| Name | Module | 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 | Deviation (coverage) 2x1 | Deviation (coverage) 2x2 | Deviation (coverage) 2x4 | Deviation (coverage) 2x8 | Deviation (coverage) 2x16 | Deviation (coverage) 2x32 | Deviation (coverage) 2x64 | Deviation (coverage) 2x96 | Deviation (walltime) 2x1 | Deviation (walltime) 2x2 | Deviation (walltime) 2x4 | Deviation (walltime) 2x8 | Deviation (walltime) 2x16 | Deviation (walltime) 2x32 | Deviation (walltime) 2x64 | Deviation (walltime) 2x96 | Categories 2x1 | Categories 2x2 | Categories 2x4 | Categories 2x8 | Categories 2x16 | Categories 2x32 | Categories 2x64 | Categories 2x96 | GFLOPS 2x1 | GFLOPS 2x2 | GFLOPS 2x4 | GFLOPS 2x8 | GFLOPS 2x16 | GFLOPS 2x32 | GFLOPS 2x64 | GFLOPS 2x96 | Compilation Options | (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 (%) |
| ►ljForce.extracted+ | exec | 94.42 | 91.38 | 86.44 | 79.98 | 69.05 | 50.05 | 36.45 | 29.14 | 274.12 | 137.01 | 69.19 | 34.47 | 17.56 | 9.83 | 5.29 | 3.91 | 274.15 | 137.17 | 68.95 | 34.58 | 17.43 | 8.8 | 4.43 | 3.25 | 2 | 4 | 8 | 16 | 32 | 64 | 128 | 192 | 0.01 | 0.18 | 0.47 | 0.25 | 1.16 | 4.16 | 4.09 | 3.38 | 0.00 | 0.05 | 0.28 | 0.10 | 0.30 | 0.74 | 0.49 | 0.37 | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | 13.53 | 27.04 | 53.80 | 107.26 | 212.80 | 421.50 | 837.26 | 1141.12 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) /cluster/intel/oneapi/2024.0.0/compiler/2024.0/bin/compiler/clang --intel -I /beegfs/hackathon/users/eoseret/qaas_runs/170-850-7424/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /c... | 1 | 0 | 1 | 0.06 | 0.99 | 0.52 | 0.99 | 0.72 | 0.98 | 1.17 | 0.97 | 1.32 | 0.97 | 1.2 | 0.88 | 3.54 |
| ►Loop 142 - ljForce.c:172-216 - exec [...]+ | | 0.02 | 0.03 | 0.02 | 0.02 | 0.02 | 0.01 | 0.01 | 0 | 0.05 | 0.08 | 0.04 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.05 | 0.05 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 2 | 4 | 8 | 16 | 32 | 63 | 118 | 160 | 0.00 | 0.01 | 0.02 | 0.01 | 0.02 | 0.02 | 0.02 | 0.02 | 0.00 | 0.02 | 0.01 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | 9.03 | 12.20 | 45.38 | 51.00 | 0.00 | 0.00 | 0.00 | 0.00 | | 1 | 0 | 0.5 | 0.01 | 1.25 | 0 | 0.63 | 0.01 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
| ►Loop 143 - ljForce.c:178-216 - exec [...]+ | | 0.33 | 0.31 | 0.31 | 0.28 | 0.24 | 0.17 | 0.13 | 0.1 | 1.03 | 0.51 | 0.28 | 0.15 | 0.1 | 0.06 | 0.07 | 0.04 | 0.95 | 0.46 | 0.25 | 0.12 | 0.06 | 0.03 | 0.02 | 0.01 | 2 | 4 | 8 | 16 | 32 | 64 | 128 | 192 | 0.04 | 0.03 | 0.03 | 0.05 | 0.07 | 0.07 | 0.08 | 0.07 | 0.12 | 0.04 | 0.02 | 0.02 | 0.02 | 0.01 | 0.01 | 0.01 | | | | | | | | | 18.85 | 38.57 | 70.81 | 143.03 | 282.48 | 564.92 | 874.89 | 1748.27 | | 1 | 0 | 1.03 | 0 | 0.95 | 0.02 | 0.99 | 0 | 0.99 | 0 | 0.99 | 0 | 0.74 | 0.03 | 0.99 | 0 |
| ►Loop 144 - ljForce.c:187-216 - exec [...]+ | | 0.93 | 0.88 | 0.86 | 0.76 | 0.66 | 0.46 | 0.37 | 0.29 | 2.74 | 1.39 | 0.77 | 0.4 | 0.22 | 0.13 | 0.09 | 0.07 | 2.71 | 1.32 | 0.69 | 0.33 | 0.17 | 0.08 | 0.05 | 0.03 | 2 | 4 | 8 | 16 | 32 | 64 | 128 | 192 | 0.02 | 0.05 | 0.07 | 0.13 | 0.14 | 0.12 | 0.13 | 0.13 | 0.05 | 0.08 | 0.05 | 0.06 | 0.03 | 0.02 | 0.02 | 0.01 | | | | | | | | | 15.00 | 31.74 | 60.27 | 128.02 | 244.98 | 518.87 | 821.71 | 1386.22 | | 1 | 0 | 1.03 | 0 | 0.98 | 0.02 | 1.03 | 0 | 1 | 0 | 1.06 | 0 | 0.85 | 0.06 | 0.94 | 0.02 |
| ○Loop 145 - ljForce.c:191-216 - exec [...] | | 93.14 | 90.16 | 85.25 | 78.92 | 68.12 | 49.41 | 35.94 | 28.74 | 270.53 | 135.18 | 68.29 | 34.03 | 17.33 | 9.72 | 5.23 | 3.86 | 270.44 | 135.34 | 68.01 | 34.12 | 17.2 | 8.68 | 4.36 | 3.2 | 2 | 4 | 8 | 16 | 32 | 64 | 128 | 192 | 0.07 | 0.14 | 0.48 | 0.25 | 1.20 | 4.12 | 4.05 | 3.35 | 0.17 | 0.08 | 0.29 | 0.08 | 0.31 | 0.73 | 0.48 | 0.36 | | | | | | | | | 13.50 | 26.96 | 53.66 | 106.95 | 212.20 | 420.54 | 837.16 | 1140.34 | | 1 | 0 | 1 | 0.08 | 0.99 | 0.5 | 0.99 | 0.73 | 0.98 | 1.18 | 0.97 | 1.3 | 0.97 | 1.11 | 0.88 | 3.44 |
