Run 2x1 | Number processes: 2Number nodes: 1Number processes per node: 2Run Command: <executable> -x 100 -y 100 -z 100 --xproc=2 --yproc=1 --zproc=1MPI Command: mpirun -np <number_processes>Dataset: Run Directory: /scratch_na/users/xoserete/qaas_runs/171-172-4338/intel/CoMD/run/oneview_runs/compilers/gcc_14/oneview_run_1711727524I_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 2x56 | OMP_NUM_THREADS: 56I_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 2x56 (%) | 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 2x56 (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 2x56 (s) | Nb Threads 2x1 | Nb Threads 2x2 | Nb Threads 2x4 | Nb Threads 2x8 | Nb Threads 2x16 | Nb Threads 2x32 | Nb Threads 2x56 | GFLOPS 2x1 | GFLOPS 2x2 | GFLOPS 2x4 | GFLOPS 2x8 | GFLOPS 2x16 | GFLOPS 2x32 | GFLOPS 2x56 | 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 2x56 | 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 (%) | (2x56) Efficiency | (2x56) Potential Speed-Up (%) |
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25 | exec - ljForce.c:191-216 [...] | ljForce._omp_fn.1 | Innermost | 88.05 | 86.86 | 85.86 | 83.95 | 79.32 | 69.18 | 57.8 | 444.29 | 221.82 | 111.32 | 56.21 | 28.34 | 15.43 | 9.26 | 443.77 | 223.68 | 114.77 | 59.23 | 31.63 | 17.79 | 11.18 | 2 | 4 | 8 | 16 | 32 | 64 | 112 | 4.77 | 9.46 | 18.44 | 35.73 | 66.95 | 118.99 | 189.35 | 12.5 | 14.06 | 1 | 3.16 | 4.88 | 1 | 1 | 1 | 1.01 | 1.02 | 1.11 | 1.16 | NA | NA | NA | NA | NA | 1 | 0 | 0.99 | 0.7 | 0.97 | 2.86 | 0.94 | 5.33 | 0.88 | 9.77 | 0.78 | 15.25 | 0.71 | 16.83 |
24 | exec - ljForce.c:187-216 [...] | ljForce._omp_fn.1 | InBetween | 7.05 | 7.14 | 7.15 | 6.98 | 6.52 | 5.69 | 4.81 | 35.68 | 18.44 | 9.61 | 4.96 | 2.56 | 1.51 | 0.87 | 35.54 | 18.39 | 9.56 | 4.93 | 2.6 | 1.46 | 0.93 | 2 | 4 | 8 | 16 | 32 | 64 | 112 | 4.97 | 9.55 | 18.42 | 35.73 | 67.36 | 120.25 | 188.40 | 11.76 | 13.79 | 1 | 3.29 | 5.25 | 1.01 | 1.01 | 1.04 | 1.07 | 1.12 | 1.31 | 1.32 | NA | NA | NA | NA | NA | 1 | 0 | 0.97 | 0.24 | 0.93 | 0.5 | 0.9 | 0.69 | 0.85 | 0.95 | 0.76 | 1.36 | 0.68 | 1.53 |
16 | exec - ljForce.c:161-161 [...] | ljForce._omp_fn.0 | Single | 0.81 | 1.21 | 1.42 | 1.76 | 2.59 | 5.06 | 7.12 | 4.1 | 3.61 | 1.97 | 1.26 | 0.99 | 1.16 | 1.2 | 4.07 | 3.11 | 1.9 | 1.24 | 1.03 | 1.3 | 1.38 | 2 | 4 | 8 | 16 | 32 | 64 | 112 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 33.33 | 12.5 | 3 | 1 | 8 | 1.01 | 1.18 | 1.07 | 1.09 | 1.09 | 1.14 | 1.22 | 0 | 1 | 1 | 0 | 0 | 1 | 0 | 0.65 | 0.42 | 0.54 | 0.66 | 0.41 | 1.04 | 0.25 | 1.95 | 0.1 | 4.56 | 0.05 | 6.75 |
