Input 16-bomd.02-td.inp

Commits > Commit 4b6d45842a438d46c51308ffa6e74b875e60d9e9 > Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058173966626710e+01 -1.058173966727793e+01 1.110000000000000e-09 1.010834083103873e-09 PASS
Energy [step 2] -1.058158908201926e+01 -1.058158908323673e+01 1.340000000000000e-09 1.217472345160786e-09 PASS
Energy [step 3] -1.058145773725903e+01 -1.058145773976834e+01 2.760000000000000e-09 2.509304763975706e-09 PASS
Energy [step 4] -1.058134609279479e+01 -1.058134609837270e+01 6.140000000000000e-09 5.577915018761814e-09 PASS
Forces [step 1] -1.538476408166946e-01 -1.538477490161332e-01 1.190000000000000e-07 1.081994385754292e-07 PASS
Forces [step 2] -1.732218447021546e-01 -1.732217491278016e-01 1.050000000000000e-07 -9.557435295959316e-08 PASS
Forces [step 3] -1.918261822845507e-01 -1.918264519326440e-01 2.970000000000000e-07 2.696480933261913e-07 PASS
Forces [step 4] -2.092289487627368e-01 -2.092290824096458e-01 1.470000000000000e-07 1.336469090396086e-07 PASS
Compare to other inputs