Match comparison for Partial charge 45 (match type 26813)

Commits > Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc > Input 10-vdw_d3_dna.01-gs_novdw.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
1.007000000000000e+00 5.030000000000000e-03 1.006000000000000e+00 0.000000000000000e+00 1.006000000000000e+00 0.000000000000000e+00 PASS

Checks for this match

  • Mid point of values far away from reference. Recentering may be necessary.
Loading plot...
Get updated match line Get updated match line with fixed reference

Detailed information

Reference: 1.007, precision: 0.00503
Run Value Difference Relative difference Status
intel-serial: [intel2023a-serial] 1.006000000000000e+00 -9.999999999998899e-04 -1.988071570576322e-01 PASS
foss-serial: [foss2023a-serial] 1.006000000000000e+00 -9.999999999998899e-04 -1.988071570576322e-01 PASS
foss-serial-debug: [foss2023a-serial] 1.006000000000000e+00 -9.999999999998899e-04 -1.988071570576322e-01 PASS
intel-min-parallel: [intel2022a-mpi] 1.006000000000000e+00 -9.999999999998899e-04 -1.988071570576322e-01 PASS
ppc: [foss2023a-serial] 1.006000000000000e+00 -9.999999999998899e-04 -1.988071570576322e-01 PASS
autotools_foss_mpi_omp: [foss2023a-mpi] 1.006000000000000e+00 -9.999999999998899e-04 -1.988071570576322e-01 PASS
foss-parallel-debug: [foss2023a-mpi] 1.006000000000000e+00 -9.999999999998899e-04 -1.988071570576322e-01 PASS
intel-parallel: [intel2023a-mpi] 1.006000000000000e+00 -9.999999999998899e-04 -1.988071570576322e-01 PASS
foss-parallel: [foss2023a-mpi] 1.006000000000000e+00 -9.999999999998899e-04 -1.988071570576322e-01 PASS
foss-min-parallel: [foss2023b-mpi] 1.006000000000000e+00 -9.999999999998899e-04 -1.988071570576322e-01 PASS
autotools_intel_mpi_omp: [intel2023a-mpi] 1.006000000000000e+00 -9.999999999998899e-04 -1.988071570576322e-01 PASS
address-sanitizer: [foss2023a-serial, ci-foss-full] 1.006000000000000e+00 -9.999999999998899e-04 -1.988071570576322e-01 PASS
foss-min-parallel: [foss2022a-mpi] 1.006000000000000e+00 -9.999999999998899e-04 -1.988071570576322e-01 PASS
intel-serial-debug: [intel2023a-serial] 1.006000000000000e+00 -9.999999999998899e-04 -1.988071570576322e-01 PASS
intel-parallel-debug: [intel2023a-mpi] 1.006000000000000e+00 -9.999999999998899e-04 -1.988071570576322e-01 PASS
cuda: [foss2022a-cuda-mpi, ci-foss-full-cuda] 1.006000000000000e+00 -9.999999999998899e-04 -1.988071570576322e-01 PASS
cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda] 1.006000000000000e+00 -9.999999999998899e-04 -1.988071570576322e-01 PASS