Run 2x1 | Number processes: 1Number nodes: 1Run Command: <executable> -x 100 -y 100 -z 100 --xproc=2 --yproc=1 --zproc=1MPI Command: mpirun -np 2Dataset: Run Directory: /beegfs/hackathon/users/eoseret/qaas_runs/170-850-7424/intel/CoMD/run/oneview_runs/compilers/gcc_4/oneview_run_1708509263I_MPI_PIN_DOMAIN: auto:scatterOMP_PLACES: threadsOMP_PROC_BIND: spreadOMP_NUM_THREADS: 1 |
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Run 2x2 | OMP_NUM_THREADS: 2I_MPI_PIN_DOMAIN: auto:scatterOMP_PLACES: threadsOMP_PROC_BIND: spread |
Run 2x4 | OMP_NUM_THREADS: 4I_MPI_PIN_DOMAIN: auto:scatterOMP_PLACES: threadsOMP_PROC_BIND: spread |
Run 2x8 | OMP_NUM_THREADS: 8I_MPI_PIN_DOMAIN: auto:scatterOMP_PLACES: threadsOMP_PROC_BIND: spread |
Run 2x16 | OMP_NUM_THREADS: 16I_MPI_PIN_DOMAIN: auto:scatterOMP_PLACES: threadsOMP_PROC_BIND: spread |
Run 2x32 | OMP_NUM_THREADS: 32I_MPI_PIN_DOMAIN: auto:scatterOMP_PLACES: threadsOMP_PROC_BIND: spread |
Run 2x64 | OMP_NUM_THREADS: 64I_MPI_PIN_DOMAIN: auto:scatterOMP_PLACES: threadsOMP_PROC_BIND: spread |
Run 2x96 | OMP_NUM_THREADS: 96I_MPI_PIN_DOMAIN: auto:scatterOMP_PLACES: threadsOMP_PROC_BIND: spread |
Loop id | Source Location | Source Function | Level | Coverage 2x1 (%) | Coverage 2x2 (%) | Coverage 2x4 (%) | Coverage 2x8 (%) | Coverage 2x16 (%) | Coverage 2x32 (%) | Coverage 2x64 (%) | Coverage 2x96 (%) | Max Time Over Threads 2x1 (s) | Max Time Over Threads 2x2 (s) | Max Time Over Threads 2x4 (s) | Max Time Over Threads 2x8 (s) | Max Time Over Threads 2x16 (s) | Max Time Over Threads 2x32 (s) | Max Time Over Threads 2x64 (s) | Max Time Over Threads 2x96 (s) | Time w.r.t. Wall Time 2x1 (s) | Time w.r.t. Wall Time 2x2 (s) | Time w.r.t. Wall Time 2x4 (s) | Time w.r.t. Wall Time 2x8 (s) | Time w.r.t. Wall Time 2x16 (s) | Time w.r.t. Wall Time 2x32 (s) | Time w.r.t. Wall Time 2x64 (s) | Time w.r.t. Wall Time 2x96 (s) | Nb Threads 2x1 | Nb Threads 2x2 | Nb Threads 2x4 | Nb Threads 2x8 | Nb Threads 2x16 | Nb Threads 2x32 | Nb Threads 2x64 | Nb Threads 2x96 | GFLOPS 2x1 | GFLOPS 2x2 | GFLOPS 2x4 | GFLOPS 2x8 | GFLOPS 2x16 | GFLOPS 2x32 | GFLOPS 2x64 | GFLOPS 