| ►advanceVelocity.extracted+ | exec | 1.26 | 1.17 | 1.1 | 0.82 | 0.73 | 0.8 | 0.76 | 0.52 | 3.68 | 1.76 | 1.16 | 0.38 | 0.23 | 0.19 | 0.18 | 0.09 | 3.67 | 1.76 | 0.88 | 0.35 | 0.18 | 0.14 | 0.09 | 0.06 | 2 | 4 | 8 | 16 | 32 | 64 | 128 | 192 | 0.01 | 0.01 | 0.17 | 0.05 | 0.13 | 0.14 | 0.24 | 0.16 | 0.02 | 0.02 | 0.13 | 0.02 | 0.03 | 0.02 | 0.03 | 0.02 | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | 2.62 | 5.45 | 10.91 | 27.40 | 53.84 | 67.97 | 108.06 | 163.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) /cluster/intel/oneapi/2024.0.0/compiler/2024.0/bin/compiler/clang --intel -I /beegfs/hackathon/users/eoseret/qaas_runs/170-850-7424/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /c... | 1 | 0 | 1.04 | 0 | 1.04 | 0 | 1.31 | 0 | 1.27 | 0 | 0.82 | 0.14 | 0.64 | 0.28 | 0.64 | 0.19 |
| ►Loop 151 - timestep.c:71-78 - exec+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0 | 0.01 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 4 | 8 | 15 | 30 | 43 | 56 | 63 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | 4.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | |
| ○Loop 152 - timestep.c:74-78 - exec | | 1.26 | 1.17 | 1.1 | 0.82 | 0.72 | 0.8 | 0.76 | 0.51 | 3.67 | 1.76 | 1.16 | 0.38 | 0.23 | 0.19 | 0.18 | 0.08 | 3.66 | 1.75 | 0.88 | 0.35 | 0.18 | 0.14 | 0.09 | 0.06 | 2 | 4 | 8 | 16 | 32 | 64 | 128 | 192 | 0.01 | 0.01 | 0.16 | 0.05 | 0.14 | 0.14 | 0.24 | 0.16 | 0.01 | 0.01 | 0.13 | 0.02 | 0.03 | 0.02 | 0.03 | 0.02 | | | | | | | | | 2.61 | 5.45 | 10.84 | 27.11 | 53.27 | 67.36 | 107.07 | 161.59 | | 1 | 0 | 1.05 | 0 | 1.04 | 0 | 1.31 | 0 | 1.27 | 0 | 0.82 | 0.15 | 0.64 | 0.28 | 0.64 | 0.19 |
| ►sortAtomsInCell.A+ | exec | 0.99 | 1.34 | 1.74 | 2.28 | 2.14 | 1.71 | 1.99 | 1.63 | 2.96 | 3.06 | 1.7 | 1.58 | 0.87 | 0.57 | 0.43 | 0.34 | 2.88 | 2.01 | 1.39 | 0.98 | 0.54 | 0.3 | 0.24 | 0.18 | 2 | 4 | 8 | 16 | 32 | 64 | 128 | 192 | 0.04 | 0.47 | 0.48 | 0.81 | 0.80 | 0.69 | 0.70 | 0.65 | 0.12 | 0.70 | 0.38 | 0.35 | 0.20 | 0.12 | 0.08 | 0.07 | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | 1.40 | 2.05 | 2.98 | 4.24 | 8.02 | 14.43 | 17.98 | 23.97 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) /cluster/intel/oneapi/2024.0.0/compiler/2024.0/bin/compiler/clang --intel -I /beegfs/hackathon/users/eoseret/qaas_runs/170-850-7424/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /c... | 1 | 0 | 0.72 | 0.38 | 0.52 | 0.84 | 0.37 | 1.44 | 0.33 | 1.43 | 0.3 | 1.2 | 0.19 | 1.62 | 0.17 | 1.36 |
| ○Loop 84 - haloExchange.c:621-630 - exec | | 0.83 | 1.05 | 1.24 | 1.46 | 1.36 | 1.08 | 1.31 | 1.07 | 2.48 | 2.21 | 1.26 | 0.93 | 0.56 | 0.36 | 0.27 | 0.22 | 2.41 | 1.58 | 0.99 | 0.63 | 0.34 | 0.19 | 0.16 | 0.12 | 2 | 4 | 8 | 16 | 32 | 64 | 128 | 192 | 0.03 | 0.29 | 0.32 | 0.44 | 0.44 | 0.38 | 0.41 | 0.41 | 0.10 | 0.43 | 0.25 | 0.19 | 0.11 | 0.06 | 0.05 | 0.04 | | | | | | | | | 1.39 | 2.20 | 3.51 | 5.46 | 10.29 | 18.54 | 22.77 | 30.35 | | 1 | 0 | 0.76 | 0.25 | 0.61 | 0.49 | 0.48 | 0.76 | 0.44 | 0.76 | 0.4 | 0.65 | 0.24 | 1 | 0.21 | 0.85 |
| ○Loop 85 - haloExchange.c:633-642 - exec | | 0.14 | 0.25 | 0.45 | 0.75 | 0.7 | 0.58 | 0.64 | 0.52 | 0.43 | 0.71 | 0.48 | 0.6 | 0.35 | 0.27 | 0.21 | 0.17 | 0.39 | 0.38 | 0.36 | 0.32 | 0.18 | 0.1 | 0.08 | 0.06 | 2 | 4 | 8 | 16 | 32 | 64 | 127 | 190 | 0.02 | 0.16 | 0.17 | 0.37 | 0.39 | 0.37 | 0.41 | 0.34 | 0.05 | 0.23 | 0.13 | 0.16 | 0.10 | 0.06 | 0.05 | 0.04 | | | | | | | | | 1.31 | 1.23 | 1.44 | 1.79 | 3.47 | 6.00 | 6.11 | 8.33 | | 1 | 0 | 0.51 | 0.12 | 0.27 | 0.33 | 0.15 | 0.64 | 0.14 | 0.61 | 0.12 | 0.51 | 0.08 | 0.59 | 0.07 | 0.48 |
| ►updateLinkCells.A+ | exec | 0.83 | 1 | 1.14 | 0.94 | 0.8 | 0.66 | 0.43 | 0.35 | 2.42 | 3.57 | 4.24 | 3.58 | 3.56 | 4.44 | 3.62 | 4.1 | 2.42 | 1.5 | 0.91 | 0.41 | 0.2 | 0.12 | 0.05 | 0.04 | 2 | 2 | 2 | 2 | 2 | 2 | 2 | 2 | 0.00 | 0.55 | 1.08 | 1.18 | 2.01 | 6.64 | 4.94 | 7.27 | 0.01 | 0.82 | 0.86 | 0.51 | 0.51 | 1.16 | 0.59 | 0.82 | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | 5.10 | 8.63 | 13.83 | 32.04 | 62.51 | 110.10 | 270.45 | 317.72 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) /cluster/intel/oneapi/2024.0.0/compiler/2024.0/bin/compiler/clang --intel -I /beegfs/hackathon/users/eoseret/qaas_runs/170-850-7424/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /c... | 1 | 0 | 0.81 | 0.19 | 0.66 | 0.38 | 0.74 | 0.25 | 0.76 | 0.2 | 0.63 | 0.24 | 0.76 | 0.1 | 0.63 | 0.13 |
