Match comparison for z (C4) (t=400 au) (match type 26053)
Commits >
Commit 6dda27ed08cd9fd2b2f861e6109ead2bd6d3cd56 >
Input 11-dftbplus_ehrenfest.01-benzene.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -1.325015210000000e+00 | 1.000000000000000e-04 | -1.325022533299302e+00 | 1.155452824686688e-14 | -1.325022533299297e+00 | 1.942890293094024e-14 | PASS |
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Detailed information
Reference: -1.32501521, precision: 0.0001| Run | Value | Difference | Relative difference | Status |
| foss_cmake: [foss2022a-serial, foss-full] | -1.325022533299309e+00 | -7.323299308747977e-06 | -7.323299308747977e-02 | PASS |
| foss_autotools: [foss2022a-serial] | -1.325022533299309e+00 | -7.323299308747977e-06 | -7.323299308747977e-02 | PASS |
| foss_autotools: [foss2023a-serial] | -1.325022533299309e+00 | -7.323299308747977e-06 | -7.323299308747977e-02 | PASS |
| foss_opt_autotools: [foss2023a-serial] | -1.325022533299309e+00 | -7.323299308747977e-06 | -7.323299308747977e-02 | PASS |
| intel_autotools: [intel2023a-serial] | -1.325022533299317e+00 | -7.323299316519538e-06 | -7.323299316519538e-02 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | -1.325022533299309e+00 | -7.323299308747977e-06 | -7.323299308747977e-02 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | -1.325022533299309e+00 | -7.323299308747977e-06 | -7.323299308747977e-02 | PASS |
| foss_autotools: [foss2023b-serial] | -1.325022533299309e+00 | -7.323299308747977e-06 | -7.323299308747977e-02 | PASS |
| foss_omp_autotools: [foss2023a-serial] | -1.325022533299278e+00 | -7.323299277661732e-06 | -7.323299277661732e-02 | PASS |
| intel_omp_autotools: [intel2022a-serial] | -1.325022533299300e+00 | -7.323299299644148e-06 | -7.323299299644148e-02 | PASS |
| intel_omp_autotools: [intel2023a-serial] | -1.325022533299300e+00 | -7.323299299644148e-06 | -7.323299299644148e-02 | PASS |
| foss_ppc_autotools: [foss2022a-serial] | -1.325022533299278e+00 | -7.323299277661732e-06 | -7.323299277661732e-02 | PASS |
| foss_cuda_autotools: [foss2022a-cuda-mpi] | -1.325022533299299e+00 | -7.323299298533925e-06 | -7.323299298533925e-02 | PASS |