Input 15-crank_nicolson.05-freeze_sae.inp

Commits > Commit d89ed1adec8f63937926022ba961c15ddb98b66b > Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -5.571938259893953e-01 -5.571938259894033e-01 4.010000000000000e-14 7.993605777301127e-15 PASS
Energy [step 5] -5.157327347418338e-01 -5.157327347418467e-01 2.780000000000000e-14 1.287858708565182e-14 PASS
Energy [step 10] -5.157327347416908e-01 -5.157327347416979e-01 3.030000000000000e-14 7.105427357601002e-15 PASS
Energy [step 15] -5.157327347416562e-01 -5.157327347416570e-01 1.950000000000000e-14 8.881784197001252e-16 PASS
Energy [step 20] -5.157327347416855e-01 -5.157327347416979e-01 4.100000000000000e-14 1.243449787580175e-14 PASS
Dipole [step 1] 4.085872265524593e-16 -7.379220068245151e-16 5.560000000000000e-15 1.146509233376974e-15 PASS
Dipole [step 5] -1.928247888208889e-01 -1.928247888208892e-01 4.590000000000000e-15 3.053113317719180e-16 PASS
Dipole [step 10] -3.545495747886673e-01 -3.545495747886674e-01 4.430000000000000e-15 1.110223024625157e-16 PASS
Dipole [step 15] -4.859689858458452e-01 -4.859689858458450e-01 2.430000000000000e-14 -1.665334536937735e-16 PASS
Dipole [step 20] -6.087120870676898e-01 -6.087120870676892e-01 6.960000000000000e-15 -5.551115123125783e-16 PASS
Compare to other inputs