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

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

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.056293727506790e+01 -1.056293727506791e+01 1.060000000000000e-13 1.065814103640150e-14 PASS
Energy [step 5] -1.040745483159455e+01 -1.040745483159455e+01 1.040000000000000e-13 0.000000000000000e+00 PASS
Energy [step 10] -1.040743417507011e+01 -1.040743417507012e+01 1.040000000000000e-13 1.421085471520200e-14 PASS
Energy [step 15] -1.040742113639585e+01 -1.040742113639586e+01 1.040000000000000e-13 7.105427357601002e-15 PASS
Energy [step 20] -1.040741451973632e+01 -1.040741451973633e+01 1.040000000000000e-13 1.421085471520200e-14 PASS
Dipole [step 1] -1.145261132023262e-15 1.780638116610150e-16 6.600000000000000e-15 -1.323324943684277e-15 PASS
Dipole [step 5] -7.295426719525313e-01 -7.295426719525250e-01 3.650000000000000e-14 -6.328271240363392e-15 PASS
Dipole [step 10] -1.337803863058586e+00 -1.337803863058600e+00 1.970000000000000e-14 1.354472090042691e-14 PASS
Dipole [step 15] -1.828601499014717e+00 -1.828601499014715e+00 1.830000000000000e-14 -1.554312234475219e-15 PASS
Dipole [step 20] -2.205209055720855e+00 -2.205209055720854e+00 2.690000000000000e-14 -1.332267629550188e-15 PASS
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