Input 06-caetrs.03-kick-tp1.inp

Commits > Commit 4ba99df89cd19114311b0fcb367f44d4f4e26fb8 > Run cuda-mpi-omp: [foss2022a-cuda-mpi]

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.056293727506790e+01 -1.056293727506791e+01 1.060000000000000e-13 5.329070518200751e-15 PASS
Energy [step 5] -1.040745483159453e+01 -1.040745483159455e+01 1.040000000000000e-13 1.421085471520200e-14 PASS
Energy [step 10] -1.040743417507012e+01 -1.040743417507012e+01 1.040000000000000e-13 0.000000000000000e+00 PASS
Energy [step 15] -1.040742113639585e+01 -1.040742113639586e+01 1.040000000000000e-13 1.421085471520200e-14 PASS
Energy [step 20] -1.040741451973632e+01 -1.040741451973633e+01 1.040000000000000e-13 8.881784197001252e-15 PASS
Dipole [step 1] -1.035108142862645e-16 1.780638116610150e-16 6.600000000000000e-15 -2.815746259472795e-16 PASS
Dipole [step 5] -7.295426719525302e-01 -7.295426719525250e-01 3.650000000000000e-14 -5.218048215738236e-15 PASS
Dipole [step 10] -1.337803863058591e+00 -1.337803863058600e+00 1.970000000000000e-14 8.659739592076221e-15 PASS
Dipole [step 15] -1.828601499014714e+00 -1.828601499014715e+00 1.830000000000000e-14 1.110223024625157e-15 PASS
Dipole [step 20] -2.205209055720851e+00 -2.205209055720854e+00 2.690000000000000e-14 3.108624468950438e-15 PASS
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