Match comparison for Hartree energy (match type 30556)

Commits > Commit eddb1a976bbe1f1b2f6bb64793dd776e6572a2b5 > Input 18-mgga.02-br89_oep.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
4.641734400000000e+00 2.820000000000000e-05 4.641739043030304e+00 1.210094624021597e-05 4.641731290000000e+00 2.015000000010758e-05 PASS

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Detailed information

Reference: 4.6417344, precision: 0.0000282
Run Value Difference Relative difference Status
foss-cmake-zen4: [foss2023a-serial, foss-min] 4.641738580000000e+00 4.180000000353346e-06 1.482269503671399e-01 PASS
foss-cmake-zen4: [foss2023a-serial, foss-full] 4.641738580000000e+00 4.180000000353346e-06 1.482269503671399e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] 4.641745730000000e+00 1.133000000042017e-05 4.017730496602897e-01 PASS
foss_cmake: [foss2022a-serial, foss-min] 4.641745770000000e+00 1.137000000017707e-05 4.031914893679813e-01 PASS
foss-serial-min: [foss2023b-serial] 4.641745770000000e+00 1.137000000017707e-05 4.031914893679813e-01 PASS
foss-serial-min: [foss2022a-serial] 4.641745770000000e+00 1.137000000017707e-05 4.031914893679813e-01 PASS
foss-serial-min: [foss2023a-serial] 4.641745770000000e+00 1.137000000017707e-05 4.031914893679813e-01 PASS
foss_cmake: [foss2022a-serial, foss-full] 4.641745770000000e+00 1.137000000017707e-05 4.031914893679813e-01 PASS
foss-serial-full: [foss2023a-serial] 4.641745770000000e+00 1.137000000017707e-05 4.031914893679813e-01 PASS
foss-opt-full: [foss2023a-serial] 4.641745770000000e+00 1.137000000017707e-05 4.031914893679813e-01 PASS
intel-serial: [intel2023a-serial] 4.641744360000000e+00 9.959999999864522e-06 3.531914893568979e-01 PASS
foss-serial-full: [foss2023b-serial] 4.641745770000000e+00 1.137000000017707e-05 4.031914893679813e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] 4.641745760000000e+00 1.136000000023785e-05 4.028368794410584e-01 PASS
foss-ppc: [foss2022a-serial] 4.641742030000000e+00 7.629999999814174e-06 2.705673758799352e-01 PASS
foss-serial-debug: [foss2023a-serial] 4.641745770000000e+00 1.137000000017707e-05 4.031914893679813e-01 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] 4.641711140000000e+00 -2.325999999985839e-05 -8.248226950304395e-01 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] 4.641711140000000e+00 -2.325999999985839e-05 -8.248226950304395e-01 PASS
intel-omp: [intel2023a-serial] 4.641746780000000e+00 1.238000000025608e-05 4.390070922076622e-01 PASS
intel-omp: [intel2022a-serial] 4.641746790000000e+00 1.239000000019530e-05 4.393617021345851e-01 PASS
foss-omp-full: [foss2023a-serial] 4.641740500000000e+00 6.100000000230921e-06 2.163120567457773e-01 PASS
foss-mpi-opt-full: [foss2023a-mpi] 4.641711140000000e+00 -2.325999999985839e-05 -8.248226950304395e-01 PASS
foss-mpi-full: [foss2023a-mpi] 4.641711140000000e+00 -2.325999999985839e-05 -8.248226950304395e-01 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] 4.641741220000000e+00 6.820000000296034e-06 2.418439716417033e-01 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] 4.641741220000000e+00 6.820000000296034e-06 2.418439716417033e-01 PASS
cuda-serial: [foss2022a-cuda-mpi] 4.641741240000000e+00 6.840000000174484e-06 2.425531914955491e-01 PASS
intel_mpi_autotools: [intel2023a-mpi] 4.641745210000000e+00 1.081000000002774e-05 3.833333333343171e-01 PASS
foss-mpi-debug: [foss2023a-mpi] 4.641711140000000e+00 -2.325999999985839e-05 -8.248226950304395e-01 PASS
foss-mpi-min: [foss2023a-mpi] 4.641741220000000e+00 6.820000000296034e-06 2.418439716417033e-01 PASS
foss-mpi-min: [foss2022a-mpi] 4.641741220000000e+00 6.820000000296034e-06 2.418439716417033e-01 PASS
foss-mpi-omp-full: [foss2023a-mpi] 4.641751440000000e+00 1.704000000035677e-05 6.042553191615876e-01 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] 4.641739270000000e+00 4.870000000600783e-06 1.726950354822973e-01 PASS
cuda-mpi-omp: [foss2022a-cuda-mpi] 4.641745250000000e+00 1.084999999978464e-05 3.847517730420086e-01 PASS
valgrind: [foss2023a-serial] 4.641744390000000e+00 9.990000000570376e-06 3.542553191691623e-01 PASS