Match comparison for Total energy (match type 26854)

Commits > Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc > Input 10-vdw_d3_dna.02-gs_d3.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-3.028060295050000e+02 1.810000000000000e-07 -3.028060296311764e+02 1.063226068760473e-07 -3.028060295050000e+02 1.649999887831655e-07 PASS

Checks for this match

  • MPI builders have different values.
  • GPU builders have different values.
    • Intel® builders have different values.
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Detailed information

Reference: -302.806029505, precision: 0.000000181
Run Value Difference Relative difference Status
intel-serial: [intel2023a-serial] -3.028060296700000e+02 -1.649999603614560e-07 -9.116019909472709e-01 PASS
foss-serial: [foss2023a-serial] -3.028060296700000e+02 -1.649999603614560e-07 -9.116019909472709e-01 PASS
foss-serial-debug: [foss2023a-serial] -3.028060296700000e+02 -1.649999603614560e-07 -9.116019909472709e-01 PASS
intel-min-parallel: [intel2022a-mpi] -3.028060296700000e+02 -1.649999603614560e-07 -9.116019909472709e-01 PASS
ppc: [foss2023a-serial] -3.028060296700000e+02 -1.649999603614560e-07 -9.116019909472709e-01 PASS
autotools_foss_mpi_omp: [foss2023a-mpi] -3.028060296700000e+02 -1.649999603614560e-07 -9.116019909472709e-01 PASS
foss-parallel-debug: [foss2023a-mpi] -3.028060296700000e+02 -1.649999603614560e-07 -9.116019909472709e-01 PASS
intel-parallel: [intel2023a-mpi] -3.028060296700000e+02 -1.649999603614560e-07 -9.116019909472709e-01 PASS
foss-parallel: [foss2023a-mpi] -3.028060296700000e+02 -1.649999603614560e-07 -9.116019909472709e-01 PASS
foss-min-parallel: [foss2023b-mpi] -3.028060296700000e+02 -1.649999603614560e-07 -9.116019909472709e-01 PASS
autotools_intel_mpi_omp: [intel2023a-mpi] -3.028060296700000e+02 -1.649999603614560e-07 -9.116019909472709e-01 PASS
address-sanitizer: [foss2023a-serial, ci-foss-full] -3.028060296700000e+02 -1.649999603614560e-07 -9.116019909472709e-01 PASS
foss-min-parallel: [foss2022a-mpi] -3.028060296700000e+02 -1.649999603614560e-07 -9.116019909472709e-01 PASS
intel-serial-debug: [intel2023a-serial] -3.028060296700000e+02 -1.649999603614560e-07 -9.116019909472709e-01 PASS
intel-parallel-debug: [intel2023a-mpi] -3.028060296700000e+02 -1.649999603614560e-07 -9.116019909472709e-01 PASS
cuda: [foss2022a-cuda-mpi, ci-foss-full-cuda] -3.028060293400000e+02 1.650000172048749e-07 9.116023049993088e-01 PASS
cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda] -3.028060293400000e+02 1.650000172048749e-07 9.116023049993088e-01 PASS