Match Total energy
Commits >
Commit 045d20dc05e1b42e239243cb04e8ce4d1aad770d >
Run cuda-serial: [foss2022a-cuda-mpi] >
Input 31-acetylene_b3lyp.01-gs.inp
| Value | Reference | Precision | Status |
| -1.333939330000000e+01 | -1.333939704000000e+01 | 4.070000000000000e-07 | FAIL |
Command: GREPFIELD(static/info, 'Total =', 3)