Input 02-propagators.02-cnsparskit.inp

Commits > Commit a207e10cd726e9ee7bae9ea565d18a80e5fdcb20 > Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]

Matches

Name Value Reference Precision Difference Status
Forces [step 1] 8.537673799433643e-02 8.537673799433354e-02 1.250000000000000e-14 2.886579864025407e-15 PASS
Forces [step 20] 7.964959635257829e-02 7.964959635257580e-02 7.040000000000000e-15 2.484124017598788e-15 PASS
Energy [step 1] -1.060686608766761e+01 -1.060686608766762e+01 1.060000000000000e-13 5.329070518200751e-15 PASS
Energy [step 20] -1.060637261154880e+01 -1.060637261154880e+01 1.060000000000000e-13 1.776356839400250e-15 PASS
Multipoles [step 1] 3.669018214247366e-16 5.879834888021430e-16 4.510000000000000e-15 -2.210816673774064e-16 PASS
Multipoles [step 20] -1.265304528942163e-01 -1.265304528942195e-01 6.870000000000000e-15 3.164135620181696e-15 PASS
Compare to other inputs