Match comparison for Exchange energy (match type 12054)

Commits > Commit f1dbe11076ccb3bb542605fe66566061d8720041 > Input 14-fullerene_unpacked.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-9.198630448000000e+01 2.160000000000000e-06 -9.198630435814815e+01 1.329727624056322e-07 -9.198630447500000e+01 2.749999978846063e-07 PASS
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Detailed information

Reference: -91.98630448, precision: 0.00000216
Run Value Difference Relative difference Status
spack_foss-2022a_ppc -9.198630434000000e+01 1.399999973727972e-07 6.481481359851723e-02 PASS
cmake_foss_2022a_full_serial -9.198630436000001e+01 1.199999957179898e-07 5.555555357314343e-02 PASS
cmake_foss_2022a_min_serial -9.198630436000001e+01 1.199999957179898e-07 5.555555357314343e-02 PASS
spack_foss-2022a_cuda_mpi_omp -9.198630433000000e+01 1.500000053056283e-07 6.944444690075384e-02 PASS
cmake_foss_2022a_min_mpi -9.198630436000001e+01 1.199999957179898e-07 5.555555357314343e-02 PASS
cmake_foss_2022a_full_mpi -9.198630442000000e+01 6.000000496442226e-08 2.777778007612142e-02 PASS
spack_foss-2022a_serial_min -9.198630420000001e+01 2.799999947455944e-07 1.296296271970345e-01 PASS
spack_foss-2022a_serial -9.198630420000001e+01 2.799999947455944e-07 1.296296271970345e-01 PASS
spack_foss-2022a_mpi_min -9.198630437000000e+01 1.100000019960135e-07 5.092592685000623e-02 PASS
spack_foss-2022a_mpi -9.198630434000000e+01 1.399999973727972e-07 6.481481359851723e-02 PASS
spack_foss-2023a_mpi -9.198630435000000e+01 1.300000036508209e-07 6.018518687538003e-02 PASS
spack_foss-2023a_mpi_min -9.198630437000000e+01 1.100000019960135e-07 5.092592685000623e-02 PASS
spack_foss-2023a_mpi_debug -9.198630436000001e+01 1.199999957179898e-07 5.555555357314343e-02 PASS
spack_foss-2023a_serial -9.198630420000001e+01 2.799999947455944e-07 1.296296271970345e-01 PASS
spack_foss-2023a_serial_min -9.198630420000001e+01 2.799999947455944e-07 1.296296271970345e-01 PASS
spack_foss-2022a_cuda_serial -9.198630432000000e+01 1.599999990276046e-07 7.407407362389104e-02 PASS
spack_foss-2023a_mpi_opt -9.198630452000000e+01 -4.000000330961484e-08 -1.851852005074761e-02 PASS
spack_foss-2023a_serial_debug -9.198630420000001e+01 2.799999947455944e-07 1.296296271970345e-01 PASS
spack_foss-2023a_serial_opt -9.198630436000001e+01 1.199999957179898e-07 5.555555357314343e-02 PASS
spack_foss-2023b_serial -9.198630420000001e+01 2.799999947455944e-07 1.296296271970345e-01 PASS
spack_foss-2023a_serial_omp -9.198630435000000e+01 1.300000036508209e-07 6.018518687538003e-02 PASS
spack_foss-2023a_mpi_omp -9.198630459000000e+01 -1.100000019960135e-07 -5.092592685000623e-02 PASS
spack_intel-2023a_serial -9.198630464000000e+01 -1.599999990276046e-07 -7.407407362389104e-02 PASS
spack_intel-2022a_serial_omp -9.198630438000001e+01 9.999999406318238e-08 4.629629354776962e-02 PASS
spack_intel-2023a_serial_omp -9.198630430000000e+01 1.800000006824121e-07 8.333333364926485e-02 PASS
spack_intel-2023a_impi -9.198630475000000e+01 -2.700000010236181e-07 -1.250000004738973e-01 PASS
spack_intel-2022a_impi_omp -9.198630430000000e+01 1.800000006824121e-07 8.333333364926485e-02 PASS