Input 22-multitrajectory.02-td_1.inp

Commits > Commit 57f8ca8d342504024fed98c8f4356f69f5870627 > Run cuda-mpi-omp: [foss2022a-cuda-mpi]

Matches

Name Value Reference Precision Difference Status
Replica 1 C x-pos [step 0] -1.443747566549247e+00 -1.443747600000000e+00 1.000000000000000e-05 3.345075283434085e-08 PASS
Replica 2 C x-pos [step 0] -1.419481380072513e+00 -1.419481400000000e+00 1.000000000000000e-05 1.992748721590942e-08 PASS
Replica 1 C x-pos [step 50] -1.778905683354420e+00 -1.778905600000000e+00 1.000000000000000e-05 -8.335441958884360e-08 PASS
Replica 2 C x-pos [step 50] -1.284996773779926e+00 -1.284996800000000e+00 1.000000000000000e-05 2.622007411190452e-08 PASS
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