Match comparison for gga_x_optb88_vdw Exchange (match type 12336)

Commits > Commit 332f9cd714e196a805e42e2741bfb36d81a9f700 > Input 03-xc.gga_x_optb88_vdw.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-3.141797550000000e-01 3.840000000000000e-06 -3.141832493750000e-01 9.980449661617614e-09 -3.141832500000000e-01 1.000000002249202e-08 PASS

Checks for this match

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  • Mid point of values far away from reference. Recentering may be necessary.
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Detailed information

Reference: -0.314179755, precision: 0.00000384
Run Value Difference Relative difference Status
foss-serial-debug: [foss2023a-serial] -3.141832400000000e-01 -3.484999999969762e-06 -9.075520833254590e-01 PASS
foss_cmake: [foss2022a-serial, foss-min] -3.141832400000000e-01 -3.484999999969762e-06 -9.075520833254590e-01 PASS
foss_mpi_debug_autotools: [foss2023a-mpi] -3.141832600000000e-01 -3.505000000014746e-06 -9.127604166705069e-01 PASS
foss-omp-full: [foss2023a-serial] -3.141832400000000e-01 -3.484999999969762e-06 -9.075520833254590e-01 PASS
foss_cmake: [foss2022a-serial, foss-full] -3.141832400000000e-01 -3.484999999969762e-06 -9.075520833254590e-01 PASS
intel_mpi_autotools: [intel2023a-mpi] -3.141832600000000e-01 -3.505000000014746e-06 -9.127604166705069e-01 PASS
foss_mpi_omp_autotools: [foss2023a-mpi] -3.141832600000000e-01 -3.505000000014746e-06 -9.127604166705069e-01 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] -3.141832600000000e-01 -3.505000000014746e-06 -9.127604166705069e-01 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] -3.141832600000000e-01 -3.505000000014746e-06 -9.127604166705069e-01 PASS
foss-mpi-min: [foss2023a-mpi] -3.141832600000000e-01 -3.505000000014746e-06 -9.127604166705069e-01 PASS
foss-mpi-min: [foss2022a-mpi] -3.141832600000000e-01 -3.505000000014746e-06 -9.127604166705069e-01 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] -3.141832600000000e-01 -3.505000000014746e-06 -9.127604166705069e-01 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] -3.141832600000000e-01 -3.505000000014746e-06 -9.127604166705069e-01 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] -3.141832600000000e-01 -3.505000000014746e-06 -9.127604166705069e-01 PASS
foss-cmake-zen4: [foss2023a-serial, foss-min] -3.141832400000000e-01 -3.484999999969762e-06 -9.075520833254590e-01 PASS
foss-cmake-zen4: [foss2023a-serial, foss-full] -3.141832400000000e-01 -3.484999999969762e-06 -9.075520833254590e-01 PASS
foss_ppc_autotools: [foss2022a-serial] -3.141832400000000e-01 -3.484999999969762e-06 -9.075520833254590e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] -3.141832600000000e-01 -3.505000000014746e-06 -9.127604166705069e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] -3.141832600000000e-01 -3.505000000014746e-06 -9.127604166705069e-01 PASS
foss_autotools: [foss2022a-serial] -3.141832400000000e-01 -3.484999999969762e-06 -9.075520833254590e-01 PASS
foss_autotools: [foss2023a-serial] -3.141832400000000e-01 -3.484999999969762e-06 -9.075520833254590e-01 PASS
foss_autotools: [foss2023b-serial] -3.141832400000000e-01 -3.484999999969762e-06 -9.075520833254590e-01 PASS
intel_autotools: [intel2023a-serial] -3.141832400000000e-01 -3.484999999969762e-06 -9.075520833254590e-01 PASS
foss-serial-min: [foss2022a-serial] -3.141832400000000e-01 -3.484999999969762e-06 -9.075520833254590e-01 PASS
foss_mpi_autotools: [foss2022a-mpi] -3.141832600000000e-01 -3.505000000014746e-06 -9.127604166705069e-01 PASS
foss_mpi_opt_autotools: [foss2023a-mpi] -3.141832600000000e-01 -3.505000000014746e-06 -9.127604166705069e-01 PASS
foss_mpi_autotools: [foss2023a-mpi] -3.141832600000000e-01 -3.505000000014746e-06 -9.127604166705069e-01 PASS
foss-serial-min: [foss2023a-serial] -3.141832400000000e-01 -3.484999999969762e-06 -9.075520833254590e-01 PASS
foss-serial-min: [foss2023b-serial] -3.141832400000000e-01 -3.484999999969762e-06 -9.075520833254590e-01 PASS
intel_omp_autotools: [intel2022a-serial] -3.141832400000000e-01 -3.484999999969762e-06 -9.075520833254590e-01 PASS
foss-opt-full: [foss2023a-serial] -3.141832400000000e-01 -3.484999999969762e-06 -9.075520833254590e-01 PASS
intel_omp_autotools: [intel2023a-serial] -3.141832400000000e-01 -3.484999999969762e-06 -9.075520833254590e-01 PASS