Match comparison for Multipoles [step 0] (match type 12077)
Commits >
Commit a4341ac9f169107ec4cef5019cc6269df7c401ac >
Input 14-fullerene_unpacked.03-td-packed.inp
General information
Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
-1.211520628226222e-03 | 5.140000000000000e-06 | -1.209096706151888e-03 | 3.797150395306583e-06 | -1.211573943639528e-03 | 4.622033061611741e-06 | PASS |
Checks do not indicate problems with this match.
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Detailed information
Reference: -0.001211520628226222, precision: 0.00000514Run | Value | Difference | Relative difference | Status |
spack_foss-2022a_serial_min | -1.216195976701140e-03 | -4.675348474917967e-06 | -9.096008706066084e-01 | PASS |
spack_foss-2023a_serial_min | -1.216195976701140e-03 | -4.675348474917967e-06 | -9.096008706066084e-01 | PASS |
spack_foss-2023a_serial | -1.216195976701140e-03 | -4.675348474917967e-06 | -9.096008706066084e-01 | PASS |
spack_foss-2023a_serial_opt | -1.206951910577916e-03 | 4.568717648305515e-06 | 8.888555736002948e-01 | PASS |
spack_foss-2022a_serial | -1.216195976701140e-03 | -4.675348474917967e-06 | -9.096008706066084e-01 | PASS |
spack_foss-2023b_serial | -1.216195976701140e-03 | -4.675348474917967e-06 | -9.096008706066084e-01 | PASS |
spack_foss-2022a_ppc | -1.207161061433260e-03 | 4.359566792962394e-06 | 8.481647457125281e-01 | PASS |
spack_foss-2022a_mpi_min | -1.206989655173463e-03 | 4.530973052759230e-06 | 8.815122670737802e-01 | PASS |
spack_foss-2023a_mpi_min | -1.206989655173463e-03 | 4.530973052759230e-06 | 8.815122670737802e-01 | PASS |
spack_foss-2023a_serial_debug | -1.216195976701140e-03 | -4.675348474917967e-06 | -9.096008706066084e-01 | PASS |
spack_foss-2023a_serial_omp | -1.206973290279592e-03 | 4.547337946629810e-06 | 8.846960985661109e-01 | PASS |
spack_foss-2022a_cuda_serial | -1.206976685432098e-03 | 4.543942794123451e-06 | 8.840355630590373e-01 | PASS |
spack_foss-2023a_mpi_opt | -1.207205981478290e-03 | 4.314646747931522e-06 | 8.394254373407631e-01 | PASS |
spack_foss-2022a_mpi | -1.206984807646666e-03 | 4.535820579555866e-06 | 8.824553656723475e-01 | PASS |
spack_foss-2023a_mpi | -1.207050447223981e-03 | 4.470181002240664e-06 | 8.696850198911799e-01 | PASS |
cmake_foss_2022a_full_mpi | -1.207081878146068e-03 | 4.438750080153426e-06 | 8.635700545045575e-01 | PASS |
spack_foss-2022a_cuda_mpi_omp | -1.207083727451708e-03 | 4.436900774514247e-06 | 8.632102674152231e-01 | PASS |
spack_foss-2023a_mpi_debug | -1.206967838234679e-03 | 4.552789991542567e-06 | 8.857568076931064e-01 | PASS |
spack_foss-2023a_mpi_omp | -1.207037540472730e-03 | 4.483087753491760e-06 | 8.721960609906149e-01 | PASS |
cmake_foss_2022a_min_serial | -1.206951910577916e-03 | 4.568717648305515e-06 | 8.888555736002948e-01 | PASS |
cmake_foss_2022a_full_serial | -1.206951910577916e-03 | 4.568717648305515e-06 | 8.888555736002948e-01 | PASS |
cmake_foss_2022a_min_mpi | -1.207001239402150e-03 | 4.519388824071819e-06 | 8.792585260840114e-01 | PASS |
spack_intel-2023a_serial | -1.207662999873849e-03 | 3.857628352373294e-06 | 7.505113526018081e-01 | PASS |
spack_intel-2022a_serial_omp | -1.207023383647005e-03 | 4.497244579217347e-06 | 8.749503072407290e-01 | PASS |
spack_intel-2023a_serial_omp | -1.207108607710075e-03 | 4.412020516146803e-06 | 8.583697502231135e-01 | PASS |
spack_intel-2023a_impi | -1.207072102043405e-03 | 4.448526182816931e-06 | 8.654720200032940e-01 | PASS |
spack_intel-2022a_impi_omp | -1.207208573337906e-03 | 4.312054888315703e-06 | 8.389211844972185e-01 | PASS |