2x96 | 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 2x32 | Speedup If Perfect Load Balancing 2x64 | Speedup If Perfect Load Balancing 2x96 | 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 (%) | (2x32) Efficiency | (2x32) Potential Speed-Up (%) | (2x64) Efficiency | (2x64) Potential Speed-Up (%) | (2x96) Efficiency | (2x96) Potential Speed-Up (%) |
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87 | exec - ljForce.c:191-216 [...] | ljForce._omp_fn.1 | Innermost | 87.73 | 86.34 | 85.39 | 81.57 | 77.26 | 71.18 | 62.44 | 56.54 | 251.85 | 126.22 | 63.3 | 31.89 | 16.31 | 8.97 | 4.91 | 3.66 | 251.75 | 128.25 | 65.77 | 34.66 | 19.37 | 10.8 | 6.84 | 5.63 | 2 | 4 | 8 | 16 | 32 | 64 | 128 | 192 | 9.70 | 19.00 | 37.00 | 70.59 | 126.62 | 227.02 | 358.55 | 435.51 | 0 | 12.5 | 1 | 1.65 | 4 | 1 | 1 | 1 | 1.01 | 1.03 | 1.13 | 1.24 | 1.29 | NA | NA | NA | NA | NA | 1 | 0 | 0.98 | 1.6 | 0.96 | 3.68 | 0.91 | 7.51 | 0.79 | 16.4 | 0.73 | 19.33 | 0.58 | 26.53 | 0.47 | 30.2 |
86 | exec - ljForce.c:187-216 [...] | ljForce._omp_fn.1 | InBetween | 6.37 | 6.31 | 6.31 | 5.98 | 5.6 | 5.26 | 4.61 | 4.16 | 18.42 | 9.42 | 4.84 | 2.43 | 1.36 | 0.75 | 0.46 | 0.33 | 18.26 | 9.37 | 4.86 | 2.54 | 1.4 | 0.8 | 0.51 | 0.41 | 2 | 4 | 8 | 16 | 32 | 64 | 128 | 192 | 13.81 | 27.42 | 53.46 | 97.89 | 173.57 | 304.86 | 476.78 | 593.42 | 0 | 12.32 | 1.12 | 1.78 | 4.47 | 1.01 | 1.02 | 1.04 | 1.05 | 1.18 | 1.27 | 1.59 | 1.57 | NA | NA | NA | NA | NA | 1 | 0 | 0.97 | 0.16 | 0.94 | 0.38 | 0.9 | 0.61 | 0.79 | 1.17 | 0.71 | 1.51 | 0.56 | 2.03 | 0.46 | 2.23 |
55 | exec - haloExchange.c:621-630 | sortAtomsInCell | Single | 1.08 | 1.2 | 1.36 | 1.52 | 1.49 | 1.49 | 1.8 | 1.9 | 3.16 | 2.34 | 1.33 | 0.84 | 0.44 | 0.25 | 0.19 | 0.22 | 3.09 | 1.78 | 1.05 | 0.65 | 0.37 | 0.23 | 0.2 | 0.19 | 2 | 4 | 8 | 16 | 32 | 64 | 128 | 192 | 1.46 | 2.70 | 4.74 | 7.60 | 13.09 | 20.87 | 23.96 | 24.68 | 0 | 10.94 | 1.33 | 1 | 6.1 | 1.02 | 1.34 | 1.33 | 1.42 | 1.42 | 1.47 | 1.73 | 2.2 | 0 | 2 | 5 | 0 | 0 | 1 | 0 | 0.87 | 0.16 | 0.74 | 0.36 | 0.59 | 0.62 | 0.51 | 0.74 | 0.42 | 0.86 | 0.24 | 1.37 | 0.17 | 1.58 |