23 | exec - ljForce.c:178-216 [...] | ljForce._omp_fn.1 | InBetween | 0.36 | 0.39 | 0.41 | 0.39 | 0.36 | 0.32 | 0.32 | 1.87 | 1.03 | 0.6 | 0.29 | 0.16 | 0.11 | 0.09 | 1.83 | 1 | 0.55 | 0.28 | 0.14 | 0.08 | 0.06 | 2 | 4 | 8 | 16 | 32 | 64 | 112 | 7.27 | 14.28 | 25.92 | 51.99 | 102.35 | 182.67 | 245.49 | 16.67 | 11.46 | 2.89 | 1 | 14.9 | 1.02 | 1.04 | 1.11 | 1.12 | 1.23 | 1.83 | 2.25 | NA | NA | NA | NA | NA | 1 | 0 | 0.92 | 0.03 | 0.83 | 0.07 | 0.82 | 0.07 | 0.82 | 0.07 | 0.71 | 0.09 | 0.54 | 0.15 |
18 | exec - timestep.c:74-78 | advanceVelocity._omp_fn.0 | Innermost | 0.34 | 0.36 | 0.46 | 0.65 | 1.41 | 2.11 | 2.79 | 1.71 | 0.96 | 0.66 | 0.5 | 0.57 | 0.58 | 0.65 | 1.7 | 0.92 | 0.62 | 0.46 | 0.56 | 0.54 | 0.54 | 2 | 4 | 8 | 16 | 32 | 64 | 112 | 1.61 | 2.92 | 4.40 | 6.08 | 5.23 | 5.58 | 5.85 | 0 | 12.5 | 1 | 1 | 8 | 1.01 | 1.05 | 1.1 | 1.16 | 1.16 | 1.38 | 1.67 | 0 | 2 | 0 | 0 | 0 | 1 | 0 | 0.92 | 0.03 | 0.69 | 0.14 | 0.46 | 0.35 | 0.19 | 1.14 | 0.1 | 1.9 | 0.06 | 2.63 |
17 | exec - timestep.c:74-78 | advanceVelocity._omp_fn.0 | Outermost | 0.32 | 0.37 | 0.42 | 0.68 | 1.08 | 1.6 | 2.24 | 1.67 | 0.98 | 0.61 | 0.53 | 0.48 | 0.62 | 0.6 | 1.62 | 0.95 | 0.56 | 0.48 | 0.43 | 0.41 | 0.43 | 2 | 4 | 8 | 16 | 32 | 64 | 112 | 1.27 | 2.22 | 3.70 | 4.17 | 4.37 | 4.31 | 3.84 | 0 | 12.41 | 1.29 | 1.31 | 9.79 | 1.03 | 1.04 | 1.13 | 1.18 | 1.26 | 1.94 | 1.94 | NA | NA | NA | NA | NA | 1 | 0 | 0.85 | 0.05 | 0.72 | 0.12 | 0.42 | 0.39 | 0.24 | 0.83 | 0.12 | 1.4 | 0.07 | 2.09 |
61 | exec - haloExchange.c:621-630 | sortAtomsInCell | Single | 0.29 | 0.3 | 0.3 | 0.39 | 0.57 | 1.72 | 2.38 | 1.5 | 0.87 | 0.44 | 0.36 | 0.28 | 0.43 | 0.44 | 1.45 | 0.77 | 0.41 | 0.27 | 0.23 | 0.44 | 0.46 | 2 | 4 | 8 | 16 | 32 | 64 | 112 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 10.94 | 1.33 | 1 | 9.14 | 1.03 | 1.13 | 1.13 | 1.38 | 1.4 | 1.23 | 1.33 | 0 | 2 | 5 | 0 | 0 | 1 | 0 | 0.94 | 0.02 | 0.88 | 0.03 | 0.67 | 0.13 | 0.39 | 0.35 | 0.1 | 1.54 | 0.06 | 2.25 |
20 | exec - timestep.c:88-94 | advancePosition._omp_fn.0 | Innermost | 0.25 | 0.26 | 0.29 | 0.44 | 0.88 | 1.46 | 1.93 | 1.24 | 0.71 | 0.44 | 0.34 | 0.37 | 0.38 | 0.39 | 1.24 | 0.67 | 0.38 | 0.31 | 0.35 | 0.37 | 0.37 | 2 | 4 | 8 | 16 | 32 | 64 | 112 | 2.31 | 4.16 | 7.39 | 9.23 | 8.32 | 8.22 | 8.28 | 0 | 12.5 | 1 | 1.68 | 2 | 1 | 1.08 | 1.19 | 1.17 | 1.19 | 1.31 | 1.44 | 0 | 3 | 0 | 0 | 2 | 1 | 0 | 0.93 | 0.02 | 0.82 | 0.05 | 0.5 | 0.22 | 0.22 | 0.69 | 0.1 | 1.31 | 0.06 | 1.81 |
