Match comparison for Exchange energy (match type 30883)

Commits > Commit 16a288d93f4684890591c6dab8ffeadb82c84e9a > Input 01-nio.01-U5-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-3.092040214000000e+01 4.670000000000000e-07 -3.092040197833333e+01 1.988480709659739e-07 -3.092040196500000e+01 3.550000009511223e-07 FAIL

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Detailed information

Reference: -30.920402139999997, precision: 0.000000467
Run Value Difference Relative difference Status
foss_cmake: [foss2022a-serial, foss-min] -3.092040185000000e+01 2.899999955729982e-07 6.209850012269768e-01 PASS
foss_min_autotools: [foss2022a-serial] -3.092040185000000e+01 2.899999955729982e-07 6.209850012269768e-01 PASS
foss_cmake: [foss2022a-serial, foss-full] -3.092040185000000e+01 2.899999955729982e-07 6.209850012269768e-01 PASS
foss_min_autotools: [foss2023a-serial] -3.092040225000000e+01 -1.100000019960135e-07 -2.355460428180160e-01 PASS
foss_min_autotools: [foss2023b-serial] -3.092040225000000e+01 -1.100000019960135e-07 -2.355460428180160e-01 PASS
foss_opt_autotools: [foss2023a-serial] -3.092040225000000e+01 -1.100000019960135e-07 -2.355460428180160e-01 PASS
foss_autotools: [foss2022a-serial] -3.092040185000000e+01 2.899999955729982e-07 6.209850012269768e-01 PASS
foss_autotools: [foss2023b-serial] -3.092040225000000e+01 -1.100000019960135e-07 -2.355460428180160e-01 PASS
intel_autotools: [intel2023a-serial] -3.092040183000000e+01 3.099999972278056e-07 6.638115572329885e-01 PASS
foss_autotools: [foss2023a-serial] -3.092040225000000e+01 -1.100000019960135e-07 -2.355460428180160e-01 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] -3.092040189000000e+01 2.499999958160970e-07 5.353318968224775e-01 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] -3.092040185000000e+01 2.899999955729982e-07 6.209850012269768e-01 PASS
foss_mpi_min_autotools: [foss2022a-mpi] -3.092040189000000e+01 2.499999958160970e-07 5.353318968224775e-01 PASS
foss_mpi_min_autotools: [foss2023a-mpi] -3.092040185000000e+01 2.899999955729982e-07 6.209850012269768e-01 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] -3.092040189000000e+01 2.499999958160970e-07 5.353318968224775e-01 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] -3.092040185000000e+01 2.899999955729982e-07 6.209850012269768e-01 PASS
foss_debug_autotools: [foss2023a-serial] -3.092040225000000e+01 -1.100000019960135e-07 -2.355460428180160e-01 PASS
foss_omp_autotools: [foss2023a-serial] -3.092040203000000e+01 1.099999948905861e-07 2.355460276029681e-01 PASS
foss_mpi_opt_autotools: [foss2023a-mpi] -3.092040185000000e+01 2.899999955729982e-07 6.209850012269768e-01 PASS
intel_omp_autotools: [intel2022a-serial] -3.092040181000000e+01 3.299999953298993e-07 7.066381056314761e-01 PASS
intel_omp_autotools: [intel2023a-serial] -3.092040199000000e+01 1.499999982002009e-07 3.211991396149913e-01 PASS
foss_mpi_autotools: [foss2022a-mpi] -3.092040189000000e+01 2.499999958160970e-07 5.353318968224775e-01 PASS
foss_ppc_autotools: [foss2022a-serial] -3.092040183000000e+01 3.099999972278056e-07 6.638115572329885e-01 PASS
foss_mpi_autotools: [foss2023a-mpi] -3.092040185000000e+01 2.899999955729982e-07 6.209850012269768e-01 PASS
foss_mpi_debug_autotools: [foss2023a-mpi] -3.092040185000000e+01 2.899999955729982e-07 6.209850012269768e-01 PASS
intel_mpi_autotools: [intel2023a-mpi] -3.092040161000000e+01 5.299999976671188e-07 1.134903635261497e+00 FAIL
foss_mpi_omp_autotools: [foss2023a-mpi] -3.092040232000000e+01 -1.800000042351257e-07 -3.854389812315326e-01 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] -3.092040180000000e+01 3.399999961573030e-07 7.280513836344819e-01 PASS
foss_cuda_autotools: [foss2022a-cuda-mpi] -3.092040229000000e+01 -1.500000017529146e-07 -3.211991472225152e-01 PASS
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] -3.092040228000000e+01 -1.400000044782246e-07 -2.997858768270334e-01 PASS