Match comparison for molecule-solvent int. energy (match type 25162)
Commits >
Commit 3874475d54e6d4931162c1a62f5667add8f8f561 >
Input 20-pcm-local-field-absorption.01-gs.inp
General information
Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
-5.000000000000000e-08 | 5.000000000000000e-10 | -4.999999999999999e-08 | 6.617444900424221e-24 | -5.000000000000000e-08 | 0.000000000000000e+00 | PASS |
Checks do not indicate problems with this match.
Loading plot...
Detailed information
Reference: -0.00000005, precision: 0.0000000005Run | Value | Difference | Relative difference | Status |
foss_cmake: [foss2022a-serial, foss-min] | -5.000000000000000e-08 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
foss_min_autotools: [foss2023b-serial] | -5.000000000000000e-08 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
foss_cmake: [foss2022a-serial, foss-full] | -5.000000000000000e-08 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
foss_min_autotools: [foss2023a-serial] | -5.000000000000000e-08 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
foss_min_autotools: [foss2022a-serial] | -5.000000000000000e-08 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
foss_autotools: [foss2023b-serial] | -5.000000000000000e-08 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
foss_opt_autotools: [foss2023a-serial] | -5.000000000000000e-08 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
foss_autotools: [foss2023a-serial] | -5.000000000000000e-08 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
foss_autotools: [foss2022a-serial] | -5.000000000000000e-08 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
foss_debug_autotools: [foss2023a-serial] | -5.000000000000000e-08 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
intel_autotools: [intel2023a-serial] | -5.000000000000000e-08 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
foss_cmake: [foss2023a-mpi, foss-min-mpi] | -5.000000000000000e-08 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
foss_mpi_min_autotools: [foss2023a-mpi] | -5.000000000000000e-08 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
foss_mpi_min_autotools: [foss2022a-mpi] | -5.000000000000000e-08 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
foss_cmake: [foss2022a-mpi, foss-full-mpi] | -5.000000000000000e-08 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
foss_cmake: [foss2023a-mpi, foss-full-mpi] | -5.000000000000000e-08 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
foss_omp_autotools: [foss2023a-serial] | -5.000000000000000e-08 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
foss_mpi_opt_autotools: [foss2023a-mpi] | -5.000000000000000e-08 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
foss_mpi_autotools: [foss2022a-mpi] | -5.000000000000000e-08 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
foss_mpi_autotools: [foss2023a-mpi] | -5.000000000000000e-08 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
foss_ppc_autotools: [foss2022a-serial] | -5.000000000000000e-08 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
intel_mpi_autotools: [intel2023a-mpi] | -5.000000000000000e-08 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
foss_cuda_autotools: [foss2022a-cuda-mpi] | -5.000000000000000e-08 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
foss_mpi_debug_autotools: [foss2023a-mpi] | -5.000000000000000e-08 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
foss_cmake: [foss2022a-mpi, foss-min-mpi] | -5.000000000000000e-08 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | -5.000000000000000e-08 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
foss_mpi_omp_autotools: [foss2023a-mpi] | -5.000000000000000e-08 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |