Match comparison for External energy (match type 26862)

Commits > Commit 155f01ef7d18124a1050c3611747e8f8b44bbe31 > 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 -8.194568835143750e+02 8.768331820967809e-06 -8.194568948300000e+02 2.245999996830506e-05 FAIL

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Detailed information

Reference: -819.45687949, precision: 0.00000783
Run Value Difference Relative difference Status
foss-cmake-zen4: [foss2023a-serial, foss-min] -8.194568865799999e+02 -7.089999940035341e-06 -9.054916909368252e-01 PASS
foss-cmake-zen4: [foss2023a-serial, foss-full] -8.194568865799999e+02 -7.089999940035341e-06 -9.054916909368252e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] -8.194568865500000e+02 -7.060000029923685e-06 -9.016602847922970e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] -8.194568862600000e+02 -6.770000027245260e-06 -8.646232474131877e-01 PASS
foss-serial-min: [foss2022a-serial] -8.194568723700000e+02 7.119999963833834e-06 9.093231116007452e-01 PASS
foss_cmake: [foss2022a-serial, foss-min] -8.194568723700000e+02 7.119999963833834e-06 9.093231116007452e-01 PASS
foss-serial-min: [foss2023b-serial] -8.194568723700000e+02 7.119999963833834e-06 9.093231116007452e-01 PASS
foss_cmake: [foss2022a-serial, foss-full] -8.194568723700000e+02 7.119999963833834e-06 9.093231116007452e-01 PASS
foss-serial-min: [foss2023a-serial] -8.194568723700000e+02 7.119999963833834e-06 9.093231116007452e-01 PASS
intel_autotools: [intel2023a-serial] -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
foss-opt-full: [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-ppc: [foss2022a-serial] -8.194568865200000e+02 -7.030000006125192e-06 -8.978288641283770e-01 PASS
intel_omp_autotools: [intel2023a-serial] -8.194568858900000e+02 -6.399999961104186e-06 -8.173690882636253e-01 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] -8.194568866100000e+02 -7.119999963833834e-06 -9.093231116007452e-01 PASS
foss-serial-debug: [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
foss-mpi-opt-full: [foss2023a-mpi] -8.194568866100000e+02 -7.119999963833834e-06 -9.093231116007452e-01 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] -8.194568866100000e+02 -7.119999963833834e-06 -9.093231116007452e-01 PASS
foss-omp-full: [foss2023a-serial] -8.194568865900000e+02 -7.099999947968172e-06 -9.067688311581319e-01 PASS
foss-mpi-full: [foss2023a-mpi] -8.194568866100000e+02 -7.119999963833834e-06 -9.093231116007452e-01 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] -8.194568865900000e+02 -7.099999947968172e-06 -9.067688311581319e-01 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] -8.194568865900000e+02 -7.099999947968172e-06 -9.067688311581319e-01 PASS
foss-mpi-debug: [foss2023a-mpi] -8.194568866100000e+02 -7.119999963833834e-06 -9.093231116007452e-01 PASS
intel_mpi_autotools: [intel2023a-mpi] -8.194568865900000e+02 -7.099999947968172e-06 -9.067688311581319e-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
foss-mpi-omp-full: [foss2023a-mpi] -8.194568865900000e+02 -7.099999947968172e-06 -9.067688311581319e-01 PASS
cuda-serial: [foss2022a-cuda-mpi] -8.194569172900000e+02 -3.779999997277628e-05 -4.827586203419703e+00 FAIL
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] -8.194568865100000e+02 -7.019999998192361e-06 -8.965517239070704e-01 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] -8.194568865900000e+02 -7.099999947968172e-06 -9.067688311581319e-01 PASS