Match comparison for z (C4) (t=400 au) (match type 26053)
Commits >
Commit 9cd8be12b3755ae83838647d0fe27e1f4e47031c >
Input 11-dftbplus_ehrenfest.01-benzene.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -1.325015210000000e+00 | 1.000000000000000e-04 | -1.325022533299294e+00 | 1.891405237163071e-14 | -1.325022533299289e+00 | 2.664535259100376e-14 | PASS |
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Detailed information
Reference: -1.32501521, precision: 0.0001| Run | Value | Difference | Relative difference | Status |
| foss-2022a_ppc | -1.325022533299316e+00 | -7.323299315631360e-06 | -7.323299315631360e-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 |
| eb_fosscuda-2022a | -1.325022533299293e+00 | -7.323299292538721e-06 | -7.323299292538721e-02 | PASS |
| eb_foss-2022a | -1.325022533299309e+00 | -7.323299308747977e-06 | -7.323299308747977e-02 | PASS |
| eb_foss-2022b_libxc6 | -1.325022533299309e+00 | -7.323299308747977e-06 | -7.323299308747977e-02 | PASS |
| foss-2022a_opt | -1.325022533299309e+00 | -7.323299308747977e-06 | -7.323299308747977e-02 | PASS |
| intel-2022a | -1.325022533299274e+00 | -7.323299273664929e-06 | -7.323299273664929e-02 | PASS |
| foss-2022a_omp | -1.325022533299275e+00 | -7.323299274553108e-06 | -7.323299274553108e-02 | PASS |
| intel-2022b | -1.325022533299271e+00 | -7.323299270778350e-06 | -7.323299270778350e-02 | PASS |
| intel-2022a_omp | -1.325022533299268e+00 | -7.323299267891770e-06 | -7.323299267891770e-02 | PASS |
| spack_foss-2022a_serial | -1.325022533299309e+00 | -7.323299308747977e-06 | -7.323299308747977e-02 | PASS |
| spack_foss-2022a_serial_opt | -1.325022533299309e+00 | -7.323299308747977e-06 | -7.323299308747977e-02 | PASS |
| spack_foss-2022a_serial_omp | -1.325022533299262e+00 | -7.323299262340655e-06 | -7.323299262340655e-02 | PASS |