Match comparison for Multipoles [step 20] (match type 12074)
Commits >
Commit e20977157e4d251b72bb22e6c23e92a645445263 >
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 | -2.020313746572119e+00 | 1.221322637825989e-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 |
| cmake_foss_2022a_full_serial | -2.020313218895844e+00 | 1.927943769963747e-06 | 3.750863365688223e-01 | PASS |
| foss-2022a_ppc | -2.020313239278030e+00 | 1.907561584246764e-06 | 3.711209307873082e-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 |
| foss-2022a_opt | -2.020313362744527e+00 | 1.784095087664639e-06 | 3.471002116079064e-01 | PASS |
| intel-2022b | -2.020313460898087e+00 | 1.685941526829993e-06 | 3.280041880992204e-01 | PASS |
| cmake_foss_2022a_min_mpi | -2.020313242995675e+00 | 1.903843939388139e-06 | 3.703976535774590e-01 | PASS |
| intel-2022a | -2.020313460898087e+00 | 1.685941526829993e-06 | 3.280041880992204e-01 | PASS |
| cmake_foss_2022a_full_mpi | -2.020313315772753e+00 | 1.831066861690545e-06 | 3.562386890448530e-01 | PASS |
| spack_foss-2022a_serial_omp | -2.020313246865947e+00 | 1.899973666841248e-06 | 3.696446822648343e-01 | PASS |
| spack_foss-2022a_serial_debug | -2.020317121184182e+00 | -1.974344567834407e-06 | -3.841137291506629e-01 | PASS |
| foss-2022a_omp | -2.020313293753011e+00 | 1.853086603276211e-06 | 3.605226854622978e-01 | PASS |
| intel-2022a_omp | -2.020313353265321e+00 | 1.793574293529332e-06 | 3.489444150835276e-01 | PASS |
| intel-2022b_impi | -2.020313270666861e+00 | 1.876172753156879e-06 | 3.650141543106770e-01 | PASS |
| intel-2022a_impi | -2.020313244438003e+00 | 1.902401611797444e-06 | 3.701170450967790e-01 | PASS |
| cmake_foss_2022a_min_serial | -2.020313218895844e+00 | 1.927943769963747e-06 | 3.750863365688223e-01 | PASS |
| eb_fosscuda-2022a_mpi_omp | -2.020313370705783e+00 | 1.776133831565829e-06 | 3.455513290984104e-01 | PASS |
| eb_fosscuda-2022a | -2.020313229136168e+00 | 1.917703446707719e-06 | 3.730940557797119e-01 | PASS |
| foss-2022a_mpi_omp | -2.020313228065010e+00 | 1.918774604536821e-06 | 3.733024522445178e-01 | PASS |
| eb_foss-2022a | -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_foss-2022a_debug | -2.020313439073350e+00 | 1.707766263958632e-06 | 3.322502459063487e-01 | PASS |
| intel-2022a_omp_impi | -2.020313378036976e+00 | 1.768802638579814e-06 | 3.441250269610533e-01 | PASS |
| eb_foss-2022a_mpi | -2.020313285763902e+00 | 1.861075712206173e-06 | 3.620769868105395e-01 | PASS |
| eb_foss-2022b_libxc6_mpi | -2.020313269449678e+00 | 1.877389935955875e-06 | 3.652509603026995e-01 | PASS |
| eb_foss-2022a_mpi_debug | -2.020313306155299e+00 | 1.840684315190799e-06 | 3.581097889476263e-01 | PASS |