19 | exec - timestep.c:88-94 | advancePosition._omp_fn.0 | Outermost | 0.09 | 0.12 | 0.16 | 0.26 | 0.46 | 0.69 | 1.05 | 0.47 | 0.34 | 0.24 | 0.22 | 0.21 | 0.31 | 0.29 | 0.47 | 0.31 | 0.22 | 0.18 | 0.18 | 0.18 | 0.2 | 2 | 4 | 8 | 16 | 32 | 64 | 112 | 2.41 | 3.90 | 5.41 | 6.33 | 5.96 | 5.36 | 4.72 | 0 | 12.15 | 1.13 | 1.83 | 2.25 | 1.02 | 1.1 | 1.14 | 1.29 | 1.31 | 2.21 | 2.07 | NA | NA | NA | NA | NA | 1 | 0 | 0.76 | 0.03 | 0.53 | 0.07 | 0.33 | 0.18 | 0.16 | 0.38 | 0.08 | 0.63 | 0.04 | 1.01 |
60 | exec - haloExchange.c:633-642 | sortAtomsInCell | Single | 0.08 | 0.08 | 0.07 | 0.07 | 0.06 | 0.06 | 0.06 | 0.41 | 0.25 | 0.13 | 0.07 | 0.05 | 0.04 | 0.04 | 0.41 | 0.21 | 0.1 | 0.05 | 0.03 | 0.02 | 0.01 | 2 | 4 | 8 | 16 | 32 | 60 | 87 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 10.94 | 1.33 | 1 | 9.14 | 1 | 1.25 | 1.44 | 1.4 | 2.5 | 4 | 4 | 0 | 2 | 5 | 0 | 0 | 1 | 0 | 0.98 | 0 | 1.02 | -0 | 1.02 | -0 | 0.85 | 0.01 | 0.64 | 0.02 | 0.73 | 0.02 |
2 | exec - haloExchange.c:380-390 | loadAtomsBuffer | Innermost | 0.07 | 0.09 | 0.08 | 0.08 | 0.07 | 0.06 | 0.06 | 0.36 | 0.49 | 0.43 | 0.47 | 0.41 | 0.42 | 0.47 | 0.34 | 0.23 | 0.11 | 0.06 | 0.03 | 0.02 | 0.01 | 2 | 2 | 2 | 2 | 2 | 2 | 2 | 0.45 | 0.61 | 1.31 | 2.21 | 4.78 | 7.78 | 12.80 | 0 | 11.25 | 1.33 | 1 | 9.14 | 1.06 | 1.09 | 1.02 | 1.07 | 1.02 | 1 | 1.04 | 1 | 4 | 1 | 0 | 0 | 1 | 0 | 0.74 | 0.02 | 0.77 | 0.02 | 0.71 | 0.02 | 0.71 | 0.02 | 0.53 | 0.03 | 0.61 | 0.02 |
83 | exec - linkCells.c:295-301 | updateLinkCells | Innermost | 0.04 | 0.05 | 0.04 | 0.04 | 0.04 | 0.03 | 0.03 | 0.22 | 0.24 | 0.21 | 0.25 | 0.28 | 0.27 | 0.24 | 0.21 | 0.12 | 0.05 | 0.03 | 0.02 | 0.01 | 0.01 | 2 | 2 | 2 | 2 | 2 | 2 | 2 | 1.40 | 2.30 | 5.05 | 9.38 | 15.48 | 24.10 | 27.65 | 0 | 9.06 | 1 | 1 | 15.09 | 1.05 | 1 | 1.05 | 1.09 | 1.17 | 1.23 | 1 | 3 | 0 | 0 | 0 | 1 | 1 | 0 | 0.88 | 0.01 | 1.05 | -0 | 0.88 | 0.01 | 0.66 | 0.01 | 0.66 | 0.01 | 0.38 | 0.02 |
21 | exec - ljForce.c:175-216 [...] | ljForce._omp_fn.1 | Outermost | 0.03 | 0.03 | 0.03 | 0.03 | 0.03 | 0.03 | 0.02 | 0.17 | 0.11 | 0.05 | 0.04 | 0.02 | 0.02 | 0.02 | 0.17 | 0.08 | 0.03 | 0.02 | 0.01 | 0.01 | 0 | 2 | 4 | 8 | 16 | 32 | 64 | 112 | 5.71 | 11.55 | 30.87 | 47.25 | 91.10 | 96.15 | 0.00 | 0 | 8.17 | 2.27 | 1 | 10.46 | 1 | 1.57 | 1.67 | 2 | 2 | 2 | 0 | 1.5 | 0 | 2.5 | 0 | 0 | 1 | 0 | 1.06 | -0 | 1.42 | 0 | 1.06 | -0 | 1.06 | -0 | 0.53 | 0.01 | 1 | 0 |
92 | exec - random.c:26-48 [...] | gasdev | Single | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.01 | 0.12 | 0.07 | 0.03 | 0.02 | 0.01 | 0.01 | 0.01 | 0.12 | 0.06 | 0.02 | 0.01 | 0.01 | 0 | 0 | 2 | 4 | 8 | 16 | 32 | 52 | 66 | 0.28 | 0.51 | 1.88 | 3.45 | 4.40 | 0.00 | 0.00 | 0 | 12.5 | 1 | 2.06 | 8 | 1 | 1.17 | 1.5 | 2 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 1.5 | 0 | 1.5 | 0 | 0.75 | 0.01 | 1 | 0 | 1 | 0 |
