Match comparison for Multipoles [step 20] (match type 12074)
Commits >
Commit a4341ac9f169107ec4cef5019cc6269df7c401ac >
Input 14-fullerene_unpacked.02-td-unpacked.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -2.020315146839614e+00 | 5.140000000000000e-06 | -2.020314125156260e+00 | 1.602536483262511e-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_serial_min | -2.020317121184182e+00 | -1.974344567834407e-06 | -3.841137291506629e-01 | PASS |
| spack_foss-2023a_serial_min | -2.020317121184182e+00 | -1.974344567834407e-06 | -3.841137291506629e-01 | PASS |
| spack_foss-2023a_serial | -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-2022a_serial | -2.020317121184182e+00 | -1.974344567834407e-06 | -3.841137291506629e-01 | PASS |
| spack_foss-2023b_serial | -2.020317121184182e+00 | -1.974344567834407e-06 | -3.841137291506629e-01 | PASS |
| spack_foss-2022a_ppc | -2.020313308059224e+00 | 1.838780390173156e-06 | 3.577393755200692e-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_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-2022a_cuda_serial | -2.020313229249438e+00 | 1.917590176425676e-06 | 3.730720187598592e-01 | PASS |
| spack_foss-2023a_mpi_opt | -2.020313329383926e+00 | 1.817455688168934e-06 | 3.535906008110767e-01 | PASS |
| spack_foss-2022a_mpi | -2.020313232801023e+00 | 1.914038591621647e-06 | 3.723810489536279e-01 | PASS |
| spack_foss-2023a_mpi | -2.020313261358551e+00 | 1.885481062835481e-06 | 3.668251095010664e-01 | PASS |
| cmake_foss_2022a_full_mpi | -2.020313275108686e+00 | 1.871730928471038e-06 | 3.641499860838596e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -2.020313275744133e+00 | 1.871095481664753e-06 | 3.640263583005356e-01 | PASS |
| spack_foss-2023a_mpi_debug | -2.020313225370152e+00 | 1.921469462651260e-06 | 3.738267437064707e-01 | PASS |
| spack_foss-2023a_mpi_omp | -2.020313255579077e+00 | 1.891260537512096e-06 | 3.679495209167502e-01 | PASS |
| cmake_foss_2022a_min_serial | -2.020313218895844e+00 | 1.927943769963747e-06 | 3.750863365688223e-01 | PASS |
| cmake_foss_2022a_full_serial | -2.020313218895844e+00 | 1.927943769963747e-06 | 3.750863365688223e-01 | PASS |
| cmake_foss_2022a_min_mpi | -2.020313239907635e+00 | 1.906931979434034e-06 | 3.709984395786060e-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-2023a_impi | -2.020313270836374e+00 | 1.876003240308677e-06 | 3.649811751573301e-01 | PASS |
| spack_intel-2022a_impi_omp | -2.020313330380758e+00 | 1.816458856662706e-06 | 3.533966647203708e-01 | PASS |