Match comparison for Multipoles [step 20] (match type 12078)
Commits >
Commit b2c9b4a951ad3e3faeb99c2d543d652f634c0371 >
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 | -2.020313745900312e+00 | 1.221545737165457e-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 |
| 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 |
| intel-2022a | -2.020313460898087e+00 | 1.685941526829993e-06 | 3.280041880992204e-01 | PASS |
| spack_foss-2022a_serial_omp | -2.020313246865947e+00 | 1.899973666841248e-06 | 3.696446822648343e-01 | PASS |
| cmake_foss_2022a_full_serial | -2.020313218895844e+00 | 1.927943769963747e-06 | 3.750863365688223e-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 | -2.020313328558282e+00 | 1.818281332610638e-06 | 3.537512320254160e-01 | PASS |
| intel-2022a_omp | -2.020313353265321e+00 | 1.793574293529332e-06 | 3.489444150835276e-01 | PASS |
| intel-2022b_impi | -2.020313361750136e+00 | 1.785089478012480e-06 | 3.472936727650740e-01 | PASS |
| intel-2022a_impi | -2.020313270651706e+00 | 1.876187908145255e-06 | 3.650171027519951e-01 | PASS |
| cmake_foss_2022a_min_mpi | -2.020313257749860e+00 | 1.889089753959183e-06 | 3.675271894862224e-01 | PASS |
| cmake_foss_2022a_min_serial | -2.020313218895844e+00 | 1.927943769963747e-06 | 3.750863365688223e-01 | PASS |
| foss-2022a_mpi_omp | -2.020313270277182e+00 | 1.876562432556739e-06 | 3.650899674234900e-01 | PASS |
| eb_fosscuda-2022a_mpi_omp | -2.020313296293581e+00 | 1.850546032855505e-06 | 3.600284110613822e-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 | -2.020313244442881e+00 | 1.902396733033385e-06 | 3.701160959208920e-01 | PASS |
| eb_foss-2022a_mpi | -2.020313375917600e+00 | 1.770922014809884e-06 | 3.445373569669035e-01 | PASS |
| eb_foss-2022b_libxc6_mpi | -2.020313232736266e+00 | 1.914103348710228e-06 | 3.723936476089937e-01 | PASS |
| eb_foss-2022a_mpi_debug | -2.020313256205446e+00 | 1.890634168333349e-06 | 3.678276592088228e-01 | PASS |
| eb_fosscuda-2022a | -2.020313229136168e+00 | 1.917703446707719e-06 | 3.730940557797119e-01 | PASS |