Match comparison for External energy (match type 26862)

Commits > Commit b7dcc99023940be2b83de00317ffa33e598f3f55 > Input 10-vdw_d3_dna.02-gs_d3.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-8.194568874000000e+02 4.100000000000000e-07 -8.194568873646665e+02 1.746108165731130e-08 -8.194568873950000e+02 3.500002776490874e-08 PASS

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Detailed information

Reference: -819.4568874, precision: 0.00000041
Run Value Difference Relative difference Status
foss_cmake: [foss2022a-serial, foss-min] -8.194568873600000e+02 4.000003173132427e-08 9.756105300322993e-02 PASS
foss_cmake: [foss2022a-serial, foss-full] -8.194568873600000e+02 4.000003173132427e-08 9.756105300322993e-02 PASS
foss_min_autotools: [foss2022a-serial] -8.194568873600000e+02 4.000003173132427e-08 9.756105300322993e-02 PASS
foss_min_autotools: [foss2023a-serial] -8.194568873600000e+02 4.000003173132427e-08 9.756105300322993e-02 PASS
foss_min_autotools: [foss2023b-serial] -8.194568873600000e+02 4.000003173132427e-08 9.756105300322993e-02 PASS
foss_autotools: [foss2022a-serial] -8.194568873600000e+02 4.000003173132427e-08 9.756105300322993e-02 PASS
foss_opt_autotools: [foss2023a-serial] -8.194568873600000e+02 4.000003173132427e-08 9.756105300322993e-02 PASS
foss_autotools: [foss2023b-serial] -8.194568873600000e+02 4.000003173132427e-08 9.756105300322993e-02 PASS
intel_autotools: [intel2023a-serial] -8.194568873600000e+02 4.000003173132427e-08 9.756105300322993e-02 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] -8.194568873600000e+02 4.000003173132427e-08 9.756105300322993e-02 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] -8.194568873600000e+02 4.000003173132427e-08 9.756105300322993e-02 PASS
foss_mpi_min_autotools: [foss2022a-mpi] -8.194568873600000e+02 4.000003173132427e-08 9.756105300322993e-02 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] -8.194568873600000e+02 4.000003173132427e-08 9.756105300322993e-02 PASS
foss_mpi_min_autotools: [foss2023a-mpi] -8.194568873600000e+02 4.000003173132427e-08 9.756105300322993e-02 PASS
foss_autotools: [foss2023a-serial] -8.194568873600000e+02 4.000003173132427e-08 9.756105300322993e-02 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] -8.194568873600000e+02 4.000003173132427e-08 9.756105300322993e-02 PASS
foss_omp_autotools: [foss2023a-serial] -8.194568873600000e+02 4.000003173132427e-08 9.756105300322993e-02 PASS
intel_omp_autotools: [intel2023a-serial] -8.194568873600000e+02 4.000003173132427e-08 9.756105300322993e-02 PASS
foss_mpi_autotools: [foss2023a-mpi] -8.194568873600000e+02 4.000003173132427e-08 9.756105300322993e-02 PASS
intel_omp_autotools: [intel2022a-serial] -8.194568873600000e+02 4.000003173132427e-08 9.756105300322993e-02 PASS
foss_mpi_autotools: [foss2022a-mpi] -8.194568873600000e+02 4.000003173132427e-08 9.756105300322993e-02 PASS
foss_mpi_opt_autotools: [foss2023a-mpi] -8.194568873600000e+02 4.000003173132427e-08 9.756105300322993e-02 PASS
foss_debug_autotools: [foss2023a-serial] -8.194568873600000e+02 4.000003173132427e-08 9.756105300322993e-02 PASS
foss_ppc_autotools: [foss2022a-serial] -8.194568873600000e+02 4.000003173132427e-08 9.756105300322993e-02 PASS
foss_mpi_debug_autotools: [foss2023a-mpi] -8.194568873600000e+02 4.000003173132427e-08 9.756105300322993e-02 PASS
intel_mpi_autotools: [intel2023a-mpi] -8.194568873600000e+02 4.000003173132427e-08 9.756105300322993e-02 PASS
foss_mpi_omp_autotools: [foss2023a-mpi] -8.194568873600000e+02 4.000003173132427e-08 9.756105300322993e-02 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] -8.194568873600000e+02 4.000003173132427e-08 9.756105300322993e-02 PASS
foss_cuda_autotools: [foss2022a-cuda-mpi] -8.194568874300001e+02 -3.000002379849320e-08 -7.317078975242244e-02 PASS
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] -8.194568874300001e+02 -3.000002379849320e-08 -7.317078975242244e-02 PASS