| ○Loop 132 - linkCells.c:384-385 - exec | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0 | 0 | 0 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 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 | 0.00 | 0.00 | | | | | | | | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | |
| ►Loop 130 - linkCells.c:291-378 - exec [...]+ | | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0.02 | 0.02 | 0.01 | 0.01 | 0.01 | 0.02 | 0.01 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 2 | 2 | 2 | 2 | 2 | 2 | 2 | 0.00 | 0.00 | 0.02 | 0.01 | 0.01 | 0.02 | 0.06 | 0.06 | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | | | | | | | | | 13.88 | 14.88 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | 1 | 0 | 0.5 | 0.01 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
| ○Loop 131 - linkCells.c:295-378 - exec [...] | | 0.83 | 0.99 | 1.14 | 0.93 | 0.8 | 0.66 | 0.43 | 0.34 | 2.41 | 3.55 | 4.21 | 3.57 | 3.56 | 4.43 | 3.6 | 4.09 | 2.41 | 1.49 | 0.91 | 0.4 | 0.2 | 0.12 | 0.05 | 0.04 | 2 | 2 | 2 | 2 | 2 | 2 | 2 | 2 | 0.00 | 0.55 | 1.05 | 1.18 | 2.02 | 6.62 | 4.86 | 7.33 | 0.01 | 0.82 | 0.84 | 0.51 | 0.51 | 1.16 | 0.58 | 0.82 | | | | | | | | | 5.07 | 8.59 | 13.74 | 32.45 | 61.77 | 108.97 | 268.23 | 314.57 | | 1 | 0 | 0.81 | 0.19 | 0.66 | 0.39 | 0.75 | 0.23 | 0.75 | 0.2 | 0.63 | 0.25 | 0.75 | 0.11 | 0.63 | 0.13 |
| ►advancePosition.extracted+ | exec | 0.66 | 0.63 | 0.66 | 0.52 | 0.45 | 0.46 | 0.43 | 0.33 | 1.94 | 0.96 | 0.61 | 0.26 | 0.15 | 0.13 | 0.14 | 0.08 | 1.92 | 0.95 | 0.53 | 0.22 | 0.11 | 0.08 | 0.05 | 0.04 | 2 | 4 | 8 | 16 | 32 | 64 | 128 | 192 | 0.01 | 0.01 | 0.08 | 0.07 | 0.07 | 0.10 | 0.28 | 0.14 | 0.03 | 0.01 | 0.07 | 0.03 | 0.02 | 0.02 | 0.03 | 0.02 | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | 2.71 | 5.46 | 9.81 | 23.40 | 46.76 | 65.24 | 102.40 | 128.13 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) /cluster/intel/oneapi/2024.0.0/compiler/2024.0/bin/compiler/clang --intel -I /beegfs/hackathon/users/eoseret/qaas_runs/170-850-7424/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /c... | 1 | 0 | 1.01 | 0 | 0.91 | 0.06 | 1.09 | 0 | 1.09 | 0 | 0.75 | 0.12 | 0.6 | 0.17 | 0.5 | 0.17 |
| ►Loop 153 - timestep.c:85-94 - exec+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 4 | 8 | 15 | 30 | 36 | 46 | 53 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.01 | 0.02 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | 4.63 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | |
| ○Loop 154 - timestep.c:88-94 - exec | | 0.66 | 0.63 | 0.66 | 0.52 | 0.45 | 0.46 | 0.43 | 0.32 | 1.93 | 0.96 | 0.6 | 0.26 | 0.15 | 0.12 | 0.14 | 0.08 | 1.92 | 0.95 | 0.52 | 0.22 | 0.11 | 0.08 | 0.05 | 0.04 | 2 | 4 | 8 | 16 | 32 | 64 | 128 | 192 | 0.01 | 0.01 | 0.08 | 0.07 | 0.07 | 0.10 | 0.28 | 0.14 | 0.02 | 0.02 | 0.07 | 0.03 | 0.02 | 0.02 | 0.03 | 0.02 | | | | | | | | | 2.69 | 5.41 | 9.90 | 23.09 | 45.96 | 64.45 | 100.98 | 126.28 | | 1 | 0 | 1.01 | 0 | 0.92 | 0.05 | 1.09 | 0 | 1.09 | 0 | 0.75 | 0.12 | 0.6 | 0.17 | 0.5 | 0.16 |
| ○unknown_function | Unknown module | 0.58 | 0.62 | 0.59 | 0.51 | 0.45 | 0.38 | 0.26 | 0.21 | 1.76 | 1.31 | 0.72 | 0.3 | 0.22 | 0.36 | 0.11 | 0.18 | 1.69 | 0.93 | 0.47 | 0.22 | 0.11 | 0.07 | 0.03 | 0.02 | 2 | 4 | 8 | 16 | 32 | 64 | 128 | 192 | 0.04 | 0.17 | 0.14 | 0.10 | 0.13 | 0.23 | 0.12 | 0.13 | 0.11 | 0.26 | 0.12 | 0.04 | 0.03 | 0.04 | 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 | Others (%): 100.00 | 2.20 | 3.88 | 7.53 | 16.12 | 31.08 | 47.93 | 106.00 | 159.25 | | 1 | 0 | 0.91 | 0.06 | 0.9 | 0.06 | 0.96 | 0.02 | 0.96 | 0.02 | 0.75 | 0.09 | 0.88 | 0.03 | 0.88 | 0.03 |
