0 | 2 | 0 | 0 | 1 | 66.67 | 1 | 0 | 1.28 | 0 | 0.9 | 0.14 | 0.72 | 0.42 | 0.58 | 0.63 | 0.5 | 0.75 |
| 96 | exec - ljForce.c:187-216 [...] | ljForce.extracted | InBetween | 0.98 | 1.08 | 0.96 | 1.14 | 1.10 | 0.96 | 0.94 | 0.84 | 0.78 | 0.75 | 0.74 | 0.66 | 92.85 | 83.27 | 77.60 | 74.89 | 68.66 | 66.45 | 3.94 | 0.61 | 0.42 | 0.41 | 0.37 | 0.30 | 372.98 | 47.62 | 34.73 | 27.56 | 25.23 | 22.35 | 3.75 | 0.48 | 0.33 | 0.27 | 0.25 | 0.20 | 371.79 | 47.32 | 33.30 | 26.73 | 22.81 | 20.23 | 8 | 40 | 72 | 104 | 136 | 168 | 0 | 6.25 | 1 | 1 | 16 | 1.05 | 1.29 | 1.25 | 1.53 | 1.51 | 1.46 | 0 | 0 | 0 | 2 | 0 | 50.00 | 1 | 0 | 1.57 | 0 | 1.25 | 0 | 1.08 | 0 | 0.9 | 0.07 | 0.88 | 0.08 |
| 90 | exec - linkCells.c:211-373 [...] | updateLinkCells | Innermost | 0.78 | 5.54 | 7.44 | 9.14 | 9.97 | 11.34 | 0.78 | 1.11 | 0.83 | 0.70 | 0.59 | 0.53 | 0.78 | 1.11 | 0.83 | 0.70 | 0.59 | 0.53 | 3.14 | 3.17 | 3.22 | 3.30 | 3.35 | 3.49 | 3.14 | 3.17 | 3.22 | 3.30 | 3.35 | 3.49 | 3.11 | 0.63 | 0.35 | 0.25 | 0.20 | 0.16 | 3.11 | 0.63 | 0.35 | 0.25 | 0.20 | 0.16 | 8 | 8 | 8 | 8 | 8 | 8 | 17.39 | 12.5 | 2.92 | 2.2 | 11.53 | 1.01 | 1 | 1.01 | 1.02 | 1.01 | 1.04 | NA | NA | NA | NA | NA | 0.00 | 1 | 0 | 0.98 | 0.02 | 0.98 | 0.02 | 0.96 | 0.03 | 0.94 | 0.04 | 0.92 | 0.04 |
| 99 | exec - ljForce.c:158-162 [...] | ljForce.extracted.27 | Single | 0.39 | 1.59 | 2.10 | 2.57 | 2.66 | 2.96 | 0.39 | 1.55 | 2.05 | 2.34 | 2.56 | 2.80 | 0.39 | 1.55 | 2.05 | 2.34 | 2.56 | 2.80 | 1.58 | 0.91 | 0.91 | 0.93 | 0.89 | 0.91 | 1.58 | 0.91 | 0.91 | 0.93 | 0.89 | 0.91 | 1.56 | 0.88 | 0.88 | 0.84 | 0.85 | 0.85 | 1.56 | 0.88 | 0.88 | 0.84 | 0.85 | 0.85 | 8 | 40 | 72 | 104 | 136 | 168 | 33.33 | 12.5 | 1.56 | 1 | 6.25 | 1.01 | 1.03 | 1.04 | 1.11 | 1.06 | 1.07 | 0 | 2 | 0 | 0 | 0 | 100.00 | 1 | 0 | 0.35 | 1 | 0.2 | 1.64 | 0.14 | 2.01 | 0.11 | 2.28 | 0.09 | 2.56 |
