Match comparison for Multipoles [step 20] (match type 12078)

Commits > Commit 08b73ec86c1ce3969ff61040f8f54a592910f9b6 > 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 -2.020314135226386e+00 1.598176426374949e-06 -2.020315170040013e+00 1.951144168899077e-06 PASS
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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
cmake_foss_2022a_full_mpi -2.020313239320185e+00 1.907519429522608e-06 3.711127294791067e-01 PASS
cmake_foss_2022a_full_serial -2.020313218895844e+00 1.927943769963747e-06 3.750863365688223e-01 PASS
cmake_foss_2022a_min_serial -2.020313218895844e+00 1.927943769963747e-06 3.750863365688223e-01 PASS
cmake_foss_2022a_min_mpi -2.020313219393558e+00 1.927446056093629e-06 3.749895050765815e-01 PASS
spack_foss-2022a_cuda_serial -2.020313229249438e+00 1.917590176425676e-06 3.730720187598592e-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-2022a_mpi -2.020313240070690e+00 1.906768924087032e-06 3.709667167484498e-01 PASS
spack_foss-2022a_cuda_mpi_omp -2.020313322893695e+00 1.823945919632308e-06 3.548532917572584e-01 PASS
spack_foss-2023a_mpi_min -2.020313234969951e+00 1.911869663473453e-06 3.719590784967808e-01 PASS
spack_foss-2023a_mpi -2.020313439950158e+00 1.706889455999061e-06 3.320796607002064e-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_opt -2.020313256704095e+00 1.890135519655445e-06 3.677306458473628e-01 PASS
spack_foss-2023a_serial_opt -2.020313218895844e+00 1.927943769963747e-06 3.750863365688223e-01 PASS
spack_foss-2023a_serial_debug -2.020317121184182e+00 -1.974344567834407e-06 -3.841137291506629e-01 PASS
spack_foss-2023b_serial -2.020317121184182e+00 -1.974344567834407e-06 -3.841137291506629e-01 PASS
spack_foss-2023a_serial_omp -2.020313227808285e+00 1.919031328956322e-06 3.733523986296347e-01 PASS
spack_foss-2023a_mpi_omp -2.020313243708847e+00 1.903130767200167e-06 3.702589041245462e-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_impi -2.020313523304745e+00 1.623534869210630e-06 3.158628150215234e-01 PASS
spack_intel-2023a_serial_omp -2.020313285916060e+00 1.860923553920202e-06 3.620473840311677e-01 PASS
spack_intel-2022a_impi_omp -2.020313245388249e+00 1.901451365249329e-06 3.699321722274960e-01 PASS
spack_foss-2023a_mpi_debug -2.020313237629498e+00 1.909210116224358e-06 3.714416568529880e-01 PASS