Match comparison for z (C4) (t=400 au) (match type 26053)
Commits >
Commit f1dbe11076ccb3bb542605fe66566061d8720041 >
Input 11-dftbplus_ehrenfest.01-benzene.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -1.325015210000000e+00 | 1.000000000000000e-04 | -1.325022533299304e+00 | 9.420554752102651e-15 | -1.325022533299297e+00 | 1.942890293094024e-14 | PASS |
Checks for this match
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Detailed information
Reference: -1.32501521, precision: 0.0001| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_ppc | -1.325022533299278e+00 | -7.323299277661732e-06 | -7.323299277661732e-02 | PASS |
| cmake_foss_2022a_full_serial | -1.325022533299309e+00 | -7.323299308747977e-06 | -7.323299308747977e-02 | PASS |
| cmake_foss_2022a_full_mpi | -1.325022533299309e+00 | -7.323299308747977e-06 | -7.323299308747977e-02 | PASS |
| spack_foss-2022a_serial | -1.325022533299309e+00 | -7.323299308747977e-06 | -7.323299308747977e-02 | PASS |
| spack_foss-2023a_serial | -1.325022533299309e+00 | -7.323299308747977e-06 | -7.323299308747977e-02 | PASS |
| spack_foss-2022a_cuda_serial | -1.325022533299299e+00 | -7.323299298533925e-06 | -7.323299298533925e-02 | PASS |
| spack_foss-2023a_serial_opt | -1.325022533299309e+00 | -7.323299308747977e-06 | -7.323299308747977e-02 | PASS |
| spack_foss-2023b_serial | -1.325022533299309e+00 | -7.323299308747977e-06 | -7.323299308747977e-02 | PASS |
| spack_foss-2023a_serial_omp | -1.325022533299301e+00 | -7.323299300532327e-06 | -7.323299300532327e-02 | PASS |
| spack_intel-2023a_serial | -1.325022533299317e+00 | -7.323299316519538e-06 | -7.323299316519538e-02 | PASS |
| spack_intel-2022a_serial_omp | -1.325022533299300e+00 | -7.323299299644148e-06 | -7.323299299644148e-02 | PASS |
| spack_intel-2023a_serial_omp | -1.325022533299300e+00 | -7.323299299644148e-06 | -7.323299299644148e-02 | PASS |