Match comparison for Hartree energy (match type 21422)

Commits > Commit 6e9e1a4536d8fe2a292bd24d601ed608cb4be1e6 > Input 24-hartree_fock_1D.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
2.031368000000000e-01 1.020000000000000e-06 2.031368000000001e-01 5.551115123125783e-17 2.031368000000000e-01 0.000000000000000e+00 PASS
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Detailed information

Reference: 0.2031368, precision: 0.00000102
Run Value Difference Relative difference Status
foss-cmake-zen4: [foss2023a-serial, foss-full] 2.031368000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-cmake-zen4: [foss2023a-serial, foss-min] 2.031368000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-serial-min: [foss2022a-serial] 2.031368000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-serial-min: [foss2023a-serial] 2.031368000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
intel_autotools: [intel2023a-serial] 2.031368000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-opt-full: [foss2023a-serial] 2.031368000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-serial-min: [foss2023b-serial] 2.031368000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-serial-full: [foss2023a-serial] 2.031368000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-serial-full: [foss2023b-serial] 2.031368000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] 2.031368000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-ppc: [foss2022a-serial] 2.031368000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
intel_omp_autotools: [intel2022a-serial] 2.031368000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
intel_omp_autotools: [intel2023a-serial] 2.031368000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-serial-debug: [foss2023a-serial] 2.031368000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-omp-full: [foss2023a-serial] 2.031368000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] 2.031368000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-mpi-full: [foss2023a-mpi] 2.031368000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
intel_mpi_autotools: [intel2023a-mpi] 2.031368000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-mpi-debug: [foss2023a-mpi] 2.031368000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-mpi-min: [foss2023a-mpi] 2.031368000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-mpi-min: [foss2022a-mpi] 2.031368000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss_cmake: [foss2022a-serial, foss-min] 2.031368000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss_cmake: [foss2022a-serial, foss-full] 2.031368000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-mpi-opt-full: [foss2023a-mpi] 2.031368000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] 2.031368000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] 2.031368000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] 2.031368000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] 2.031368000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] 2.031368000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-mpi-omp-full: [foss2023a-mpi] 2.031368000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
valgrind: [foss2023a-serial] 2.031368000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS