Input 10-bomd.02-td.inp

Commits > Commit 2cbd57b62c972cb2ebea8f328fb20b62d521e0ac > Run spack_foss-2022a_cuda_mpi_omp

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058171294269850e+01 -1.058171294371180e+01 1.110000000000000e-09 1.013297890040121e-09 PASS
Energy [step 2] -1.058156234751241e+01 -1.058156234879790e+01 1.410000000000000e-09 1.285492601255100e-09 PASS
Energy [step 3] -1.058143100023475e+01 -1.058143100171960e+01 1.630000000000000e-09 1.484854905697830e-09 PASS
Energy [step 4] -1.058131935619349e+01 -1.058131936040130e+01 4.630000000000000e-09 4.207805659461883e-09 PASS
Forces [step 1] -1.538554070055622e-01 -1.538555154672571e-01 1.190000000000000e-07 1.084616948754391e-07 PASS
Forces [step 2] -1.732298616200136e-01 -1.732297733830663e-01 9.710000000000000e-08 -8.823694730430987e-08 PASS
Forces [step 3] -1.918346850867546e-01 -1.918348057889193e-01 1.330000000000000e-07 1.207021647353645e-07 PASS
Forces [step 4] -2.092368765673446e-01 -2.092371333696214e-01 2.830000000000000e-07 2.568022767768241e-07 PASS
Compare to other inputs