Match comparison for Multipoles [step 20] (match type 12074)
Commits >
Commit ee11de90c734467b7aebfc32d0117fe9ec1eea84 >
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 | -2.020314158254546e+00 | 1.587184135747067e-06 | -2.020315168636396e+00 | 1.952547785455394e-06 | PASS |
Checks do not indicate problems with this match.
Loading plot...
Detailed information
Reference: -2.0203151468396143, precision: 0.00000514| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_ppc | -2.020313308059224e+00 | 1.838780390173156e-06 | 3.577393755200692e-01 | PASS |
| spack_foss-2022a_mpi | -2.020313291481512e+00 | 1.855358102709204e-06 | 3.609646114220241e-01 | PASS |
| cmake_foss_2022a_full_mpi | -2.020313441997410e+00 | 1.704842203853474e-06 | 3.316813626174074e-01 | PASS |
| cmake_foss_2022a_min_serial | -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_min_mpi | -2.020313253146076e+00 | 1.893693537979857e-06 | 3.684228673112562e-01 | PASS |
| spack_foss-2022a_serial | -2.020317121184182e+00 | -1.974344567834407e-06 | -3.841137291506629e-01 | PASS |
| spack_foss-2022a_serial_min | -2.020317121184182e+00 | -1.974344567834407e-06 | -3.841137291506629e-01 | PASS |
| spack_foss-2022a_mpi_min | -2.020313234969951e+00 | 1.911869663473453e-06 | 3.719590784967808e-01 | PASS |
| spack_foss-2023a_mpi_min | -2.020313234969951e+00 | 1.911869663473453e-06 | 3.719590784967808e-01 | PASS |
| spack_foss-2023a_mpi_opt | -2.020313450794633e+00 | 1.696044981791545e-06 | 3.299698408154756e-01 | PASS |
| spack_foss-2023a_mpi | -2.020313634825203e+00 | 1.512014411009233e-06 | 2.941662278228079e-01 | PASS |
| spack_foss-2023a_serial | -2.020317121184182e+00 | -1.974344567834407e-06 | -3.841137291506629e-01 | PASS |
| spack_foss-2023a_serial_min | -2.020317121184182e+00 | -1.974344567834407e-06 | -3.841137291506629e-01 | PASS |
| spack_foss-2023a_mpi_debug | -2.020313259158320e+00 | 1.887681293943899e-06 | 3.672531700279960e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -2.020313277867627e+00 | 1.868971987395440e-06 | 3.636132271197355e-01 | PASS |
| spack_foss-2023a_serial_debug | -2.020317121184182e+00 | -1.974344567834407e-06 | -3.841137291506629e-01 | PASS |
| spack_foss-2023a_serial_opt | -2.020313218895844e+00 | 1.927943769963747e-06 | 3.750863365688223e-01 | PASS |
| spack_foss-2023b_serial | -2.020317121184182e+00 | -1.974344567834407e-06 | -3.841137291506629e-01 | PASS |
| spack_foss-2022a_cuda_serial | -2.020313229249438e+00 | 1.917590176425676e-06 | 3.730720187598592e-01 | PASS |
| spack_foss-2023a_serial_omp | -2.020313227808285e+00 | 1.919031328956322e-06 | 3.733523986296347e-01 | PASS |
| spack_intel-2023a_serial | -2.020313528549583e+00 | 1.618290030869218e-06 | 3.148424184570464e-01 | PASS |
| spack_intel-2022a_serial_omp | -2.020313249433580e+00 | 1.897406034068183e-06 | 3.691451428148216e-01 | PASS |
| spack_intel-2023a_serial_omp | -2.020313285916060e+00 | 1.860923553920202e-06 | 3.620473840311677e-01 | PASS |
| spack_intel-2023a_impi | -2.020313216088611e+00 | 1.930751003076381e-06 | 3.756324908708912e-01 | PASS |
| spack_intel-2022a_impi_omp | -2.020313274768822e+00 | 1.872070792607872e-06 | 3.642161075112591e-01 | PASS |
| spack_foss-2023a_mpi_omp | -2.020313489995824e+00 | 1.656843790165397e-06 | 3.223431498376258e-01 | PASS |