Match comparison for Multipoles [step 20] (match type 12078)
Commits >
Commit daa93de2f371acc02c8ba320d7b5759725cfd1f4 >
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 | -2.020313741568883e+00 | 1.199562211851630e-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 |
| 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_opt | -2.020313218895844e+00 | 1.927943769963747e-06 | 3.750863365688223e-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_mpi | -2.020313674393492e+00 | 1.472446122363635e-06 | 2.864681171913688e-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 | -2.020313318415716e+00 | 1.828423898508902e-06 | 3.557244938733272e-01 | PASS |
| intel-2022a_impi | -2.020313347382328e+00 | 1.799457286288941e-06 | 3.500889662040742e-01 | PASS |
| eb_fosscuda-2022a_mpi_omp | -2.020313382694002e+00 | 1.764145612703771e-06 | 3.432189907983991e-01 | PASS |
| eb_fosscuda-2022a | -2.020313229136168e+00 | 1.917703446707719e-06 | 3.730940557797119e-01 | PASS |
| cmake_foss_2022a_min_serial | -2.020313218895844e+00 | 1.927943769963747e-06 | 3.750863365688223e-01 | PASS |
| foss-2022a_mpi_omp | -2.020313232742474e+00 | 1.914097140343074e-06 | 3.723924397554619e-01 | PASS |
| cmake_foss_2022a_min_mpi | -2.020313322587858e+00 | 1.824251756765705e-06 | 3.549127931450787e-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 | -2.020313308034037e+00 | 1.838805577136782e-06 | 3.577442757075451e-01 | PASS |
| eb_foss-2022a_mpi | -2.020313209447243e+00 | 1.937392370976454e-06 | 3.769245857930845e-01 | PASS |
| eb_foss-2022b_libxc6_mpi | -2.020313253606276e+00 | 1.893233338101652e-06 | 3.683333342610218e-01 | PASS |
| eb_foss-2022a_mpi_debug | -2.020313255335408e+00 | 1.891504206597006e-06 | 3.679969273535030e-01 | PASS |