Input 10-bomd.02-td.inp

Commits > Commit eddb1a976bbe1f1b2f6bb64793dd776e6572a2b5 > Run cuda-serial: [foss2022a-cuda-mpi]

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058173966828875e+01 -1.058173966727794e+01 1.110000000000000e-09 -1.010807437751282e-09 PASS
Energy [step 2] -1.058158908445418e+01 -1.058158908323670e+01 1.340000000000000e-09 -1.217483003301822e-09 PASS
Energy [step 3] -1.058145774227815e+01 -1.058145773976836e+01 2.760000000000000e-09 -2.509791485749702e-09 PASS
Energy [step 4] -1.058134610394137e+01 -1.058134609837600e+01 6.140000000000000e-09 -5.565373939475649e-09 PASS
Forces [step 1] -1.538478572155691e-01 -1.538477490161310e-01 1.190000000000000e-07 -1.081994381313400e-07 PASS
Forces [step 2] -1.732216535538745e-01 -1.732217491278353e-01 1.050000000000000e-07 9.557396077330971e-08 PASS
Forces [step 3] -1.918267217455395e-01 -1.918264519676630e-01 2.970000000000000e-07 -2.697778765103909e-07 PASS
Forces [step 4] -2.092292146952300e-01 -2.092290828484236e-01 1.480000000000000e-07 -1.318468064170908e-07 PASS
Compare to other inputs