| ►ljForce.extracted.27+ | exec | 0.27 | 0.36 | 0.54 | 0.77 | 0.92 | 0.72 | 0.88 | 0.51 | 0.79 | 0.68 | 0.61 | 0.74 | 0.47 | 0.25 | 0.22 | 0.15 | 0.78 | 0.53 | 0.43 | 0.33 | 0.23 | 0.13 | 0.11 | 0.06 | 2 | 4 | 8 | 16 | 32 | 64 | 128 | 192 | 0.01 | 0.08 | 0.13 | 0.40 | 0.46 | 0.34 | 0.36 | 0.31 | 0.02 | 0.12 | 0.11 | 0.17 | 0.11 | 0.06 | 0.04 | 0.03 | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | 2.25 | 3.25 | 4.12 | 5.28 | 7.73 | 13.75 | 15.59 | 29.40 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) /cluster/intel/oneapi/2024.0.0/compiler/2024.0/bin/compiler/clang --intel -I /beegfs/hackathon/users/eoseret/qaas_runs/170-850-7424/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /c... | 1 | 0 | 0.74 | 0.1 | 0.45 | 0.3 | 0.3 | 0.54 | 0.21 | 0.73 | 0.19 | 0.58 | 0.11 | 0.78 | 0.14 | 0.44 |
| ○Loop 147 - ljForce.c:157-158 - exec [...] | | 0.27 | 0.36 | 0.54 | 0.77 | 0.91 | 0.72 | 0.88 | 0.51 | 0.79 | 0.68 | 0.61 | 0.74 | 0.47 | 0.25 | 0.22 | 0.15 | 0.78 | 0.53 | 0.43 | 0.33 | 0.23 | 0.13 | 0.11 | 0.06 | 2 | 4 | 8 | 16 | 32 | 64 | 128 | 192 | 0.01 | 0.08 | 0.13 | 0.40 | 0.46 | 0.34 | 0.36 | 0.31 | 0.02 | 0.12 | 0.11 | 0.17 | 0.12 | 0.06 | 0.04 | 0.03 | | | | | | | | | 2.25 | 3.25 | 4.12 | 5.28 | 7.73 | 13.75 | 15.59 | 29.40 | | 1 | 0 | 0.74 | 0.1 | 0.45 | 0.3 | 0.3 | 0.54 | 0.21 | 0.72 | 0.19 | 0.58 | 0.11 | 0.78 | 0.14 | 0.44 |
| ○Loop 146 - ljForce.c:158-161 - exec [...] | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 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 | 0.00 | 0.00 | | | | | | | | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | |
| ○putAtomInBox.A | exec | 0.17 | 0.18 | 0.18 | 0.2 | 0.24 | 0.17 | 0.14 | 0.12 | 0.52 | 0.64 | 0.61 | 0.75 | 0.96 | 1.02 | 1.09 | 1.41 | 0.5 | 0.27 | 0.14 | 0.09 | 0.06 | 0.03 | 0.02 | 0.01 | 2 | 2 | 2 | 2 | 2 | 2 | 2 | 2 | 0.01 | 0.09 | 0.08 | 0.16 | 0.10 | 0.57 | 0.19 | 2.26 | 0.04 | 0.13 | 0.06 | 0.07 | 0.02 | 0.10 | 0.02 | 0.25 | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | 5.87 | 10.92 | 20.60 | 31.65 | 48.15 | 95.92 | 145.88 | 294.75 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) /cluster/intel/oneapi/2024.0.0/compiler/2024.0/bin/compiler/clang --intel -I /beegfs/hackathon/users/eoseret/qaas_runs/170-850-7424/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /c... | 1 | 0 | 0.93 | 0.01 | 0.89 | 0.02 | 0.69 | 0.06 | 0.52 | 0.11 | 0.52 | 0.08 | 0.39 | 0.09 | 0.52 | 0.06 |
| ○getBoxFromTuple.A | exec | 0.16 | 0.14 | 0.14 | 0.13 | 0.11 | 0.07 | 0.06 | 0.05 | 0.47 | 0.44 | 0.49 | 0.45 | 0.48 | 0.41 | 0.49 | 0.49 | 0.46 | 0.22 | 0.11 | 0.06 | 0.03 | 0.01 | 0.01 | 0.01 | 2 | 2 | 2 | 2 | 2 | 2 | 2 | 2 | 0.01 | 0.01 | 0.07 | 0.02 | 0.27 | 0.02 | 0.40 | 0.23 | 0.02 | 0.02 | 0.06 | 0.01 | 0.07 | 0.00 | 0.05 | 0.02 | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | 10.47 | 17.32 | 45.76 | 65.42 | 164.17 | 369.25 | 273.13 | 512.13 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) /cluster/intel/oneapi/2024.0.0/compiler/2024.0/bin/compiler/clang --intel -I /beegfs/hackathon/users/eoseret/qaas_runs/170-850-7424/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /c... | 1 | 0 | 1.05 | 0 | 1.05 | 0 | 0.96 | 0.01 | 0.96 | 0 | 1.44 | 0 | 0.72 | 0.02 | 0.48 | 0.03 |
| ○sortAtomsById | exec | 0.14 | 0.15 | 0.14 | 0.11 | 0.11 | 0.08 | 0.07 | 0.06 | 0.43 | 0.24 | 0.16 | 0.07 | 0.06 | 0.03 | 0.03 | 0.02 | 0.42 | 0.22 | 0.11 | 0.05 | 0.03 | 0.01 | 0.01 | 0.01 | 2 | 4 | 8 | 16 | 32 | 64 | 123 | 175 | 0.01 | 0.01 | 0.05 | 0.02 | 0.05 | 0.05 | 0.05 | 0.05 | 0.02 | 0.02 | 0.04 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | 0.55 | 1.23 | 2.70 | 4.95 | 7.46 | 25.50 | 30.38 | 34.25 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) /cluster/intel/oneapi/2024.0.0/compiler/2024.0/bin/compiler/clang --intel -I /beegfs/hackathon/users/eoseret/qaas_runs/170-850-7424/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /c... | 1 | 0 | 0.95 | 0.01 | 0.95 | 0.01 | 1.05 | 0 | 0.88 | 0.01 | 1.31 | 0 | 0.66 | 0.02 | 0.44 | 0.03 |
