Match comparison for Benzene Multipoles [step 20] (match type 20993)
Commits >
Commit d48128afc066bfe2b1bb5979f9ee62249e46c834 >
Input 12-tddft-currents-to-maxwell.05-benzene-extsource-td-veloc-gauge.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -9.520492016606303e-04 | 1.000000000000000e-07 | -9.520492016720164e-04 | 7.311283684637712e-15 | -9.520492016747389e-04 | 1.572543094005563e-14 | PASS |
Checks for this match
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Intel® builders have different values.
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Detailed information
Reference: -0.0009520492016606303, precision: 0.0000001| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_ppc | -9.520492016707151e-04 | -1.008481492759117e-14 | -1.008481492759117e-07 | PASS |
| cmake_foss_2022a_full_serial | -9.520492016675306e-04 | -6.900296306566744e-15 | -6.900296306566744e-08 | PASS |
| cmake_foss_2022a_full_mpi | -9.520492016722809e-04 | -1.165061970509473e-14 | -1.165061970509473e-07 | PASS |
| cmake_foss_2022a_min_serial | -9.520492016675306e-04 | -6.900296306566744e-15 | -6.900296306566744e-08 | PASS |
| cmake_foss_2022a_min_mpi | -9.520492016590135e-04 | 1.616762279610384e-15 | 1.616762279610384e-08 | PASS |
| spack_foss-2022a_serial_min | -9.520492016675306e-04 | -6.900296306566744e-15 | -6.900296306566744e-08 | PASS |
| spack_foss-2022a_serial | -9.520492016675306e-04 | -6.900296306566744e-15 | -6.900296306566744e-08 | PASS |
| spack_foss-2022a_mpi_min | -9.520492016722809e-04 | -1.165061970509473e-14 | -1.165061970509473e-07 | PASS |
| spack_foss-2022a_mpi | -9.520492016722809e-04 | -1.165061970509473e-14 | -1.165061970509473e-07 | PASS |
| spack_foss-2023a_mpi_min | -9.520492016722809e-04 | -1.165061970509473e-14 | -1.165061970509473e-07 | PASS |
| spack_foss-2023a_mpi | -9.520492016722809e-04 | -1.165061970509473e-14 | -1.165061970509473e-07 | PASS |
| spack_foss-2023a_serial | -9.520492016675306e-04 | -6.900296306566744e-15 | -6.900296306566744e-08 | PASS |
| spack_foss-2023a_mpi_opt | -9.520492016722809e-04 | -1.165061970509473e-14 | -1.165061970509473e-07 | PASS |
| spack_foss-2023a_serial_min | -9.520492016675306e-04 | -6.900296306566744e-15 | -6.900296306566744e-08 | PASS |
| spack_foss-2023a_mpi_debug | -9.520492016722809e-04 | -1.165061970509473e-14 | -1.165061970509473e-07 | PASS |
| spack_foss-2023a_serial_debug | -9.520492016675306e-04 | -6.900296306566744e-15 | -6.900296306566744e-08 | PASS |
| spack_foss-2023a_serial_opt | -9.520492016675306e-04 | -6.900296306566744e-15 | -6.900296306566744e-08 | PASS |
| spack_foss-2023a_serial_omp | -9.520492016744253e-04 | -1.379495476183656e-14 | -1.379495476183656e-07 | PASS |
| spack_foss-2023a_mpi_omp | -9.520492016639003e-04 | -3.269953752216281e-15 | -3.269953752216281e-08 | PASS |
| spack_foss-2023b_serial | -9.520492016675306e-04 | -6.900296306566744e-15 | -6.900296306566744e-08 | PASS |
| spack_intel-2022a_serial_omp | -9.520492016904644e-04 | -2.983409960050087e-14 | -2.983409960050087e-07 | PASS |
| spack_intel-2023a_serial | -9.520492016801705e-04 | -1.954014207383725e-14 | -1.954014207383725e-07 | PASS |
| spack_intel-2023a_serial_omp | -9.520492016904644e-04 | -2.983409960050087e-14 | -2.983409960050087e-07 | PASS |
| spack_intel-2023a_impi | -9.520492016813202e-04 | -2.068993847775813e-14 | -2.068993847775813e-07 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -9.520492016659861e-04 | -5.355741891643895e-15 | -5.355741891643895e-08 | PASS |
| spack_foss-2022a_cuda_serial | -9.520492016701529e-04 | -9.522547680940185e-15 | -9.522547680940185e-08 | PASS |
| spack_intel-2022a_impi_omp | -9.520492016840871e-04 | -2.345682242194114e-14 | -2.345682242194114e-07 | PASS |