Match comparison for Exchange energy (match type 28511)

Commits > Commit 58dcf5562fbb52d037ca78866f8fd352b3754746 > Input 01-nio.01-U5-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-2.775870298000000e+01 1.390000000000000e-06 -2.775870337615385e+01 1.749961966782875e-07 -2.775870331500000e+01 2.950000013157705e-07 PASS

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Detailed information

Reference: -27.75870298, precision: 0.00000139
Run Value Difference Relative difference Status
eb_foss-2022a -2.775870361000000e+01 -6.300000023884422e-07 -4.532374117902462e-01 PASS
eb_fosscuda-2022a -2.775870333000000e+01 -3.500000005374204e-07 -2.517985615377125e-01 PASS
intel-2022a_omp -2.775870346000000e+01 -4.800000006355276e-07 -3.453237414644084e-01 PASS
eb_foss-2022a_debug -2.775870361000000e+01 -6.300000023884422e-07 -4.532374117902462e-01 PASS
intel-2022b_impi -2.775870311000000e+01 -1.300000000981072e-07 -9.352517992669582e-02 PASS
intel-2022a_impi -2.775870311000000e+01 -1.300000000981072e-07 -9.352517992669582e-02 PASS
eb_fosscuda-2022a_mpi_omp -2.775870326000000e+01 -2.800000018510218e-07 -2.014388502525337e-01 PASS
eb_foss-2022b_libxc6 -2.775870335000000e+01 -3.700000021922278e-07 -2.661870519368545e-01 PASS
eb_foss-2022a_mpi -2.775870334000000e+01 -3.600000013648241e-07 -2.589928067372835e-01 PASS
eb_foss-2022b_libxc6_mpi -2.775870302000000e+01 -3.999999975690116e-08 -2.877697824237493e-02 PASS
intel-2022a_omp_impi -2.775870360000000e+01 -6.200000015610385e-07 -4.460431665906752e-01 PASS
eb_foss-2022a_mpi_debug -2.775870334000000e+01 -3.600000013648241e-07 -2.589928067372835e-01 PASS
foss-2022a_mpi_omp -2.775870331000000e+01 -3.300000024353267e-07 -2.374100736944796e-01 PASS
cmake_foss_2022a_full_serial -2.775870352000000e+01 -5.400000020472362e-07 -3.884892101059253e-01 PASS
foss-2022a_ppc -2.775870325000000e+01 -2.700000010236181e-07 -1.942446050529626e-01 PASS
spack_foss-2022a_serial_min -2.775870352000000e+01 -5.400000020472362e-07 -3.884892101059253e-01 PASS
spack_foss-2022a_serial -2.775870352000000e+01 -5.400000020472362e-07 -3.884892101059253e-01 PASS
foss-2022a_opt -2.775870361000000e+01 -6.300000023884422e-07 -4.532374117902462e-01 PASS
cmake_foss_2022a_min_mpi -2.775870347000000e+01 -4.900000014629313e-07 -3.525179866639794e-01 PASS
intel-2022b -2.775870315000000e+01 -1.699999998550084e-07 -1.223021581690708e-01 PASS
intel-2022a -2.775870315000000e+01 -1.699999998550084e-07 -1.223021581690708e-01 PASS
spack_foss-2022a_serial_omp -2.775870345000000e+01 -4.699999998081239e-07 -3.381294962648373e-01 PASS
cmake_foss_2022a_full_mpi -2.775870347000000e+01 -4.900000014629313e-07 -3.525179866639794e-01 PASS
spack_foss-2022a_serial_debug -2.775870352000000e+01 -5.400000020472362e-07 -3.884892101059253e-01 PASS
foss-2022a_omp -2.775870318000000e+01 -2.000000023372195e-07 -1.438848937677838e-01 PASS
cmake_foss_2022a_min_serial -2.775870352000000e+01 -5.400000020472362e-07 -3.884892101059253e-01 PASS