| ►loadAtomsBuffer.A+ | exec | 0.1 | 0.12 | 0.11 | 0.11 | 0.09 | 0.07 | 0.04 | 0.03 | 0.31 | 0.36 | 0.4 | 0.39 | 0.39 | 0.42 | 0.33 | 0.35 | 0.29 | 0.17 | 0.09 | 0.05 | 0.02 | 0.01 | 0 | 0 | 2 | 2 | 2 | 2 | 2 | 2 | 2 | 2 | 0.01 | 0.02 | 0.06 | 0.00 | 0.15 | 0.46 | 0.32 | 0.64 | 0.04 | 0.02 | 0.05 | 0.00 | 0.04 | 0.08 | 0.04 | 0.07 | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | 1.76 | 2.81 | 5.47 | 10.58 | 24.69 | 47.13 | 0.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) /cluster/intel/oneapi/2024.0.0/compiler/2024.0/bin/compiler/clang --intel -I /beegfs/hackathon/users/eoseret/qaas_runs/170-850-7424/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /c... | 1 | 0 | 0.85 | 0.02 | 0.81 | 0.02 | 0.72 | 0.03 | 0.91 | 0.01 | 0.91 | 0.01 | 1 | 0 | 1 | 0 |
| ►Loop 68 - haloExchange.c:376-389 - exec+ | | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.02 | 0 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.02 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 2 | 2 | 2 | 2 | 2 | 2 | 2 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.02 | 0.03 | 0.06 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | | | | | | | | | 1.19 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | |
| ○Loop 69 - haloExchange.c:380-389 - exec | | 0.09 | 0.11 | 0.11 | 0.11 | 0.09 | 0.06 | 0.04 | 0.03 | 0.3 | 0.36 | 0.4 | 0.38 | 0.38 | 0.4 | 0.32 | 0.34 | 0.27 | 0.17 | 0.09 | 0.05 | 0.02 | 0.01 | 0 | 0 | 2 | 2 | 2 | 2 | 2 | 2 | 2 | 2 | 0.02 | 0.02 | 0.07 | 0.00 | 0.17 | 0.42 | 0.30 | 0.58 | 0.05 | 0.02 | 0.05 | 0.00 | 0.04 | 0.07 | 0.04 | 0.06 | | | | | | | | | 1.81 | 2.68 | 5.22 | 10.15 | 23.25 | 45.00 | 0.00 | 0.00 | | 1 | 0 | 0.79 | 0.02 | 0.75 | 0.03 | 0.68 | 0.04 | 0.84 | 0.01 | 0.84 | 0.01 | 1 | 0 | 1 | 0 |
| ►kineticEnergy.extracted+ | exec | 0.07 | 0.07 | 0.05 | 0.04 | 0.04 | 0.02 | 0.05 | 0.01 | 0.2 | 0.1 | 0.06 | 0.03 | 0.01 | 0.01 | 0.01 | 0 | 0.2 | 0.1 | 0.04 | 0.02 | 0.01 | 0 | 0.01 | 0 | 2 | 4 | 8 | 16 | 32 | 64 | 128 | 182 | 0.00 | 0.00 | 0.01 | 0.01 | 0.01 | 0.02 | 0.04 | 0.02 | 0.01 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | 3.43 | 6.93 | 17.22 | 35.13 | 69.13 | 0.00 | 76.50 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) /cluster/intel/oneapi/2024.0.0/compiler/2024.0/bin/compiler/clang --intel -I /beegfs/hackathon/users/eoseret/qaas_runs/170-850-7424/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /c... | 1 | 0 | 1 | 0 | 1.25 | 0 | 1.25 | 0 | 1.25 | 0 | 1 | 0 | 0.31 | 0.03 | 1 | 0 |
| ►Loop 157 - timestep.c:107-116 - exec+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 4 | 8 | 16 | 27 | 30 | 41 | 28 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | 8.88 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | |
| ○Loop 159 - timestep.c:110-116 - exec | | 0.06 | 0.06 | 0.05 | 0.04 | 0.03 | 0.02 | 0.05 | 0.01 | 0.19 | 0.1 | 0.06 | 0.03 | 0.01 | 0.01 | 0.01 | 0 | 0.19 | 0.09 | 0.04 | 0.02 | 0.01 | 0 | 0.01 | 0 | 2 | 4 | 8 | 16 | 32 | 64 | 127 | 177 | 0.00 | 0.00 | 0.01 | 0.01 | 0.01 | 0.02 | 0.04 | 0.02 | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | 2.91 | 6.26 | 14.44 | 29.13 | 57.50 | 0.00 | 65.50 | 0.00 | | 1 | 0 | 1.06 | -0 | 1.19 | 0 | 1.19 | 0 | 1.19 | 0 | 1 | 0 | 0.3 | 0.04 | 1 | 0 |
| ○Loop 158 - timestep.c:110-116 - exec | | 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 | 4 | 8 | 15 | 25 | 23 | 38 | 40 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.01 | 0.02 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | |
| ○__libm_floor_y8 | exec | 0.06 | 0.07 | 0.06 | 0.05 | 0.05 | 0.04 | 0.03 | 0.02 | 0.18 | 0.21 | 0.21 | 0.19 | 0.21 | 0.22 | 0.3 | 0.23 | 0.17 | 0.1 | 0.05 | 0.02 | 0.01 | 0.01 | 0 | 0 | 2 | 2 | 2 | 2 | 2 | 2 | 2 | 2 | 0.01 | 0.02 | 0.01 | 0.02 | 0.08 | 0.00 | 0.78 | 0.58 | 0.02 | 0.02 | 0.01 | 0.01 | 0.02 | 0.00 | 0.10 | 0.06 | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | 12.49 | 25.38 | 40.58 | 116.44 | 212.13 | 258.25 | 0.00 | 0.00 | | 1 | 0 | 0.85 | 0.01 | 0.85 | 0.01 | 1.06 | -0 | 1.06 | -0 | 0.53 | 0.02 | 1 | 0 | 1 | 0 |
| ►__intel_avx_rep_memset+ | exec | 0.04 | 0.05 | 0.09 | 0.08 | 0.11 | 0.11 | 0.15 | 0.09 | 0.12 | 0.1 | 0.13 | 0.08 | 0.06 | 0.04 | 0.06 | 0.04 | 0.12 | 0.08 | 0.07 | 0.04 | 0.03 | 0.02 | 0.02 | 0.01 | 2 | 4 | 8 | 16 | 32 | 64 | 128 | 191 | 0.00 | 0.01 | 0.03 | 0.05 | 0.05 | 0.06 | 0.09 | 0.07 | 0.00 | 0.02 | 0.03 | 0.02 | 0.01 | 0.01 | 0.01 | 0.01 | Memory (%): 100.00 | Memory (%): 100.00 | Memory (%): 100.00 | Memory (%): 100.00 | Memory (%): 100.00 | Memory (%): 100.00 | Memory (%): 100.00 | Memory (%): 100.00 | 0.50 | 1.67 | 6.43 | 11.75 | 14.42 | 21.38 | 21.38 | 36.38 | | 1 | 0 | 0.75 | 0.01 | 0.43 | 0.05 | 0.38 | 0.05 | 0.25 | 0.08 | 0.19 | 0.09 | 0.09 | 0.14 | 0.13 | 0.08 |
| ○Loop 189 - - exec | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 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 | 0.00 | 0.00 | | | | | | | | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | |
| ►gasdev.A+ | exec | 0.04 | 0.04 | 0.03 | 0.03 | 0.02 | 0.01 | 0 | 0 | 0.12 | 0.07 | 0.03 | 0.02 | 0.01 | 0.01 | 0 | 0 | 0.11 | 0.05 | 0.03 | 0.01 | 0.01 | 0 | 0 | 0 | 2 | 4 | 8 | 16 | 32 | 64 | 119 | 165 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.02 | 0.00 | 0.00 | 0.02 | 0.01 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | | Exe (%): 100.00 | 4.58 | 10.80 | 17.63 | 42.50 | 38.25 | 0.00 | 0.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) /cluster/intel/oneapi/2024.0.0/compiler/2024.0/bin/compiler/clang --intel -I /beegfs/hackathon/users/eoseret/qaas_runs/170-850-7424/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /c... | 1 | 0 | 1.1 | -0 | 0.92 | 0 | 1.38 | 0 | 0.69 | 0.01 | 1 | 0 | 1 | 0 | 1 | 0 |
| ○Loop 148 - random.c:27-48 - exec [...] | | 0.02 | 0.01 | 0.02 | 0.01 | 0.02 | 0.01 | 0 | 0 | 0.07 | 0.03 | 0.02 | 0.01 | 0.01 | 0 | 0 | 0 | 0.07 | 0.02 | 0.02 | 0.01 | 0 | 0 | 0 | 0 | 2 | 4 | 8 | 16 | 31 | 56 | 59 | 84 | 0.00 | 0.01 | 0.01 | 0.01 | 0.02 | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | 1.21 | 5.38 | 4.88 | 11.38 | 0.00 | 0.00 | 0.00 | 0.00 | | 1 | 0 | 1.75 | 0 | 0.88 | 0 | 0.88 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
| ○unknown_function | exec | 0.03 | 0.03 | 0.03 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.1 | 0.1 | 0.1 | 0.05 | 0.05 | 0.06 | 0.15 | 0.11 | 0.1 | 0.04 | 0.02 | 0.01 | 0 | 0 | 0 | 0 | 2 | 4 | 6 | 6 | 12 | 10 | 18 | 18 | 0.00 | 0.03 | 0.06 | 0.05 | 0.07 | 0.14 | 0.31 | 0.26 | 0.00 | 0.05 | 0.05 | 0.02 | 0.02 | 0.02 | 0.04 | 0.03 | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | 0.73 | 1.31 | 3.88 | 4.25 | 0.00 | 0.00 | 0.00 | 0.00 | | 1 | 0 | 1.25 | 0 | 1.25 | 0 | 1.25 | -0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
| ○floor | exec | 0.02 | 0.01 | 0.01 | 0.02 | 0.02 | 0.01 | 0.01 | 0.01 | 0.09 | 0.04 | 0.05 | 0.06 | 0.07 | 0.05 | 0.07 | 0.08 | 0.07 | 0.02 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 2 | 2 | 2 | 2 | 2 | 2 | 2 | 2 | 0.01 | 0.00 | 0.00 | 0.02 | 0.07 | 0.04 | 0.00 | 0.19 | 0.02 | 0.00 | 0.00 | 0.01 | 0.02 | 0.01 | 0.00 | 0.02 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | 13.66 | 48.06 | 65.13 | 91.00 | 0.00 | 0.00 | 0.00 | 0.00 | | 1 | 0 | 1.75 | 0 | 1.75 | 0 | 0.88 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
| ○mkSeed.A | exec | 0.02 | 0.02 | 0.02 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.06 | 0.03 | 0.03 | 0.01 | 0 | 0.01 | 0.01 | 0 | 0.06 | 0.03 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 2 | 4 | 8 | 16 | 32 | 64 | 122 | 155 | 0.00 | 0.00 | 0.01 | 0.01 | 0.01 | 0.02 | 0.02 | 0.02 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | 6.21 | 11.71 | 33.88 | 42.13 | 0.00 | 0.00 | 0.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) /cluster/intel/oneapi/2024.0.0/compiler/2024.0/bin/compiler/clang --intel -I /beegfs/hackathon/users/eoseret/qaas_runs/170-850-7424/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /c... | 1 | 0 | 1 | 0 | 1.5 | 0 | 0.75 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