78 | exec - linkCells.c:211-373 [...] | updateLinkCells | Innermost | 0.84 | 1.02 | 1.12 | 1.1 | 1.04 | 0.91 | 0.82 | 0.7 | 2.42 | 3.42 | 3.78 | 3.96 | 3.95 | 3.67 | 3.81 | 3.89 | 2.41 | 1.51 | 0.86 | 0.47 | 0.26 | 0.14 | 0.09 | 0.07 | 2 | 2 | 2 | 2 | 2 | 2 | 2 | 2 | 3.97 | 6.36 | 11.20 | 20.45 | 37.10 | 68.84 | 107.04 | 137.47 | 0 | 10 | 1.76 | 3.47 | 14.04 | 1 | 1.15 | 1.15 | 1.16 | 1.17 | 1.13 | 1.14 | 1.15 | NA | NA | NA | NA | NA | 1 | 0 | 0.8 | 0.21 | 0.7 | 0.34 | 0.64 | 0.39 | 0.56 | 0.46 | 0.54 | 0.42 | 0.42 | 0.48 | 0.36 | 0.45 |
97 | exec - timestep.c:74-78 | advanceVelocity._omp_fn.0 | Innermost | 0.68 | 0.67 | 0.56 | 0.47 | 0.53 | 0.54 | 0.61 | 0.84 | 2.07 | 1.02 | 0.47 | 0.22 | 0.17 | 0.1 | 0.09 | 0.11 | 1.95 | 0.99 | 0.43 | 0.2 | 0.13 | 0.08 | 0.07 | 0.08 | 2 | 4 | 8 | 16 | 32 | 64 | 128 | 192 | 2.12 | 4.05 | 9.31 | 19.19 | 30.92 | 49.70 | 65.22 | 55.28 | 0 | 12.5 | 1 | 1 | 4.8 | 1.06 | 1.05 | 1.12 | 1.22 | 1.55 | 1.67 | 2.25 | 2.75 | 0 | 2 | 0 | 0 | 0 | 1 | 0 | 0.98 | 0.01 | 1.13 | 0 | 1.22 | 0 | 0.91 | 0.05 | 0.76 | 0.13 | 0.44 | 0.34 | 0.25 | 0.63 |
95 | exec - timestep.c:88-94 | advancePosition._omp_fn.0 | Innermost | 0.52 | 0.5 | 0.46 | 0.46 | 0.39 | 0.39 | 0.54 | 0.41 | 1.51 | 0.77 | 0.39 | 0.23 | 0.12 | 0.08 | 0.07 | 0.06 | 1.49 | 0.74 | 0.36 | 0.19 | 0.1 | 0.06 | 0.06 | 0.04 | 2 | 4 | 8 | 16 | 32 | 64 | 128 | 192 | 2.11 | 4.36 | 8.55 | 16.16 | 31.41 | 51.63 | 54.10 | 81.19 | 0 | 12.5 | 1 | 1.46 | 4 | 1.01 | 1.07 | 1.15 | 1.28 | 1.5 | 2 | 2.33 | 3 | 0 | 3 | 0 | 0 | 2 | 1 | 0 | 1.01 | -0 | 1.03 | 0 | 0.98 | 0.01 | 0.9 | 0.04 | 0.78 | 0.09 | 0.39 | 0.33 | 0.39 | 0.25 |
96 | exec - timestep.c:74-78 | advanceVelocity._omp_fn.0 | Outermost | 0.51 | 0.47 | 0.48 | 0.42 | 0.39 | 0.46 | 0.43 | 1.01 | 1.57 | 0.8 | 0.44 | 0.2 | 0.16 | 0.08 | 0.07 | 0.12 | 1.45 | 0.7 | 0.37 | 0.18 | 0.1 | 0.07 | 0.05 | 0.1 | 2 | 4 | 8 | 16 | 32 | 64 | 128 | 192 | 2.13 | 4.54 | 8.72 | 18.94 | 30.96 | 45.70 | 53.95 | 26.64 | 0 | 12.41 | 1.05 | 1.05 | 4.74 | 1.08 | 1.16 | 1.26 | 1.25 | 2 | 1.6 | 2.33 | 2.4 | NA | NA | NA | NA | NA | 1 | 0 | 1.04 | 0 | 0.98 | 0.01 | 1.01 | -0 | 0.88 | 0.05 | 0.65 | 0.16 | 0.45 | 0.24 | 0.15 | 0.86 |
