Match Total energy
Commits >
Commit db5a37a45dcf968be97880dd1f5766f32ce63f3a >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] >
Input 14-fullerene_unpacked.01-gs.inp
Value | Reference | Precision | Status |
-3.184216784300000e+02 | -3.184216894050000e+02 | 7.430000000000000e-05 | PASS |
Command: GREPFIELD(static/info, 'Total =', 3)