Match comparison for Exchange energy (match type 3521)

Commits > Commit 1bf2bc61d0085049d6bd7294e2825d85d95584e0 > Input 15-calcium_psp8_sic.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-4.800561900000000e-01 3.000000000000000e-07 -4.800562400000000e-01 0.000000000000000e+00 -4.800562400000000e-01 0.000000000000000e+00 PASS

Checks for this match

  • Mid point of values far away from reference. Recentering may be necessary.
Loading plot...
Get updated match line Get updated match line with fixed reference

Detailed information

Reference: -0.48005619, precision: 0.0000003
Run Value Difference Relative difference Status
foss-cmake-zen4: [foss2023a-serial, foss-full] -4.800562400000000e-01 -5.000000002919336e-08 -1.666666667639779e-01 PASS
foss-cmake-zen4: [foss2023a-serial, foss-min] -4.800562400000000e-01 -5.000000002919336e-08 -1.666666667639779e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] -4.800562400000000e-01 -5.000000002919336e-08 -1.666666667639779e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] -4.800562400000000e-01 -5.000000002919336e-08 -1.666666667639779e-01 PASS
foss-serial-min: [foss2023a-serial] -4.800562400000000e-01 -5.000000002919336e-08 -1.666666667639779e-01 PASS
foss-serial-min: [foss2022a-serial] -4.800562400000000e-01 -5.000000002919336e-08 -1.666666667639779e-01 PASS
foss-serial-min: [foss2023b-serial] -4.800562400000000e-01 -5.000000002919336e-08 -1.666666667639779e-01 PASS
foss_cmake: [foss2022a-serial, foss-min] -4.800562400000000e-01 -5.000000002919336e-08 -1.666666667639779e-01 PASS
foss-serial-full: [foss2023a-serial] -4.800562400000000e-01 -5.000000002919336e-08 -1.666666667639779e-01 PASS
foss_cmake: [foss2022a-serial, foss-full] -4.800562400000000e-01 -5.000000002919336e-08 -1.666666667639779e-01 PASS
foss-serial-full: [foss2023b-serial] -4.800562400000000e-01 -5.000000002919336e-08 -1.666666667639779e-01 PASS
foss-opt-full: [foss2023a-serial] -4.800562400000000e-01 -5.000000002919336e-08 -1.666666667639779e-01 PASS
intel-serial: [intel2023a-serial] -4.800562400000000e-01 -5.000000002919336e-08 -1.666666667639779e-01 PASS
foss-serial-debug: [foss2023a-serial] -4.800562400000000e-01 -5.000000002919336e-08 -1.666666667639779e-01 PASS
foss-ppc: [foss2022a-serial] -4.800562400000000e-01 -5.000000002919336e-08 -1.666666667639779e-01 PASS
intel-omp: [intel2023a-serial] -4.800562400000000e-01 -5.000000002919336e-08 -1.666666667639779e-01 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] -4.800562400000000e-01 -5.000000002919336e-08 -1.666666667639779e-01 PASS
foss-mpi-opt-full: [foss2023a-mpi] -4.800562400000000e-01 -5.000000002919336e-08 -1.666666667639779e-01 PASS
foss-omp-full: [foss2023a-serial] -4.800562400000000e-01 -5.000000002919336e-08 -1.666666667639779e-01 PASS
intel-omp: [intel2022a-serial] -4.800562400000000e-01 -5.000000002919336e-08 -1.666666667639779e-01 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] -4.800562400000000e-01 -5.000000002919336e-08 -1.666666667639779e-01 PASS
foss-mpi-full: [foss2023a-mpi] -4.800562400000000e-01 -5.000000002919336e-08 -1.666666667639779e-01 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] -4.800562400000000e-01 -5.000000002919336e-08 -1.666666667639779e-01 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] -4.800562400000000e-01 -5.000000002919336e-08 -1.666666667639779e-01 PASS
intel_mpi_autotools: [intel2023a-mpi] -4.800562400000000e-01 -5.000000002919336e-08 -1.666666667639779e-01 PASS
foss-mpi-min: [foss2022a-mpi] -4.800562400000000e-01 -5.000000002919336e-08 -1.666666667639779e-01 PASS
foss-mpi-min: [foss2023a-mpi] -4.800562400000000e-01 -5.000000002919336e-08 -1.666666667639779e-01 PASS
foss-mpi-omp-full: [foss2023a-mpi] -4.800562400000000e-01 -5.000000002919336e-08 -1.666666667639779e-01 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] -4.800562400000000e-01 -5.000000002919336e-08 -1.666666667639779e-01 PASS
valgrind: [foss2023a-serial] -4.800562400000000e-01 -5.000000002919336e-08 -1.666666667639779e-01 PASS
cuda-serial: [foss2022a-cuda-mpi] -4.800562400000000e-01 -5.000000002919336e-08 -1.666666667639779e-01 PASS
cuda-mpi-omp: [foss2022a-cuda-mpi] -4.800562400000000e-01 -5.000000002919336e-08 -1.666666667639779e-01 PASS
foss-mpi-debug: [foss2023a-mpi] -4.800562400000000e-01 -5.000000002919336e-08 -1.666666667639779e-01 PASS