Input 16-bomd.02-td.inp

Commits > Commit 7ddcca10159cfd3a5f031627bc95daf6cfe3e221 > 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 1.013294337326442e-09 PASS
Energy [step 2] -1.058156234751240e+01 -1.058156234879790e+01 1.410000000000000e-09 1.285496153968779e-09 PASS
Energy [step 3] -1.058143100023475e+01 -1.058143100171960e+01 1.630000000000000e-09 1.484851352984151e-09 PASS
Energy [step 4] -1.058131935619356e+01 -1.058131936040130e+01 4.630000000000000e-09 4.207738157901986e-09 PASS
Forces [step 1] -1.538554070055635e-01 -1.538555154672500e-01 1.190000000000000e-07 1.084616864654997e-07 PASS
Forces [step 2] -1.732298616200048e-01 -1.732297733830400e-01 9.710000000000000e-08 -8.823696476256693e-08 PASS
Forces [step 3] -1.918346850890214e-01 -1.918348057943300e-01 1.330000000000000e-07 1.207053085816590e-07 PASS
Forces [step 4] -2.092368767644751e-01 -2.092371340942830e-01 2.830000000000000e-07 2.573298078789588e-07 PASS
Compare to other inputs