Match comparison for Multipoles [step 20] (match type 12078)
Commits >
Commit 7a2379c5947d58fb2522a5e1a0c4903dfa35a523 >
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 | -2.020314123743742e+00 | 1.603337302524935e-06 | -2.020315162613389e+00 | 1.958570793769709e-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-2023a_mpi_debug | -2.020313277364139e+00 | 1.869475474869375e-06 | 3.637111818812014e-01 | PASS |
| spack_foss-2023a_mpi_omp | -2.020313297744211e+00 | 1.849095403017031e-06 | 3.597461873573991e-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 | -2.020313234540931e+00 | 1.912298683404146e-06 | 3.720425454093668e-01 | PASS |
| cmake_foss_2022a_full_mpi | -2.020313204042595e+00 | 1.942797019705012e-06 | 3.779760738725703e-01 | PASS |
| spack_intel-2023a_serial | -2.020313528549583e+00 | 1.618290030869218e-06 | 3.148424184570464e-01 | PASS |
| spack_intel-2022a_impi_omp | -2.020313330227673e+00 | 1.816611940874679e-06 | 3.534264476409882e-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 | -2.020313254080582e+00 | 1.892759032173785e-06 | 3.682410568431489e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -2.020313224852608e+00 | 1.921987005992776e-06 | 3.739274330725245e-01 | PASS |
| spack_foss-2022a_serial_min | -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-2022a_serial | -2.020317121184182e+00 | -1.974344567834407e-06 | -3.841137291506629e-01 | PASS |
| spack_foss-2023a_serial | -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_ppc | -2.020313308059224e+00 | 1.838780390173156e-06 | 3.577393755200692e-01 | PASS |
| spack_foss-2022a_cuda_serial | -2.020313229249438e+00 | 1.917590176425676e-06 | 3.730720187598592e-01 | PASS |
| spack_foss-2023a_mpi_min | -2.020313234969951e+00 | 1.911869663473453e-06 | 3.719590784967808e-01 | PASS |
| spack_foss-2022a_mpi_min | -2.020313234969951e+00 | 1.911869663473453e-06 | 3.719590784967808e-01 | PASS |
| spack_foss-2023a_serial_omp | -2.020313227808285e+00 | 1.919031328956322e-06 | 3.733523986296347e-01 | PASS |
| spack_foss-2023a_serial_debug | -2.020317121184182e+00 | -1.974344567834407e-06 | -3.841137291506629e-01 | PASS |
| spack_foss-2023a_mpi_opt | -2.020313321786745e+00 | 1.825052868831278e-06 | 3.550686515235950e-01 | PASS |
| spack_foss-2022a_mpi | -2.020313273594398e+00 | 1.873245215833208e-06 | 3.644445945200794e-01 | PASS |
| spack_foss-2023a_mpi | -2.020313240098464e+00 | 1.906741150747848e-06 | 3.709613133750678e-01 | PASS |