Input 10-bomd.02-td.inp

Commits > Commit 22a7b3628f7ddff53691f80b422d9224cf7a2498 > Run spack_foss-2022a_cuda_mpi_omp

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058171294269851e+01 -1.058171294371180e+01 1.110000000000000e-09 1.013292560969603e-09 PASS
Energy [step 2] -1.058156234751241e+01 -1.058156234879790e+01 1.410000000000000e-09 1.285489048541422e-09 PASS
Energy [step 3] -1.058143100023473e+01 -1.058143100171960e+01 1.630000000000000e-09 1.484874445623063e-09 PASS
Energy [step 4] -1.058131935619349e+01 -1.058131936040130e+01 4.630000000000000e-09 4.207812764889240e-09 PASS
Forces [step 1] -1.538554070055659e-01 -1.538555154672571e-01 1.190000000000000e-07 1.084616912117031e-07 PASS
Forces [step 2] -1.732298616200067e-01 -1.732297733830663e-01 9.710000000000000e-08 -8.823694036541596e-08 PASS
Forces [step 3] -1.918346851062451e-01 -1.918348057889193e-01 1.330000000000000e-07 1.206826741873002e-07 PASS
Forces [step 4] -2.092368785350337e-01 -2.092371333696214e-01 2.830000000000000e-07 2.548345877095848e-07 PASS
Compare to other inputs