Match comparison for Hartree energy (match type 30494)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 3.988936987400000e+03 | 2.030000000000000e-05 | 3.988936997982353e+03 | 1.155181498556553e-05 | 3.988936982095000e+03 | 2.158500001314678e-05 | FAIL |
Checks for this match
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Detailed information
Reference: 3988.9369874000004, precision: 0.0000203| Run | Value | Difference | Relative difference | Status |
| intel-serial: [intel2023a-serial] | 3.988937002310000e+03 | 1.490999966335949e-05 | 7.344827420374131e-01 | PASS |
| foss-serial: [foss2023a-serial] | 3.988936974010000e+03 | -1.339000027655857e-05 | -6.596059249536240e-01 | PASS |
| foss-serial-debug: [foss2023a-serial] | 3.988936999680000e+03 | 1.227999973707483e-05 | 6.049260954224055e-01 | PASS |
| intel-min-parallel: [intel2022a-mpi] | 3.988937003560000e+03 | 1.615999963178183e-05 | 7.960590951616665e-01 | PASS |
| ppc: [foss2023a-serial] | 3.988937003600000e+03 | 1.619999966351315e-05 | 7.980295400745396e-01 | PASS |
| autotools_foss_mpi_omp: [foss2023a-mpi] | 3.988937003440000e+03 | 1.603999953658786e-05 | 7.901477604230471e-01 | PASS |
| foss-parallel-debug: [foss2023a-mpi] | 3.988936999730000e+03 | 1.232999966305215e-05 | 6.073891459631601e-01 | PASS |
| intel-parallel: [intel2023a-mpi] | 3.988937000320000e+03 | 1.291999979002867e-05 | 6.364531916270281e-01 | PASS |
| foss-parallel: [foss2023a-mpi] | 3.988937002180000e+03 | 1.477999967391952e-05 | 7.280788016709123e-01 | PASS |
| foss-min-parallel: [foss2023b-mpi] | 3.988937003680000e+03 | 1.627999972697580e-05 | 8.019704299002859e-01 | PASS |
| autotools_intel_mpi_omp: [intel2023a-mpi] | 3.988937003620000e+03 | 1.621999945200514e-05 | 7.990147513303025e-01 | PASS |
| address-sanitizer: [foss2023a-serial, ci-foss-full] | 3.988936999680000e+03 | 1.227999973707483e-05 | 6.049260954224055e-01 | PASS |
| foss-min-parallel: [foss2022a-mpi] | 3.988937003280000e+03 | 1.587999986440991e-05 | 7.822660031729021e-01 | PASS |
| intel-serial-debug: [intel2023a-serial] | 3.988937002310000e+03 | 1.490999966335949e-05 | 7.344827420374131e-01 | PASS |
| intel-parallel-debug: [intel2023a-mpi] | 3.988937000320000e+03 | 1.291999979002867e-05 | 6.364531916270281e-01 | PASS |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-cuda] | 3.988936960510000e+03 | -2.689000029931776e-05 | -1.324630556616639e+00 | FAIL |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda] | 3.988937003470000e+03 | 1.606999967407319e-05 | 7.916255997080388e-01 | PASS |