Match comparison for Forces [step 10] (match type 22546)
Commits >
Commit 4eed2c655b9f478fca43a397c5feb863f7436add >
Input 05-time_propagation.06-td_fast_md.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -9.391687584811126e-03 | 2.300000000000000e-14 | -9.391687584814420e-03 | 4.804699596596944e-15 | -9.391687584812014e-03 | 1.165734175856414e-14 | PASS |
Checks do not indicate problems with this match.
Loading plot...
Detailed information
Reference: -0.009391687584811126, precision: 0.000000000000023| Run | Value | Difference | Relative difference | Status |
| eb_foss-2022a_ppc | -9.391687584800357e-03 | 1.076916333886402e-14 | 4.682244929940877e-01 | PASS |
| cmake_foss_2022a_full_serial | -9.391687584812347e-03 | -1.221245327087672e-15 | -5.309762291685531e-02 | PASS |
| cmake_foss_2022a_min_serial | -9.391687584812347e-03 | -1.221245327087672e-15 | -5.309762291685531e-02 | PASS |
| cmake_foss_2022a_full_mpi | -9.391687584813235e-03 | -2.109423746787797e-15 | -9.171407594729554e-02 | PASS |
| eb_fosscuda-2022a | -9.391687584819453e-03 | -8.326672684688674e-15 | -3.620292471603772e-01 | PASS |
| cmake_foss_2022a_min_mpi | -9.391687584812347e-03 | -1.221245327087672e-15 | -5.309762291685531e-02 | PASS |
| eb_foss-2022a_debug | -9.391687584811681e-03 | -5.551115123125783e-16 | -2.413528314402514e-02 | PASS |
| eb_foss-2022b_libxc6 | -9.391687584811903e-03 | -7.771561172376096e-16 | -3.378939640163520e-02 | PASS |
| eb_intel-2022a | -9.391687584815012e-03 | -3.885780586188048e-15 | -1.689469820081760e-01 | PASS |
| eb_foss-2022b_libxc6_mpi | -9.391687584812791e-03 | -1.665334536937735e-15 | -7.240584943207543e-02 | PASS |
| intel-2022b | -9.391687584815012e-03 | -3.885780586188048e-15 | -1.689469820081760e-01 | PASS |
| eb_intel-2022a_omp | -9.391687584817676e-03 | -6.550315845288424e-15 | -2.847963410994967e-01 | PASS |
| eb_foss-2022a_mpi_debug | -9.391687584812569e-03 | -1.443289932012704e-15 | -6.275173617446538e-02 | PASS |
| eb_intel-2022a_impi | -9.391687584823005e-03 | -1.187938636348917e-14 | -5.164950592821380e-01 | PASS |
| spack_foss-2022a_serial | -9.391687584812125e-03 | -9.992007221626409e-16 | -4.344350965924525e-02 | PASS |
| spack_foss-2022a_mpi | -9.391687584813901e-03 | -2.775557561562891e-15 | -1.206764157201257e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -9.391687584819897e-03 | -8.770761894538737e-15 | -3.813374736755972e-01 | PASS |
| spack_foss-2022a_serial_min | -9.391687584812125e-03 | -9.992007221626409e-16 | -4.344350965924525e-02 | PASS |
| intel-2022b_impi | -9.391687584823005e-03 | -1.187938636348917e-14 | -5.164950592821380e-01 | PASS |
| spack_foss-2022a_serial_debug | -9.391687584812125e-03 | -9.992007221626409e-16 | -4.344350965924525e-02 | PASS |
| spack_foss-2022a_serial_omp | -9.391687584813013e-03 | -1.887379141862766e-15 | -8.205996268968549e-02 | PASS |
| spack_foss-2022a_serial_opt | -9.391687584812347e-03 | -1.221245327087672e-15 | -5.309762291685531e-02 | PASS |
| spack_foss-2022a_mpi_omp | -9.391687584814123e-03 | -2.997602166487923e-15 | -1.303305289777358e-01 | PASS |
| eb_intel-2022a_omp_impi | -9.391687584823671e-03 | -1.254552017826427e-14 | -5.454573990549683e-01 | PASS |