Match comparison for Exchange energy (orbitals) (match type 30563)

Commits > Commit 9972eae3cc35bad71f44bb929051f5e204f853a2 > Input 18-mgga.02-br89_oep.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-2.181951000000000e+00 1.090000000000000e-05 -2.181954696969697e+00 3.511753843783503e-06 -2.181953000000000e+00 8.000000000008001e-06 PASS

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Detailed information

Reference: -2.181951, precision: 0.0000109
Run Value Difference Relative difference Status
foss-cmake-zen4: [foss2023a-serial, foss-min] -2.181955000000000e+00 -3.999999999670933e-06 -3.669724770340306e-01 PASS
foss-cmake-zen4: [foss2023a-serial, foss-full] -2.181955000000000e+00 -3.999999999670933e-06 -3.669724770340306e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] -2.181956000000000e+00 -4.999999999810711e-06 -4.587155963129093e-01 PASS
foss-ppc: [foss2022a-serial] -2.181956000000000e+00 -4.999999999810711e-06 -4.587155963129093e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] -2.181953000000000e+00 -1.999999999835467e-06 -1.834862385170153e-01 PASS
foss-serial-min: [foss2022a-serial] -2.181954000000000e+00 -2.999999999975245e-06 -2.752293577958940e-01 PASS
foss-serial-min: [foss2023a-serial] -2.181954000000000e+00 -2.999999999975245e-06 -2.752293577958940e-01 PASS
foss-serial-full: [foss2023a-serial] -2.181954000000000e+00 -2.999999999975245e-06 -2.752293577958940e-01 PASS
foss-serial-full: [foss2023b-serial] -2.181954000000000e+00 -2.999999999975245e-06 -2.752293577958940e-01 PASS
intel_omp_autotools: [intel2022a-serial] -2.181957000000000e+00 -5.999999999950489e-06 -5.504587155917879e-01 PASS
foss-serial-min: [foss2023b-serial] -2.181954000000000e+00 -2.999999999975245e-06 -2.752293577958940e-01 PASS
intel_omp_autotools: [intel2023a-serial] -2.181957000000000e+00 -5.999999999950489e-06 -5.504587155917879e-01 PASS
foss-opt-full: [foss2023a-serial] -2.181954000000000e+00 -2.999999999975245e-06 -2.752293577958940e-01 PASS
foss-serial-debug: [foss2023a-serial] -2.181954000000000e+00 -2.999999999975245e-06 -2.752293577958940e-01 PASS
foss_cmake: [foss2022a-serial, foss-min] -2.181954000000000e+00 -2.999999999975245e-06 -2.752293577958940e-01 PASS
intel-serial: [intel2023a-serial] -2.181954000000000e+00 -2.999999999975245e-06 -2.752293577958940e-01 PASS
foss_cmake: [foss2022a-serial, foss-full] -2.181954000000000e+00 -2.999999999975245e-06 -2.752293577958940e-01 PASS
foss-omp-full: [foss2023a-serial] -2.181954000000000e+00 -2.999999999975245e-06 -2.752293577958940e-01 PASS
intel_mpi_autotools: [intel2023a-mpi] -2.181955000000000e+00 -3.999999999670933e-06 -3.669724770340306e-01 PASS
foss-mpi-full: [foss2023a-mpi] -2.181961000000000e+00 -9.999999999621423e-06 -9.174311926258185e-01 PASS
foss-mpi-opt-full: [foss2023a-mpi] -2.181961000000000e+00 -9.999999999621423e-06 -9.174311926258185e-01 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] -2.181961000000000e+00 -9.999999999621423e-06 -9.174311926258185e-01 PASS
foss-mpi-debug: [foss2023a-mpi] -2.181961000000000e+00 -9.999999999621423e-06 -9.174311926258185e-01 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] -2.181961000000000e+00 -9.999999999621423e-06 -9.174311926258185e-01 PASS
foss-mpi-min: [foss2022a-mpi] -2.181950000000000e+00 1.000000000139778e-06 9.174311927887871e-02 PASS
foss-mpi-min: [foss2023a-mpi] -2.181950000000000e+00 1.000000000139778e-06 9.174311927887871e-02 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] -2.181950000000000e+00 1.000000000139778e-06 9.174311927887871e-02 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] -2.181950000000000e+00 1.000000000139778e-06 9.174311927887871e-02 PASS
foss-mpi-omp-full: [foss2023a-mpi] -2.181955000000000e+00 -3.999999999670933e-06 -3.669724770340306e-01 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] -2.181955000000000e+00 -3.999999999670933e-06 -3.669724770340306e-01 PASS
valgrind: [foss2023a-serial] -2.181953000000000e+00 -1.999999999835467e-06 -1.834862385170153e-01 PASS
cuda-serial: [foss2022a-cuda-mpi] -2.181945000000000e+00 6.000000000394579e-06 5.504587156325301e-01 PASS
cuda-mpi-omp: [foss2022a-cuda-mpi] -2.181954000000000e+00 -2.999999999975245e-06 -2.752293577958940e-01 PASS