Match comparison for Hartree energy (match type 26857)

Commits > Commit 6dda27ed08cd9fd2b2f861e6109ead2bd6d3cd56 > Input 10-vdw_d3_dna.02-gs_d3.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
3.356150013750000e+02 1.700000000000000e-07 3.356150015093333e+02 7.732757643979725e-08 3.356150013750000e+02 1.549999808503344e-07 PASS

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Detailed information

Reference: 335.615001375, precision: 0.00000017
Run Value Difference Relative difference Status
foss_cmake: [foss2022a-serial, foss-min] 3.356150015300000e+02 1.549999524286250e-07 9.117644260507352e-01 PASS
foss_mpi_min_autotools: [foss2022a-mpi] 3.356150015300000e+02 1.549999524286250e-07 9.117644260507352e-01 PASS
foss_min_autotools: [foss2022a-serial] 3.356150015300000e+02 1.549999524286250e-07 9.117644260507352e-01 PASS
foss_cmake: [foss2022a-serial, foss-full] 3.356150015300000e+02 1.549999524286250e-07 9.117644260507352e-01 PASS
foss_min_autotools: [foss2023a-serial] 3.356150015300000e+02 1.549999524286250e-07 9.117644260507352e-01 PASS
foss_min_autotools: [foss2023b-serial] 3.356150015300000e+02 1.549999524286250e-07 9.117644260507352e-01 PASS
foss_autotools: [foss2022a-serial] 3.356150015300000e+02 1.549999524286250e-07 9.117644260507352e-01 PASS
foss_autotools: [foss2023a-serial] 3.356150015300000e+02 1.549999524286250e-07 9.117644260507352e-01 PASS
foss_opt_autotools: [foss2023a-serial] 3.356150015300000e+02 1.549999524286250e-07 9.117644260507352e-01 PASS
intel_autotools: [intel2023a-serial] 3.356150015300000e+02 1.549999524286250e-07 9.117644260507352e-01 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] 3.356150015300000e+02 1.549999524286250e-07 9.117644260507352e-01 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] 3.356150015300000e+02 1.549999524286250e-07 9.117644260507352e-01 PASS
foss_mpi_min_autotools: [foss2023a-mpi] 3.356150015300000e+02 1.549999524286250e-07 9.117644260507352e-01 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] 3.356150015300000e+02 1.549999524286250e-07 9.117644260507352e-01 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] 3.356150015300000e+02 1.549999524286250e-07 9.117644260507352e-01 PASS
foss_autotools: [foss2023b-serial] 3.356150015300000e+02 1.549999524286250e-07 9.117644260507352e-01 PASS
foss_omp_autotools: [foss2023a-serial] 3.356150015300000e+02 1.549999524286250e-07 9.117644260507352e-01 PASS
foss_mpi_opt_autotools: [foss2023a-mpi] 3.356150015300000e+02 1.549999524286250e-07 9.117644260507352e-01 PASS
foss_mpi_autotools: [foss2022a-mpi] 3.356150015300000e+02 1.549999524286250e-07 9.117644260507352e-01 PASS
foss_mpi_autotools: [foss2023a-mpi] 3.356150015300000e+02 1.549999524286250e-07 9.117644260507352e-01 PASS
intel_omp_autotools: [intel2022a-serial] 3.356150015300000e+02 1.549999524286250e-07 9.117644260507352e-01 PASS
intel_omp_autotools: [intel2023a-serial] 3.356150015300000e+02 1.549999524286250e-07 9.117644260507352e-01 PASS
foss_ppc_autotools: [foss2022a-serial] 3.356150015300000e+02 1.549999524286250e-07 9.117644260507352e-01 PASS
foss_debug_autotools: [foss2023a-serial] 3.356150015300000e+02 1.549999524286250e-07 9.117644260507352e-01 PASS
foss_cuda_autotools: [foss2022a-cuda-mpi] 3.356150012200000e+02 -1.550000092720438e-07 -9.117647604237873e-01 PASS
intel_mpi_autotools: [intel2023a-mpi] 3.356150015300000e+02 1.549999524286250e-07 9.117644260507352e-01 PASS
foss_mpi_debug_autotools: [foss2023a-mpi] 3.356150015300000e+02 1.549999524286250e-07 9.117644260507352e-01 PASS
foss_mpi_omp_autotools: [foss2023a-mpi] 3.356150015300000e+02 1.549999524286250e-07 9.117644260507352e-01 PASS
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] 3.356150012200000e+02 -1.550000092720438e-07 -9.117647604237873e-01 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] 3.356150015300000e+02 1.549999524286250e-07 9.117644260507352e-01 PASS