Match comparison for Hartree energy (match type 30556)

Commits > Commit 3d047708c1ab8d71894fb240c9b3cff2ecebd198 > Input 18-mgga.02-br89_oep.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
4.641727675000000e+00 2.660000000000000e-05 4.641736942424243e+00 9.476218089162813e-06 4.641731464999999e+00 2.041500000027341e-05 PASS

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Detailed information

Reference: 4.641727675, precision: 0.0000266
Run Value Difference Relative difference Status
foss-cmake-zen4: [foss2023a-serial, foss-min] 4.641738330000000e+00 1.065499999963748e-05 4.005639097608076e-01 PASS
foss-cmake-zen4: [foss2023a-serial, foss-full] 4.641738330000000e+00 1.065499999963748e-05 4.005639097608076e-01 PASS
foss-ppc: [foss2022a-serial] 4.641738440000000e+00 1.076499999985714e-05 4.046992481149300e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] 4.641738330000000e+00 1.065499999963748e-05 4.005639097608076e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] 4.641738330000000e+00 1.065499999963748e-05 4.005639097608076e-01 PASS
foss-serial-full: [foss2023a-serial] 4.641739500000000e+00 1.182499999963227e-05 4.445488721666266e-01 PASS
foss-serial-full: [foss2023b-serial] 4.641739500000000e+00 1.182499999963227e-05 4.445488721666266e-01 PASS
intel_omp_autotools: [intel2022a-serial] 4.641711060000000e+00 -1.661499999983107e-05 -6.246240601440253e-01 PASS
intel_omp_autotools: [intel2023a-serial] 4.641711060000000e+00 -1.661499999983107e-05 -6.246240601440253e-01 PASS
foss-serial-min: [foss2022a-serial] 4.641739500000000e+00 1.182499999963227e-05 4.445488721666266e-01 PASS
foss-serial-debug: [foss2023a-serial] 4.641739500000000e+00 1.182499999963227e-05 4.445488721666266e-01 PASS
foss-serial-min: [foss2023a-serial] 4.641739500000000e+00 1.182499999963227e-05 4.445488721666266e-01 PASS
foss-serial-min: [foss2023b-serial] 4.641739500000000e+00 1.182499999963227e-05 4.445488721666266e-01 PASS
foss-opt-full: [foss2023a-serial] 4.641739500000000e+00 1.182499999963227e-05 4.445488721666266e-01 PASS
foss_cmake: [foss2022a-serial, foss-min] 4.641739500000000e+00 1.182499999963227e-05 4.445488721666266e-01 PASS
intel-serial: [intel2023a-serial] 4.641743730000000e+00 1.605499999968174e-05 6.035714285594640e-01 PASS
foss_cmake: [foss2022a-serial, foss-full] 4.641739500000000e+00 1.182499999963227e-05 4.445488721666266e-01 PASS
intel_mpi_autotools: [intel2023a-mpi] 4.641743730000000e+00 1.605499999968174e-05 6.035714285594640e-01 PASS
foss-omp-full: [foss2023a-serial] 4.641744300000000e+00 1.662499999977030e-05 6.249999999913645e-01 PASS
foss-mpi-opt-full: [foss2023a-mpi] 4.641739500000000e+00 1.182499999963227e-05 4.445488721666266e-01 PASS
foss-mpi-full: [foss2023a-mpi] 4.641739500000000e+00 1.182499999963227e-05 4.445488721666266e-01 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] 4.641739500000000e+00 1.182499999963227e-05 4.445488721666266e-01 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] 4.641739500000000e+00 1.182499999963227e-05 4.445488721666266e-01 PASS
foss-mpi-min: [foss2023a-mpi] 4.641739500000000e+00 1.182499999963227e-05 4.445488721666266e-01 PASS
foss-mpi-debug: [foss2023a-mpi] 4.641739500000000e+00 1.182499999963227e-05 4.445488721666266e-01 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] 4.641739500000000e+00 1.182499999963227e-05 4.445488721666266e-01 PASS
foss-mpi-min: [foss2022a-mpi] 4.641739500000000e+00 1.182499999963227e-05 4.445488721666266e-01 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] 4.641739500000000e+00 1.182499999963227e-05 4.445488721666266e-01 PASS
foss-mpi-omp-full: [foss2023a-mpi] 4.641744300000000e+00 1.662499999977030e-05 6.249999999913645e-01 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] 4.641711050000000e+00 -1.662500000065847e-05 -6.250000000247546e-01 PASS
valgrind: [foss2023a-serial] 4.641738290000000e+00 1.061499999988058e-05 3.990601503714504e-01 PASS
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] 4.641751880000000e+00 2.420499999988834e-05 9.099624060108400e-01 PASS
cuda-serial: [foss2022a-cuda-mpi] 4.641716940000000e+00 -1.073500000003946e-05 -4.035714285729122e-01 PASS