Match comparison for z (C4) (t=400 au) (match type 26053)
Commits >
Commit 7368b0b20aad13e0ecfc3e36ba5b1a9f5c3d54b1 >
Input 11-dftbplus_ehrenfest.01-benzene.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -1.325015210000000e+00 | 1.000000000000000e-04 | -1.325022533299300e+00 | 1.103131959157367e-14 | -1.325022533299293e+00 | 1.554312234475219e-14 | PASS |
Checks for this match
- Mid point of values far away from reference. Recentering may be necessary.
Loading plot...
Detailed information
Reference: -1.32501521, precision: 0.0001| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_serial | -1.325022533299309e+00 | -7.323299308747977e-06 | -7.323299308747977e-02 | PASS |
| 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_cuda_serial | -1.325022533299299e+00 | -7.323299298533925e-06 | -7.323299298533925e-02 | PASS |
| spack_intel-2022a_serial_omp | -1.325022533299300e+00 | -7.323299299644148e-06 | -7.323299299644148e-02 | PASS |