28 | exec - timestep.c:110-116 | kineticEnergy._omp_fn.0 | Innermost | 0.02 | 0.02 | 0.02 | 0.03 | 0.05 | 0.1 | 0.17 | 0.1 | 0.06 | 0.04 | 0.04 | 0.04 | 0.04 | 0.05 | 0.11 | 0.06 | 0.03 | 0.02 | 0.02 | 0.02 | 0.03 | 2 | 4 | 8 | 16 | 32 | 64 | 112 | 3.25 | 6.07 | 11.92 | 17.88 | 18.18 | 18.20 | 11.90 | 0 | 12.5 | 1 | 2 | 2 | 1 | 1 | 1.33 | 2 | 2 | 2 | 2.5 | 0 | 2 | 0 | 0 | 2 | 1 | 0 | 0.92 | 0 | 0.92 | 0 | 0.69 | 0.01 | 0.34 | 0.03 | 0.17 | 0.08 | 0.07 | 0.16 |
94 | exec - initAtoms.c:154-162 [...] | setTemperature._omp_fn.0 | Innermost | 0.02 | 0.02 | 0.02 | 0.01 | 0.02 | 0.01 | 0.01 | 0.11 | 0.06 | 0.04 | 0.02 | 0.02 | 0.01 | 0.01 | 0.1 | 0.05 | 0.02 | 0.01 | 0.01 | 0 | 0 | 2 | 4 | 8 | 16 | 32 | 54 | 74 | 0.37 | 0.90 | 2.10 | 3.90 | 3.45 | 0.00 | 0.00 | 0 | 12.07 | 1 | 3.09 | 11.76 | 1.1 | 1.2 | 2 | 2 | 2 | 0 | 0 | 2 | 2 | 0 | 2 | 0 | 1 | 0 | 1 | 0 | 1.25 | 0 | 1.25 | -0 | 0.63 | 0.01 | 1 | 0 | 1 | 0 |
15 | exec - initAtoms.c:197-202 [...] | randomDisplacements._omp_fn.0 | Innermost | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.03 | 0.11 | 0.05 | 0.03 | 0.02 | 0.01 | 0.01 | 0 | 0.11 | 0.06 | 0.03 | 0.02 | 0.01 | 0.01 | 0.01 | 2 | 4 | 8 | 16 | 32 | 59 | 111 | 0.44 | 0.80 | 1.60 | 2.43 | 4.85 | 1.60 | 4.15 | 2.31 | 12.64 | 11.09 | 1 | 8.23 | 1 | 1 | 1 | 2 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 1 | 0 | 0.92 | 0 | 0.92 | 0 | 0.69 | 0.01 | 0.69 | 0.01 | 0.34 | 0.01 | 0.2 | 0.02 |
27 | exec - timestep.c:110-116 | kineticEnergy._omp_fn.0 | Outermost | 0.01 | 0.01 | 0.01 | 0.01 | 0.03 | 0.05 | 0.08 | 0.04 | 0.03 | 0.02 | 0.02 | 0.02 | 0.04 | 0.04 | 0.03 | 0.03 | 0.01 | 0.01 | 0.01 | 0.01 | 0.02 | 2 | 4 | 8 | 16 | 32 | 63 | 108 | 1.93 | 1.73 | 5.85 | 5.70 | 5.50 | 4.95 | 2.93 | 0 | 12.08 | 1 | 2 | 2 | 1.33 | 1 | 2 | 2 | 2 | 4 | 4 | NA | NA | NA | NA | NA | 1 | 0 | 0.5 | 0.01 | 0.75 | 0 | 0.38 | 0.01 | 0.19 | 0.02 | 0.09 | 0.05 | 0.03 | 0.08 |
88 | exec - initAtoms.c:90-100 | createFccLattice | Innermost | 0.01 | 0.01 | 0.01 | 0.02 | 0.01 | 0.01 | 0.01 | 0.07 | 0.07 | 0.09 | 0.09 | 0.08 | 0.07 | 0.06 | 0.05 | 0.03 | 0.02 | 0.01 | 0 | 0 | 0 | 2 | 2 | 2 | 2 | 2 | 2 | 2 | 0.19 | 0.28 | 0.43 | 0.85 | 0.00 | 0.00 | 0.00 | 6.84 | 13.03 | 1.18 | 1.27 | 10.17 | 1.4 | 1.4 | 1.29 | 1.13 | 1.6 | 1.4 | 1 | NA | NA | NA | NA | NA | 1 | 0 | 0.83 | 0 | 0.63 | 0 | 0.63 | 0.01 | 1 | 0 | 1 | 0 | 1 | 0 |