82 | exec - ljForce.c:161-161 [...] | ljForce._omp_fn.0 | Single | 0.38 | 0.4 | 0.39 | 1.21 | 1.71 | 1.91 | 2.09 | 2.35 | 1.11 | 0.62 | 0.34 | 1.05 | 0.68 | 0.5 | 0.28 | 0.22 | 1.1 | 0.59 | 0.3 | 0.52 | 0.43 | 0.29 | 0.23 | 0.23 | 2 | 4 | 8 | 16 | 32 | 64 | 128 | 192 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 6.25 | 1 | 1 | 16 | 1.01 | 1.07 | 1.21 | 2.23 | 1.94 | 2.38 | 2.15 | 1.83 | 0 | 2 | 0 | 0 | 0 | 1 | 0 | 0.93 | 0.03 | 0.92 | 0.03 | 0.26 | 0.89 | 0.16 | 1.44 | 0.12 | 1.68 | 0.07 | 1.93 | 0.05 | 2.23 |
85 | exec - ljForce.c:178-216 [...] | ljForce._omp_fn.1 | InBetween | 0.23 | 0.19 | 0.2 | 0.2 | 0.19 | 0.18 | 0.17 | 0.16 | 0.67 | 0.31 | 0.18 | 0.1 | 0.07 | 0.04 | 0.03 | 0.04 | 0.67 | 0.29 | 0.16 | 0.08 | 0.05 | 0.03 | 0.02 | 0.02 | 2 | 4 | 8 | 16 | 32 | 64 | 128 | 192 | 17.95 | 44.17 | 82.59 | 141.38 | 219.95 | 361.34 | 543.51 | 561.51 | 20 | 12.5 | 2.33 | 1 | 6.46 | 1 | 1.11 | 1.2 | 1.25 | 1.75 | 2 | 3 | 4 | NA | NA | NA | NA | NA | 1 | 0 | 1.16 | 0 | 1.05 | 0 | 1.05 | 0 | 0.81 | 0.04 | 0.7 | 0.05 | 0.52 | 0.08 | 0.35 | 0.1 |
94 | exec - timestep.c:88-94 | advancePosition._omp_fn.0 | Outermost | 0.12 | 0.13 | 0.13 | 0.12 | 0.11 | 0.11 | 0.17 | 0.15 | 0.35 | 0.21 | 0.13 | 0.08 | 0.04 | 0.03 | 0.03 | 0.03 | 0.34 | 0.19 | 0.1 | 0.05 | 0.03 | 0.02 | 0.02 | 0.01 | 2 | 4 | 8 | 16 | 32 | 64 | 128 | 190 | 2.45 | 4.18 | 8.70 | 18.98 | 28.75 | 44.44 | 41.13 | 81.00 | 0 | 12.15 | 1 | 1.4 | 4 | 1.03 | 1.11 | 1.3 | 1.6 | 2 | 3 | 3 | 3 | NA | NA | NA | NA | NA | 1 | 0 | 0.89 | 0.01 | 0.85 | 0.02 | 0.85 | 0.02 | 0.69 | 0.03 | 0.53 | 0.05 | 0.27 | 0.12 | 0.35 | 0.1 |
54 | exec - haloExchange.c:633-642 | sortAtomsInCell | Single | 0.12 | 0.3 | 0.47 | 0.93 | 1.07 | 1.12 | 1.3 | 1.25 | 0.41 | 0.83 | 0.48 | 0.74 | 0.44 | 0.3 | 0.21 | 0.2 | 0.34 | 0.44 | 0.36 | 0.4 | 0.27 | 0.17 | 0.14 | 0.12 | 2 | 4 | 8 | 16 | 32 | 64 | 128 | 192 | 4.32 | 3.14 | 3.96 | 3.80 | 6.05 | 8.97 | 10.81 | 12.17 | 0 | 10.94 | 1.33 | 1 | 6.1 | 1.21 | 1.93 | 1.37 | 2.06 | 2 | 2.5 | 2.63 | 3.33 | 0 | 2 | 5 | 0 | 0 | 1 | 0 | 0.39 | 0.18 | 0.24 | 0.36 | 0.11 | 0.83 | 0.08 | 0.99 | 0.06 | 1.05 | 0.04 | 1.25 | 0.03 | 1.21 |
