Match comparison for y (C4) (t=400 au) (match type 26047)
Commits >
Commit 16a288d93f4684890591c6dab8ffeadb82c84e9a >
Input 11-dftbplus_ehrenfest.01-benzene.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -4.172809800000000e-01 | 1.000000000000000e-04 | -4.172861028743493e-01 | 8.586233928998517e-15 | -4.172861028743462e-01 | 1.301736496372996e-14 | PASS |
Checks for this match
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Detailed information
Reference: -0.41728098, precision: 0.0001| Run | Value | Difference | Relative difference | Status |
| foss_cmake: [foss2022a-serial, foss-full] | -4.172861028743531e-01 | -5.122874353058471e-06 | -5.122874353058471e-02 | PASS |
| foss_opt_autotools: [foss2023a-serial] | -4.172861028743531e-01 | -5.122874353058471e-06 | -5.122874353058471e-02 | PASS |
| foss_autotools: [foss2022a-serial] | -4.172861028743531e-01 | -5.122874353058471e-06 | -5.122874353058471e-02 | PASS |
| foss_autotools: [foss2023b-serial] | -4.172861028743531e-01 | -5.122874353058471e-06 | -5.122874353058471e-02 | PASS |
| intel_autotools: [intel2023a-serial] | -4.172861028743521e-01 | -5.122874352059270e-06 | -5.122874352059270e-02 | PASS |
| foss_autotools: [foss2023a-serial] | -4.172861028743531e-01 | -5.122874353058471e-06 | -5.122874353058471e-02 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | -4.172861028743531e-01 | -5.122874353058471e-06 | -5.122874353058471e-02 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | -4.172861028743531e-01 | -5.122874353058471e-06 | -5.122874353058471e-02 | PASS |
| foss_omp_autotools: [foss2023a-serial] | -4.172861028743562e-01 | -5.122874356167095e-06 | -5.122874356167095e-02 | PASS |
| intel_omp_autotools: [intel2022a-serial] | -4.172861028743332e-01 | -5.122874333185479e-06 | -5.122874333185479e-02 | PASS |
| intel_omp_autotools: [intel2023a-serial] | -4.172861028743332e-01 | -5.122874333185479e-06 | -5.122874333185479e-02 | PASS |
| foss_ppc_autotools: [foss2022a-serial] | -4.172861028743357e-01 | -5.122874335627969e-06 | -5.122874335627969e-02 | PASS |
| foss_cuda_autotools: [foss2022a-cuda-mpi] | -4.172861028743592e-01 | -5.122874359220209e-06 | -5.122874359220209e-02 | PASS |