| ○moveAtom.A | exec | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0 | 0 | 0 | 0.05 | 0.02 | 0.05 | 0.04 | 0.02 | 0.03 | 0.04 | 0.05 | 0.04 | 0.01 | 0.01 | 0 | 0 | 0 | 0 | 0 | 2 | 2 | 2 | 2 | 2 | 2 | 2 | 2 | 0.00 | 0.00 | 0.03 | 0.02 | 0.03 | 0.06 | 0.06 | 0.16 | 0.01 | 0.00 | 0.02 | 0.01 | 0.01 | 0.01 | 0.01 | 0.02 | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | 1.06 | 3.75 | 4.50 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) /cluster/intel/oneapi/2024.0.0/compiler/2024.0/bin/compiler/clang --intel -I /beegfs/hackathon/users/eoseret/qaas_runs/170-850-7424/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /c... | 1 | 0 | 2 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
| ○__libm_log_z0 | exec | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0 | 0 | 0.05 | 0.02 | 0.01 | 0.01 | 0.01 | 0 | 0 | 0 | 0.04 | 0.02 | 0.01 | 0 | 0 | 0 | 0 | 0 | 2 | 4 | 8 | 16 | 30 | 41 | 58 | 64 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.02 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | Math (%): 100.00 | | 1.97 | 2.75 | 7.63 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | |
| ►randomDisplacements.extracted+ | exec | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.02 | 0.03 | 0.03 | 0.03 | 0.02 | 0.01 | 0 | 0 | 0.01 | 0 | 0.03 | 0.02 | 0.01 | 0 | 0 | 0 | 0 | 0 | 2 | 4 | 8 | 13 | 18 | 30 | 60 | 111 | 0.00 | 0.01 | 0.00 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | 0.58 | 0.75 | 1.63 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) /cluster/intel/oneapi/2024.0.0/compiler/2024.0/bin/compiler/clang --intel -I /beegfs/hackathon/users/eoseret/qaas_runs/170-850-7424/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /c... | | | | | | | | | | | | | | | | |
| ►Loop 121 - initAtoms.c:194-202 - exec+ | | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 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 | 0.00 | 0.00 | | | | | | | | | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | |
| ○Loop 122 - initAtoms.c:197-202 - exec | | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.02 | 0.03 | 0.03 | 0.03 | 0.02 | 0.01 | 0 | 0 | 0.01 | 0 | 0.03 | 0.02 | 0.01 | 0 | 0 | 0 | 0 | 0 | 2 | 4 | 8 | 13 | 18 | 30 | 60 | 111 | 0.00 | 0.01 | 0.00 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | 0.58 | 0.75 | 1.63 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | | | | | | | | | | | | | | | | |
| ○uct_rc_mlx5_iface_check_rx_completion | libuct_ib.so.0.0.0 | 0.01 | 0.04 | 0.03 | 0.01 | 0.01 | 0.02 | 0.01 | 0.01 | 0.03 | 0.24 | 0.16 | 0.07 | 0.08 | 0.18 | 0.06 | 0.15 | 0.02 | 0.06 | 0.02 | 0.01 | 0 | 0 | 0 | 0 | 2 | 1 | 2 | 2 | 1 | 1 | 2 | 2 | 0.01 | 0.00 | 0.14 | 0.11 | 0.00 | 0.00 | 0.23 | 0.92 | 0.02 | 0.00 | 0.11 | 0.05 | 0.00 | 0.00 | 0.03 | 0.10 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | 0.25 | 0.90 | 2.13 | 3.13 | 0.00 | 0.00 | 0.00 | 0.00 | | 1 | 0 | 0.17 | 0.03 | 0.25 | 0.02 | 0.25 | 0.01 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
| ○uct_iface_mpool_empty_warn | libuct.so.0.0.0 | 0.01 | 0.06 | 0.03 | 0.01 | 0.01 | 0.02 | 0.01 | 0.01 | 0.03 | 0.34 | 0.17 | 0.06 | 0.1 | 0.24 | 0.12 | 0.12 | 0.03 | 0.09 | 0.02 | 0.01 | 0 | 0 | 0 | 0 | 2 | 1 | 2 | 2 | 2 | 1 | 2 | 1 | 0.00 | 0.00 | 0.15 | 0.08 | 0.28 | 0.00 | 0.58 | 0.00 | 0.01 | 0.00 | 0.12 | 0.04 | 0.07 | 0.00 | 0.07 | 0.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | 0.46 | 1.47 | 2.13 | 0.25 | 0.00 | 0.00 | 0.00 | 0.00 | | 1 | 0 | 0.17 | 0.05 | 0.38 | 0.02 | 0.38 | 0.01 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
| ○lcg61 | exec | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.03 | 0.02 | 0.01 | 0.01 | 0 | 0 | 0.01 | 0 | 0.03 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 4 | 7 | 13 | 17 | 22 | 35 | 42 | 0.00 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.02 | 0.01 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | Exe (%): 100.00 | 0.17 | 0.75 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017) /cluster/intel/oneapi/2024.0.0/compiler/2024.0/bin/compiler/clang --intel -I /beegfs/hackathon/users/eoseret/qaas_runs/170-850-7424/intel/CoMD/build/CoMD/CoMD/src-openmp -I . -I /c... | | | | | | | | | | | | | | | | |