33 | exec - haloExchange.c:380-390 | loadAtomsBuffer | Innermost | 0.11 | 0.13 | 0.12 | 0.13 | 0.11 | 0.1 | 0.1 | 0.08 | 0.33 | 0.38 | 0.43 | 0.41 | 0.42 | 0.42 | 0.4 | 0.38 | 0.31 | 0.19 | 0.09 | 0.05 | 0.03 | 0.02 | 0.01 | 0.01 | 2 | 2 | 2 | 2 | 2 | 2 | 2 | 2 | 1.94 | 2.97 | 6.40 | 11.75 | 19.42 | 29.31 | 59.00 | 62.00 | 0 | 11.25 | 1.13 | 1.18 | 6.18 | 1.06 | 1.03 | 1.19 | 1.02 | 1.14 | 1.14 | 1 | 1.03 | 1 | 4 | 1 | 0 | 0 | 1 | 0 | 0.82 | 0.02 | 0.86 | 0.02 | 0.77 | 0.03 | 0.63 | 0.04 | 0.48 | 0.05 | 0.48 | 0.05 | 0.32 | 0.05 |
100 | exec - timestep.c:110-116 | kineticEnergy._omp_fn.0 | Innermost | 0.04 | 0.04 | 0.04 | 0.03 | 0.03 | 0.04 | 0.04 | 0.05 | 0.13 | 0.06 | 0.03 | 0.03 | 0.02 | 0.01 | 0.01 | 0.01 | 0.13 | 0.06 | 0.03 | 0.01 | 0.01 | 0.01 | 0 | 0 | 2 | 4 | 8 | 16 | 32 | 64 | 115 | 164 | 2.88 | 5.98 | 11.79 | 34.88 | 40.63 | 36.88 | 0.00 | 0.00 | 0 | 12.5 | 1 | 3.1 | 4 | 1.08 | 1 | 1 | 3 | 2 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 2 | 1 | 0 | 1.08 | -0 | 1.08 | -0 | 1.63 | 0 | 0.79 | 0.01 | 0.41 | 0.02 | 1 | 0 | 1 | 0 |
83 | exec - ljForce.c:175-216 [...] | ljForce._omp_fn.1 | Outermost | 0.03 | 0.04 | 0.02 | 0.03 | 0.02 | 0.02 | 0.01 | 0.02 | 0.1 | 0.07 | 0.02 | 0.03 | 0.01 | 0.01 | 0.01 | 0.01 | 0.1 | 0.06 | 0.02 | 0.01 | 0.01 | 0 | 0 | 0 | 2 | 4 | 8 | 16 | 32 | 64 | 122 | 175 | 5.89 | 10.83 | 28.06 | 59.38 | 59.75 | 0.00 | 0.00 | 0.00 | 0 | 7.81 | 2.31 | 1 | 7.4 | 1.11 | 1.17 | 2 | 3 | 0 | 0 | 0 | 0 | 1.5 | 0 | 0 | 2.5 | 0 | 1 | 0 | 0.83 | 0.01 | 1.25 | 0 | 1.25 | 0 | 0.61 | 0.01 | 1 | 0 | 1 | 0 | 1 | 0 |
65 | exec - initAtoms.c:197-202 | randomDisplacements._omp_fn.0 | Innermost | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.05 | 0.02 | 0.01 | 0.01 | 0.02 | 0 | 0.01 | 0 | 0 | 0.02 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 0 | 2 | 4 | 7 | 14 | 20 | 19 | 17 | 107 | 0.31 | 1.63 | 1.38 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 12.5 | 1 | 2.53 | 8 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 3 | 1 | 1 | 2 | 3 | 1 | 0 | 1 | 0 | 0.5 | 0.01 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |