Match comparison for Multipoles [step 20] (match type 12074)
Commits >
Commit 2b00e292f829221e67a290b840b53bb41bb59499 >
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 | -2.020313779169162e+00 | 1.216733712873973e-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 |
| spack_foss-2022a_serial_min | -2.020317121184182e+00 | -1.974344567834407e-06 | -3.841137291506629e-01 | PASS |
| foss-2022a_ppc | -2.020313239278030e+00 | 1.907561584246764e-06 | 3.711209307873082e-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 |
| intel-2022a | -2.020313460898087e+00 | 1.685941526829993e-06 | 3.280041880992204e-01 | PASS |
| cmake_foss_2022a_full_serial | -2.020313218895844e+00 | 1.927943769963747e-06 | 3.750863365688223e-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 |
| cmake_foss_2022a_full_mpi | -2.020313595533949e+00 | 1.551305665259406e-06 | 3.018104407119467e-01 | PASS |
| cmake_foss_2022a_min_serial | -2.020313218895844e+00 | 1.927943769963747e-06 | 3.750863365688223e-01 | PASS |
| intel-2022a_omp | -2.020313353265321e+00 | 1.793574293529332e-06 | 3.489444150835276e-01 | PASS |
| cmake_foss_2022a_min_mpi | -2.020313213318479e+00 | 1.933521135200067e-06 | 3.761714270817251e-01 | PASS |
| intel-2022a_impi | -2.020313269709132e+00 | 1.877130482608180e-06 | 3.652004829977005e-01 | PASS |
| eb_fosscuda-2022a | -2.020313229136168e+00 | 1.917703446707719e-06 | 3.730940557797119e-01 | PASS |
| foss-2022a_mpi_omp | -2.020313269742260e+00 | 1.877097354441304e-06 | 3.651940378290475e-01 | PASS |
| eb_foss-2022a | -2.020313439073350e+00 | 1.707766263958632e-06 | 3.322502459063487e-01 | PASS |
| spack_foss-2022a_serial_opt | -2.020313218895844e+00 | 1.927943769963747e-06 | 3.750863365688223e-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 | -2.020313903334075e+00 | 1.243505539427758e-06 | 2.419271477485911e-01 | PASS |
| eb_foss-2022a_mpi | -2.020313295630844e+00 | 1.851208769831914e-06 | 3.601573482163256e-01 | PASS |
| eb_foss-2022b_libxc6_mpi | -2.020313239132446e+00 | 1.907707168236072e-06 | 3.711492545206367e-01 | PASS |
| eb_foss-2022a_mpi_debug | -2.020313510703776e+00 | 1.636135838367636e-06 | 3.183143654411744e-01 | PASS |
| eb_fosscuda-2022a_mpi_omp | -2.020313243572254e+00 | 1.903267360603422e-06 | 3.702854787166191e-01 | PASS |