Match comparison for Multipoles [step 20] (match type 12078)
Commits >
Commit 0043f87fd1086e2efddabd576c31b5184d964264 >
Input 14-fullerene_unpacked.03-td-packed.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -2.020315146839614e+00 | 5.140000000000000e-06 | -2.020314140464513e+00 | 1.594544804692775e-06 | -2.020315170040013e+00 | 1.951144168899077e-06 | PASS |
Checks do not indicate problems with this match.
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Detailed information
Reference: -2.0203151468396143, precision: 0.00000514| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_ppc | -2.020313308059224e+00 | 1.838780390173156e-06 | 3.577393755200692e-01 | PASS |
| cmake_foss_2022a_full_serial | -2.020313218895844e+00 | 1.927943769963747e-06 | 3.750863365688223e-01 | PASS |
| cmake_foss_2022a_min_serial | -2.020313218895844e+00 | 1.927943769963747e-06 | 3.750863365688223e-01 | PASS |
| cmake_foss_2022a_full_mpi | -2.020313321394913e+00 | 1.825444701175627e-06 | 3.551448834972037e-01 | PASS |
| cmake_foss_2022a_min_mpi | -2.020313380764073e+00 | 1.766075541809187e-06 | 3.435944633870013e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -2.020313264153818e+00 | 1.882685796594785e-06 | 3.662812833841995e-01 | PASS |
| spack_foss-2022a_mpi | -2.020313393567019e+00 | 1.753272595550470e-06 | 3.411036178113755e-01 | PASS |
| spack_foss-2022a_serial_min | -2.020317121184182e+00 | -1.974344567834407e-06 | -3.841137291506629e-01 | PASS |
| spack_foss-2022a_serial | -2.020317121184182e+00 | -1.974344567834407e-06 | -3.841137291506629e-01 | PASS |
| spack_foss-2022a_mpi_min | -2.020313234969951e+00 | 1.911869663473453e-06 | 3.719590784967808e-01 | PASS |
| spack_foss-2023a_mpi_min | -2.020313234969951e+00 | 1.911869663473453e-06 | 3.719590784967808e-01 | PASS |
| spack_foss-2023a_mpi | -2.020313304871665e+00 | 1.841967949278711e-06 | 3.583595232059749e-01 | PASS |
| spack_foss-2022a_cuda_serial | -2.020313229249438e+00 | 1.917590176425676e-06 | 3.730720187598592e-01 | PASS |
| spack_foss-2023a_serial | -2.020317121184182e+00 | -1.974344567834407e-06 | -3.841137291506629e-01 | PASS |
| spack_foss-2023a_mpi_opt | -2.020313281290021e+00 | 1.865549593027538e-06 | 3.629473916395988e-01 | PASS |
| spack_foss-2023a_serial_min | -2.020317121184182e+00 | -1.974344567834407e-06 | -3.841137291506629e-01 | PASS |
| spack_foss-2023a_serial_opt | -2.020313218895844e+00 | 1.927943769963747e-06 | 3.750863365688223e-01 | PASS |
| spack_foss-2023a_mpi_debug | -2.020313264017616e+00 | 1.882821998755446e-06 | 3.663077818590362e-01 | PASS |
| spack_intel-2023a_impi | -2.020313285367884e+00 | 1.861471730091324e-06 | 3.621540330916973e-01 | PASS |
| spack_foss-2023a_serial_debug | -2.020317121184182e+00 | -1.974344567834407e-06 | -3.841137291506629e-01 | PASS |
| spack_foss-2023a_serial_omp | -2.020313227808285e+00 | 1.919031328956322e-06 | 3.733523986296347e-01 | PASS |
| spack_foss-2023a_mpi_omp | -2.020313290016674e+00 | 1.856822939849678e-06 | 3.612495991925444e-01 | PASS |
| spack_foss-2023b_serial | -2.020317121184182e+00 | -1.974344567834407e-06 | -3.841137291506629e-01 | PASS |
| spack_intel-2023a_serial | -2.020313528549583e+00 | 1.618290030869218e-06 | 3.148424184570464e-01 | PASS |
| spack_intel-2022a_serial_omp | -2.020313249433580e+00 | 1.897406034068183e-06 | 3.691451428148216e-01 | PASS |
| spack_intel-2023a_serial_omp | -2.020313285916060e+00 | 1.860923553920202e-06 | 3.620473840311677e-01 | PASS |
| spack_intel-2022a_impi_omp | -2.020313324349472e+00 | 1.822490141911715e-06 | 3.545700665197888e-01 | PASS |