Match comparison for Multipoles [step 20] (match type 12074)
Commits >
Commit 4eed2c655b9f478fca43a397c5feb863f7436add >
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 | -2.020313763285959e+00 | 1.271403215722964e-06 | -2.020315146839614e+00 | 1.974344568056452e-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 |
| eb_foss-2022a_ppc | -2.020313239278030e+00 | 1.907561584246764e-06 | 3.711209307873082e-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 | -2.020313274856539e+00 | 1.871983075218964e-06 | 3.641990418713937e-01 | PASS |
| eb_fosscuda-2022a | -2.020313229136168e+00 | 1.917703446707719e-06 | 3.730940557797119e-01 | PASS |
| cmake_foss_2022a_min_mpi | -2.020313271187784e+00 | 1.875651830296476e-06 | 3.649128074506763e-01 | PASS |
| eb_foss-2022a_debug | -2.020313439073350e+00 | 1.707766263958632e-06 | 3.322502459063487e-01 | PASS |
| eb_foss-2022b_libxc6 | -2.020313172495046e+00 | 1.974344568278497e-06 | 3.841137292370616e-01 | PASS |
| eb_intel-2022a | -2.020313460898087e+00 | 1.685941526829993e-06 | 3.280041880992204e-01 | PASS |
| eb_foss-2022b_libxc6_mpi | -2.020313237887469e+00 | 1.908952145690535e-06 | 3.713914680331779e-01 | PASS |
| intel-2022b | -2.020313460898087e+00 | 1.685941526829993e-06 | 3.280041880992204e-01 | PASS |
| eb_intel-2022a_omp | -2.020313353265321e+00 | 1.793574293529332e-06 | 3.489444150835276e-01 | PASS |
| eb_foss-2022a_mpi_debug | -2.020313275674988e+00 | 1.871164626798816e-06 | 3.640398106612482e-01 | PASS |
| eb_intel-2022a_impi | -2.020313274516094e+00 | 1.872323520224484e-06 | 3.642652763082653e-01 | PASS |
| spack_foss-2022a_serial | -2.020317121184182e+00 | -1.974344567834407e-06 | -3.841137291506629e-01 | PASS |
| spack_foss-2022a_mpi | -2.020313232310542e+00 | 1.914529072610804e-06 | 3.724764732705845e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -2.020313292738380e+00 | 1.854101234766148e-06 | 3.607200845848537e-01 | PASS |
| spack_foss-2022a_serial_min | -2.020317121184182e+00 | -1.974344567834407e-06 | -3.841137291506629e-01 | PASS |
| intel-2022b_impi | -2.020313352427665e+00 | 1.794411949695984e-06 | 3.491073832093355e-01 | PASS |
| spack_foss-2022a_serial_debug | -2.020317121184182e+00 | -1.974344567834407e-06 | -3.841137291506629e-01 | PASS |
| spack_foss-2022a_serial_omp | -2.020313246865947e+00 | 1.899973666841248e-06 | 3.696446822648343e-01 | PASS |
| spack_foss-2022a_serial_opt | -2.020313218895844e+00 | 1.927943769963747e-06 | 3.750863365688223e-01 | PASS |
| spack_foss-2022a_mpi_omp | -2.020313246580310e+00 | 1.900259304576934e-06 | 3.697002538087421e-01 | PASS |
| eb_intel-2022a_omp_impi | -2.020313238533136e+00 | 1.908306478171085e-06 | 3.712658517842577e-01 | PASS |