Match comparison for External energy (match type 12971)
Commits >
Commit 16a288d93f4684890591c6dab8ffeadb82c84e9a >
Input 03-sodium_chain.03-ground_state_disp.inp
General information
Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
8.030990610000000e+00 | 4.020000000000000e-07 | 8.030990974666668e+00 | 8.459051810219345e-09 | 8.030990965000001e+00 | 1.500000035292715e-08 | PASS |
Checks for this match
- GPU builders have different values.
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: 8.03099061, precision: 0.000000402Run | Value | Difference | Relative difference | Status |
foss_cmake: [foss2022a-serial, foss-min] | 8.030990980000000e+00 | 3.700000004158710e-07 | 9.203980109847537e-01 | PASS |
foss_min_autotools: [foss2022a-serial] | 8.030990980000000e+00 | 3.700000004158710e-07 | 9.203980109847537e-01 | PASS |
foss_cmake: [foss2022a-serial, foss-full] | 8.030990980000000e+00 | 3.700000004158710e-07 | 9.203980109847537e-01 | PASS |
foss_min_autotools: [foss2023a-serial] | 8.030990980000000e+00 | 3.700000004158710e-07 | 9.203980109847537e-01 | PASS |
foss_min_autotools: [foss2023b-serial] | 8.030990980000000e+00 | 3.700000004158710e-07 | 9.203980109847537e-01 | PASS |
foss_opt_autotools: [foss2023a-serial] | 8.030990980000000e+00 | 3.700000004158710e-07 | 9.203980109847537e-01 | PASS |
foss_autotools: [foss2022a-serial] | 8.030990980000000e+00 | 3.700000004158710e-07 | 9.203980109847537e-01 | PASS |
foss_autotools: [foss2023b-serial] | 8.030990980000000e+00 | 3.700000004158710e-07 | 9.203980109847537e-01 | PASS |
intel_autotools: [intel2023a-serial] | 8.030990960000000e+00 | 3.500000005374204e-07 | 8.706467675060209e-01 | PASS |
foss_autotools: [foss2023a-serial] | 8.030990980000000e+00 | 3.700000004158710e-07 | 9.203980109847537e-01 | PASS |
foss_cmake: [foss2022a-mpi, foss-min-mpi] | 8.030990980000000e+00 | 3.700000004158710e-07 | 9.203980109847537e-01 | PASS |
foss_cmake: [foss2023a-mpi, foss-min-mpi] | 8.030990980000000e+00 | 3.700000004158710e-07 | 9.203980109847537e-01 | PASS |
foss_mpi_min_autotools: [foss2022a-mpi] | 8.030990980000000e+00 | 3.700000004158710e-07 | 9.203980109847537e-01 | PASS |
foss_mpi_min_autotools: [foss2023a-mpi] | 8.030990980000000e+00 | 3.700000004158710e-07 | 9.203980109847537e-01 | PASS |
foss_cmake: [foss2022a-mpi, foss-full-mpi] | 8.030990980000000e+00 | 3.700000004158710e-07 | 9.203980109847537e-01 | PASS |
foss_cmake: [foss2023a-mpi, foss-full-mpi] | 8.030990980000000e+00 | 3.700000004158710e-07 | 9.203980109847537e-01 | PASS |
foss_debug_autotools: [foss2023a-serial] | 8.030990980000000e+00 | 3.700000004158710e-07 | 9.203980109847537e-01 | PASS |
foss_omp_autotools: [foss2023a-serial] | 8.030990970000000e+00 | 3.599999995884673e-07 | 8.955223870359882e-01 | PASS |
foss_mpi_opt_autotools: [foss2023a-mpi] | 8.030990980000000e+00 | 3.700000004158710e-07 | 9.203980109847537e-01 | PASS |
intel_omp_autotools: [intel2022a-serial] | 8.030990970000000e+00 | 3.599999995884673e-07 | 8.955223870359882e-01 | PASS |
intel_omp_autotools: [intel2023a-serial] | 8.030990970000000e+00 | 3.599999995884673e-07 | 8.955223870359882e-01 | PASS |
foss_ppc_autotools: [foss2022a-serial] | 8.030990960000000e+00 | 3.500000005374204e-07 | 8.706467675060209e-01 | PASS |
foss_mpi_autotools: [foss2022a-mpi] | 8.030990980000000e+00 | 3.700000004158710e-07 | 9.203980109847537e-01 | PASS |
foss_mpi_autotools: [foss2023a-mpi] | 8.030990980000000e+00 | 3.700000004158710e-07 | 9.203980109847537e-01 | PASS |
foss_mpi_debug_autotools: [foss2023a-mpi] | 8.030990980000000e+00 | 3.700000004158710e-07 | 9.203980109847537e-01 | PASS |
intel_mpi_autotools: [intel2023a-mpi] | 8.030990960000000e+00 | 3.500000005374204e-07 | 8.706467675060209e-01 | PASS |
foss_mpi_omp_autotools: [foss2023a-mpi] | 8.030990970000000e+00 | 3.599999995884673e-07 | 8.955223870359882e-01 | PASS |
intel_mpi_omp_autotools: [intel2022a-mpi] | 8.030990970000000e+00 | 3.599999995884673e-07 | 8.955223870359882e-01 | PASS |
foss_cuda_autotools: [foss2022a-cuda-mpi] | 8.030990950000000e+00 | 3.399999997100167e-07 | 8.457711435572555e-01 | PASS |
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | 8.030990960000000e+00 | 3.500000005374204e-07 | 8.706467675060209e-01 | PASS |