Match comparison for Exchange energy (match type 26859)

Commits > Commit 4ba99df89cd19114311b0fcb367f44d4f4e26fb8 > Input 10-vdw_d3_dna.02-gs_d3.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-7.459613532500001e+01 1.500000000000000e-07 -7.459613538038462e+01 6.802040267224312e-08 -7.459613533000001e+01 1.000000011686097e-07 PASS
Checks do not indicate problems with this match.
Loading plot...
Get updated match line Get updated match line with fixed reference

Detailed information

Reference: -74.596135325, precision: 0.00000015
Run Value Difference Relative difference Status
foss-ppc: [foss2022a-serial] -7.459613541000000e+01 -8.499999637479050e-08 -5.666666424986033e-01 PASS
foss-cmake-zen4: [foss2023a-serial, ci-foss-full] -7.459613541000000e+01 -8.499999637479050e-08 -5.666666424986033e-01 PASS
foss-cmake-zen4: [foss2023a-serial, ci-foss-min] -7.459613541000000e+01 -8.499999637479050e-08 -5.666666424986033e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, ci-foss-full-mpi] -7.459613541000000e+01 -8.499999637479050e-08 -5.666666424986033e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, ci-foss-min-mpi] -7.459613541000000e+01 -8.499999637479050e-08 -5.666666424986033e-01 PASS
foss-serial-full: [foss2023a-serial] -7.459613523000000e+01 9.500000430762157e-08 6.333333620508105e-01 PASS
intel_omp_autotools: [intel2022a-serial] -7.459613541000000e+01 -8.499999637479050e-08 -5.666666424986033e-01 PASS
intel_omp_autotools: [intel2023a-serial] -7.459613542000000e+01 -9.499999009676685e-08 -6.333332673117791e-01 PASS
foss-serial-debug: [foss2023a-serial] -7.459613523000000e+01 9.500000430762157e-08 6.333333620508105e-01 PASS
foss-serial-full: [foss2023b-serial] -7.459613523000000e+01 9.500000430762157e-08 6.333333620508105e-01 PASS
foss-opt-full: [foss2023a-serial] -7.459613523000000e+01 9.500000430762157e-08 6.333333620508105e-01 PASS
intel_mpi_autotools: [intel2023a-mpi] -7.459613541000000e+01 -8.499999637479050e-08 -5.666666424986033e-01 PASS
intel-serial: [intel2023a-serial] -7.459613541000000e+01 -8.499999637479050e-08 -5.666666424986033e-01 PASS
foss-omp-full: [foss2023a-serial] -7.459613541000000e+01 -8.499999637479050e-08 -5.666666424986033e-01 PASS
foss-mpi-opt-full: [foss2023a-mpi] -7.459613541000000e+01 -8.499999637479050e-08 -5.666666424986033e-01 PASS
foss-mpi-full: [foss2023a-mpi] -7.459613541000000e+01 -8.499999637479050e-08 -5.666666424986033e-01 PASS
foss-mpi-debug: [foss2023a-mpi] -7.459613541000000e+01 -8.499999637479050e-08 -5.666666424986033e-01 PASS
foss-mpi-omp-full: [foss2023a-mpi] -7.459613541000000e+01 -8.499999637479050e-08 -5.666666424986033e-01 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] -7.459613541000000e+01 -8.499999637479050e-08 -5.666666424986033e-01 PASS
foss-serial-min: [foss2023a-serial] -7.459613543000000e+01 -1.049999980295979e-07 -6.999999868639861e-01 PASS
foss-serial-min: [foss2023b-serial] -7.459613543000000e+01 -1.049999980295979e-07 -6.999999868639861e-01 PASS
foss-serial-min: [foss2022a-serial] -7.459613543000000e+01 -1.049999980295979e-07 -6.999999868639861e-01 PASS
foss-mpi-min: [foss2023a-mpi] -7.459613541000000e+01 -8.499999637479050e-08 -5.666666424986033e-01 PASS
foss-mpi-min: [foss2022a-mpi] -7.459613541000000e+01 -8.499999637479050e-08 -5.666666424986033e-01 PASS
cuda-serial: [foss2022a-cuda-mpi] -7.459613539999999e+01 -7.499998844195943e-08 -4.999999229463962e-01 PASS
cuda-mpi-omp: [foss2022a-cuda-mpi] -7.459613530000000e+01 2.500000562122295e-08 1.666667041414864e-01 PASS