Match comparison for Multipoles [step 20] (match type 12074)
Commits >
Commit 12c5144371d4b1b6f2306d5bbdf3ce56936365b0 >
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 | -2.020313648658426e+00 | 1.102007357119441e-06 | -2.020315146839614e+00 | 1.974344568056452e-06 | PASS |
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Detailed information
Reference: -2.0203151468396143, precision: 0.00000514| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_mpi | -2.020313331109578e+00 | 1.815730036547336e-06 | 3.532548709236062e-01 | PASS |
| spack_foss-2022a_mpi_opt | -2.020313253872058e+00 | 1.892967556038627e-06 | 3.682816256884489e-01 | PASS |
| spack_foss-2022a_mpi_wo_codecov | -2.020313289457628e+00 | 1.857381985992390e-06 | 3.613583630335390e-01 | PASS |
| spack_foss-2022a_mpi_debug | -2.020313230939919e+00 | 1.915899694893142e-06 | 3.727431313021676e-01 | PASS |
| spack_foss-2022a_mpi_omp | -2.020313247071458e+00 | 1.899768156121695e-06 | 3.696046996345710e-01 | PASS |
| foss-2022a_ppc | -2.020313239278030e+00 | 1.907561584246764e-06 | 3.711209307873082e-01 | PASS |
| cmake_foss_2022a_min_serial | -2.020313218895844e+00 | 1.927943769963747e-06 | 3.750863365688223e-01 | PASS |
| spack_foss-2022a_serial_opt | -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_full_mpi | -2.020313252699816e+00 | 1.894139798785943e-06 | 3.685096884797555e-01 | PASS |
| cmake_foss_2022a_min_mpi | -2.020313292943620e+00 | 1.853895994052834e-06 | 3.606801544849872e-01 | PASS |
| eb_foss-2022a | -2.020313439073350e+00 | 1.707766263958632e-06 | 3.322502459063487e-01 | PASS |
| eb_foss-2022a_debug | -2.020313439073350e+00 | 1.707766263958632e-06 | 3.322502459063487e-01 | PASS |
| eb_foss-2022a_mpi | -2.020313352886896e+00 | 1.793952718820435e-06 | 3.490180386810185e-01 | PASS |
| eb_foss-2022b_libxc6 | -2.020313172495046e+00 | 1.974344568278497e-06 | 3.841137292370616e-01 | PASS |
| foss-2022a_opt | -2.020313362744527e+00 | 1.784095087664639e-06 | 3.471002116079064e-01 | PASS |
| foss-2022a_omp | -2.020313293753011e+00 | 1.853086603276211e-06 | 3.605226854622978e-01 | PASS |
| intel-2022a | -2.020313460898087e+00 | 1.685941526829993e-06 | 3.280041880992204e-01 | PASS |
| eb_foss-2022b_libxc6_mpi | -2.020313240590727e+00 | 1.906248887628692e-06 | 3.708655423402125e-01 | PASS |
| intel-2022b | -2.020313460898087e+00 | 1.685941526829993e-06 | 3.280041880992204e-01 | PASS |
| spack_foss-2022a_serial | -2.020317121184182e+00 | -1.974344567834407e-06 | -3.841137291506629e-01 | PASS |
| intel-2022a_omp | -2.020313353265321e+00 | 1.793574293529332e-06 | 3.489444150835276e-01 | PASS |
| eb_foss-2022a_mpi_debug | -2.020313230495647e+00 | 1.916343967067746e-06 | 3.728295655773826e-01 | PASS |
| spack_foss-2022a_serial_min | -2.020317121184182e+00 | -1.974344567834407e-06 | -3.841137291506629e-01 | PASS |
| intel-2022a_impi | -2.020313266671001e+00 | 1.880168613688227e-06 | 3.657915590833126e-01 | PASS |
| intel-2022b_impi | -2.020313236604893e+00 | 1.910234721513859e-06 | 3.716409964034746e-01 | PASS |
| spack_foss-2022a_serial_debug | -2.020317121184182e+00 | -1.974344567834407e-06 | -3.841137291506629e-01 | PASS |
| eb_fosscuda-2022a | -2.020313229136168e+00 | 1.917703446707719e-06 | 3.730940557797119e-01 | PASS |
| foss-2022a_mpi_omp | -2.020313626148947e+00 | 1.520690667167202e-06 | 2.958542154021793e-01 | PASS |
| spack_foss-2022a_serial_omp | -2.020313246865947e+00 | 1.899973666841248e-06 | 3.696446822648343e-01 | PASS |
| intel-2022a_omp_impi | -2.020313254572236e+00 | 1.892267378345025e-06 | 3.681454043472812e-01 | PASS |
| eb_fosscuda-2022a_mpi_omp | -2.020313277866919e+00 | 1.868972694829552e-06 | 3.636133647528311e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -2.020313304075713e+00 | 1.842763901027666e-06 | 3.585143776318417e-01 | PASS |