| ○.plt.sec@start | libc.so.6 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0 | 0 | 0 | 0.04 | 0.02 | 0.02 | 0.01 | 0.01 | 0 | 0.01 | 0.01 | 0.03 | 0.02 | 0.01 | 0 | 0 | 0 | 0 | 0 | 2 | 4 | 8 | 10 | 13 | 22 | 25 | 24 | 0.00 | 0.00 | 0.01 | 0.01 | 0.02 | 0.01 | 0.02 | 0.03 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | System (%): 100.00 | System (%): 100.00 | System (%): 100.00 | System (%): 100.00 | System (%): 100.00 | System (%): 100.00 | System (%): 100.00 | System (%): 100.00 | 0.38 | 0.69 | 0.50 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | | 1 | 0 | 0.75 | 0 | 0.75 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
| ○ofi_mutex_unlock_noop | libmlx-fi.so | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.04 | 0.03 | 0 | 0 | 0.02 | 0.01 | 0.01 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 1 | 1 | 1 | 2 | 1 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.03 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | NA | Others (%): 100.00 | Others (%): 100.00 | | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | Others (%): 100.00 | 0.00 | 0.50 | 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 | 1 | 0 |
| ○_ZN17_INTERNAL021345c126__kmp_hyper_barrier_gatherE12barrier_typeP8kmp_infoiiPFvPvS3_ES3_ | libiomp5.so | 0 | 0.02 | 0.12 | 0.31 | 0.68 | 2.24 | 2.24 | 1.69 | 0 | 0.12 | 0.57 | 0.34 | 0.78 | 1.86 | 1.39 | 1.01 | 0 | 0.04 | 0.1 | 0.14 | 0.17 | 0.39 | 0.27 | 0.19 | 0 | 2 | 2 | 8 | 16 | 26 | 41 | 64 | 0.00 | 0.05 | 0.33 | 0.12 | 1.10 | 4.15 | 3.23 | 2.64 | 0.00 | 0.08 | 0.26 | 0.05 | 0.27 | 0.71 | 0.38 | 0.28 | NA | OMP (%): 100.00 | OMP (%): 100.00 | OMP (%): 100.00 | OMP (%): 100.00 | OMP (%): 100.00 | OMP (%): 100.00 | OMP (%): 100.00 | 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 | 1 | 0 |
| ○_ZN15kmp_flag_nativeIyL9flag_type1ELb1EE13notdone_checkEv | libiomp5.so | 0 | 0.04 | 0.13 | 0.31 | 0.56 | 0.97 | 1.28 | 1.43 | 0 | 0.12 | 0.13 | 0.17 | 0.21 | 0.23 | 0.23 | 0.25 | 0 | 0.06 | 0.1 | 0.13 | 0.14 | 0.17 | 0.16 | 0.16 | 0 | 4 | 8 | 16 | 32 | 64 | 128 | 192 | 0.00 | 0.04 | 0.05 | 0.10 | 0.16 | 0.21 | 0.29 | 0.31 | 0.00 | 0.05 | 0.04 | 0.04 | 0.04 | 0.04 | 0.03 | 0.03 | NA | OMP (%): 100.00 | OMP (%): 100.00 | OMP (%): 100.00 | OMP (%): 100.00 | OMP (%): 100.00 | OMP (%): 100.00 | OMP (%): 100.00 | 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 | 1 | 0 |
| ○MPIDI_OFI_get_buffered | libmpi.so.12.0.0 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.04 | 0.03 | 0 | 0.02 | 0.01 | 0 | 0.01 | 0 | 0.01 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 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 | 0.00 | 0.00 | NA | MPI (%): 100.00 | MPI (%): 100.00 | NA | MPI (%): 100.00 | MPI (%): 100.00 | NA | MPI (%): 100.00 | 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 | 1 | 0 |
| ○_ZN17_INTERNAL021345c119__kmp_wait_templateI11kmp_flag_64ILb0ELb1EELb1ELb0ELb1EEEbP8kmp_infoPT_Pv | libiomp5.so | 0 | 1.88 | 5.95 | 11.84 | 22.42 | 40.37 | 53.72 | 62.8 | 0 | 6.24 | 7.15 | 6.63 | 6.89 | 8.65 | 7.3 | 7.49 | 0 | 2.82 | 4.75 | 5.12 | 5.66 | 7.1 | 6.52 | 7 | 0 | 2 | 6 | 14 | 30 | 62 | 126 | 190 | 0.00 | 0.57 | 0.67 | 1.25 | 1.78 | 4.31 | 5.03 | 4.03 | 0.00 | 0.86 | 0.53 | 0.53 | 0.44 | 0.73 | 0.58 | 0.42 | NA | OMP (%): 100.00 | OMP (%): 100.00 | OMP (%): 100.00 | OMP (%): 100.00 | OMP (%): 100.00 | OMP (%): 100.00 | OMP (%): 100.00 | 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 | 1 | 0 |
| ○_ZN17_INTERNAL021345c126__kmp_hyper_barrier_gatherE12barrier_typeP8kmp_infoiiPFvPvS3_ES3_..0 | libiomp5.so | 0 | 0.23 | 0.37 | 0.62 | 0.6 | 0.4 | 0.35 | 0.26 | 0 | 1.18 | 1.34 | 1.58 | 1.08 | 0.7 | 0.57 | 0.49 | 0 | 0.34 | 0.29 | 0.27 | 0.15 | 0.07 | 0.04 | 0.03 | 0 | 2 | 2 | 4 | 8 | 17 | 33 | 53 | 0.00 | 0.47 | 0.29 | 1.31 | 1.30 | 1.24 | 1.18 | 0.98 | 0.00 | 0.71 | 0.23 | 0.57 | 0.33 | 0.22 | 0.14 | 0.11 | NA | OMP (%): 100.00 | OMP (%): 100.00 | OMP (%): 100.00 | OMP (%): 100.00 | OMP (%): 100.00 | OMP (%): 100.00 | OMP (%): 100.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.03 | 0.17 | | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |