Match comparison for External energy (match type 26862)

Commits > Commit 4ba99df89cd19114311b0fcb367f44d4f4e26fb8 > Input 10-vdw_d3_dna.02-gs_d3.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-8.194568794900000e+02 7.830000000000000e-06 -8.194568843292308e+02 5.111026458139326e-06 -8.194568795750000e+02 7.204999974419479e-06 PASS
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Detailed information

Reference: -819.45687949, precision: 0.00000783
Run Value Difference Relative difference Status
foss-ppc: [foss2022a-serial] -8.194568865200000e+02 -7.030000006125192e-06 -8.978288641283770e-01 PASS
foss-cmake-zen4: [foss2023a-serial, ci-foss-full] -8.194568865900000e+02 -7.099999947968172e-06 -9.067688311581319e-01 PASS
foss-cmake-zen4: [foss2023a-serial, ci-foss-min] -8.194568865900000e+02 -7.099999947968172e-06 -9.067688311581319e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, ci-foss-full-mpi] -8.194568865600000e+02 -7.070000037856516e-06 -9.029374250136036e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, ci-foss-min-mpi] -8.194568865900000e+02 -7.099999947968172e-06 -9.067688311581319e-01 PASS
foss-serial-full: [foss2023a-serial] -8.194568723700000e+02 7.119999963833834e-06 9.093231116007452e-01 PASS
intel_omp_autotools: [intel2022a-serial] -8.194568865900000e+02 -7.099999947968172e-06 -9.067688311581319e-01 PASS
intel_omp_autotools: [intel2023a-serial] -8.194568858900000e+02 -6.399999961104186e-06 -8.173690882636253e-01 PASS
foss-serial-debug: [foss2023a-serial] -8.194568723700000e+02 7.119999963833834e-06 9.093231116007452e-01 PASS
foss-serial-full: [foss2023b-serial] -8.194568723700000e+02 7.119999963833834e-06 9.093231116007452e-01 PASS
foss-opt-full: [foss2023a-serial] -8.194568723700000e+02 7.119999963833834e-06 9.093231116007452e-01 PASS
intel_mpi_autotools: [intel2023a-mpi] -8.194568865900000e+02 -7.099999947968172e-06 -9.067688311581319e-01 PASS
intel-serial: [intel2023a-serial] -8.194568865900000e+02 -7.099999947968172e-06 -9.067688311581319e-01 PASS
foss-omp-full: [foss2023a-serial] -8.194568865900000e+02 -7.099999947968172e-06 -9.067688311581319e-01 PASS
foss-mpi-opt-full: [foss2023a-mpi] -8.194568866100000e+02 -7.119999963833834e-06 -9.093231116007452e-01 PASS
foss-mpi-full: [foss2023a-mpi] -8.194568866100000e+02 -7.119999963833834e-06 -9.093231116007452e-01 PASS
foss-mpi-debug: [foss2023a-mpi] -8.194568866100000e+02 -7.119999963833834e-06 -9.093231116007452e-01 PASS
foss-mpi-omp-full: [foss2023a-mpi] -8.194568865900000e+02 -7.099999947968172e-06 -9.067688311581319e-01 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] -8.194568865900000e+02 -7.099999947968172e-06 -9.067688311581319e-01 PASS
foss-serial-min: [foss2023a-serial] -8.194568867800000e+02 -7.289999985005124e-06 -9.310344808435664e-01 PASS
foss-serial-min: [foss2023b-serial] -8.194568867800000e+02 -7.289999985005124e-06 -9.310344808435664e-01 PASS
foss-serial-min: [foss2022a-serial] -8.194568867800000e+02 -7.289999985005124e-06 -9.310344808435664e-01 PASS
foss-mpi-min: [foss2023a-mpi] -8.194568865900000e+02 -7.099999947968172e-06 -9.067688311581319e-01 PASS
foss-mpi-min: [foss2022a-mpi] -8.194568865900000e+02 -7.099999947968172e-06 -9.067688311581319e-01 PASS
cuda-serial: [foss2022a-cuda-mpi] -8.194568864800000e+02 -6.989999974393868e-06 -8.927203032431504e-01 PASS
cuda-mpi-omp: [foss2022a-cuda-mpi] -8.194568849700000e+02 -5.480000027091592e-06 -6.998722895391560e-01 PASS