| 107 | exec - timestep.c:85-96 | advancePosition.extracted | Outermost | 0.38 | 0.55 | 0.70 | 0.76 | 0.79 | 0.84 | 0.36 | 0.46 | 0.52 | 0.57 | 0.56 | 0.59 | 0.55 | 0.74 | 0.84 | 0.91 | 0.89 | 0.97 | 1.51 | 0.31 | 0.30 | 0.28 | 0.27 | 0.26 | 2.51 | 0.49 | 0.44 | 0.40 | 0.36 | 0.35 | 1.43 | 0.26 | 0.22 | 0.20 | 0.19 | 0.18 | 2.22 | 0.42 | 0.36 | 0.32 | 0.30 | 0.30 | 8 | 40 | 72 | 104 | 136 | 168 | 82.18 | 67.57 | 1.11 | 1 | 1.08 | 1.06 | 1.2 | 1.36 | 1.35 | 1.42 | 1.46 | NA | NA | NA | NA | NA | 0.00 | 1 | 0 | 1.08 | 0 | 0.71 | 0.15 | 0.54 | 0.26 | 0.45 | 0.31 | 0.38 | 0.36 |
| 95 | exec - ljForce.c:178-216 [...] | ljForce.extracted | InBetween | 0.37 | 0.45 | 0.45 | 0.43 | 0.57 | 0.39 | 0.34 | 0.31 | 0.29 | 0.29 | 0.26 | 0.25 | 93.19 | 83.58 | 77.89 | 75.18 | 68.92 | 66.69 | 1.47 | 0.25 | 0.19 | 0.16 | 0.19 | 0.12 | 374.45 | 47.79 | 34.85 | 27.70 | 25.32 | 22.46 | 1.37 | 0.18 | 0.12 | 0.10 | 0.09 | 0.07 | 373.16 | 47.50 | 33.42 | 26.83 | 22.90 | 20.31 | 8 | 40 | 72 | 104 | 136 | 167 | 0 | 10.16 | 1 | 1 | 13.25 | 1.07 | 1.45 | 1.58 | 1.51 | 2.18 | 1.6 | NA | NA | NA | NA | NA | 50.00 | 1 | 0 | 1.56 | 0 | 1.23 | 0 | 1.02 | 0 | 0.92 | 0.02 | 0.87 | 0.03 |
| 103 | exec - timestep.c:74-77 | advanceVelocity.extracted | Innermost | 0.32 | 0.45 | 0.50 | 0.55 | 0.54 | 0.55 | 0.30 | 0.31 | 0.34 | 0.36 | 0.36 | 0.35 | 0.30 | 0.31 | 0.34 | 0.36 | 0.36 | 0.35 | 1.27 | 0.25 | 0.21 | 0.20 | 0.18 | 0.17 | 1.27 | 0.25 | 0.21 | 0.20 | 0.18 | 0.17 | 1.21 | 0.18 | 0.15 | 0.13 | 0.12 | 0.11 | 1.21 | 0.18 | 0.15 | 0.13 | 0.12 | 0.11 | 8 | 40 | 72 | 104 | 136 | 168 | 50 | 18.75 | 1 | 1 | 5.33 | 1.05 | 1.44 | 1.46 | 1.54 | 1.51 | 1.61 | 0 | 2 | 0 | 0 | 0 | 100.00 | 1 | 0 | 1.37 | 0 | 0.91 | 0.03 | 0.72 | 0.1 | 0.59 | 0.15 | 0.54 | 0.16 |
| 109 | exec - timestep.c:88-94 | advancePosition.extracted | Innermost | 0.20 | 0.35 | 0.40 | 0.39 | 0.46 | 0.49 | 0.19 | 0.23 | 0.26 | 0.28 | 0.27 | 0.32 | 0.19 | 0.23 | 0.26 | 0.28 | 0.27 | 0.32 | 0.79 | 0.20 | 0.18 | 0.14 | 0.16 | 0.15 | 0.79 | 0.20 | 0.18 | 0.14 | 0.16 | 0.15 | 0.74 | 0.13 | 0.11 | 0.10 | 0.09 | 0.10 | 0.74 | 0.13 | 0.11 | 0.10 | 0.09 | 0.10 | 8 | 40 | 72 | 104 | 136 | 168 | 100 | 95.24 | 1 | 1 | 1.06 | 1.07 | 1.51 | 1.59 | 1.4 | 1.76 | 1.55 | 0 | 3 | 0 | 0 | 1 | 75.00 | 1 | 0 | 1.12 | 0 | 0.75 | 0.07 | 0.57 | 0.12 | 0.49 | 0.14 | 0.36 | 0.2 |