Match comparison for External energy (match type 26862)

Commits > Commit b1773e3237a9e3fe1d68ecd7146c17ebbd95a961 > 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 -8.194568873649123e+02 1.788098584255750e-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
GCI_foss_min_autotools: [foss2023a-serial] -8.194568873600000e+02 4.000003173132427e-08 9.756105300322993e-02 PASS
GCI_foss_opt_autotools: [foss2023a-serial] -8.194568873600000e+02 4.000003173132427e-08 9.756105300322993e-02 PASS
cmake_foss_2022a_full_serial -8.194568873600000e+02 4.000003173132427e-08 9.756105300322993e-02 PASS
GCI_foss_autotools: [foss2022a-serial] -8.194568873600000e+02 4.000003173132427e-08 9.756105300322993e-02 PASS
GCI_foss_autotools: [foss2023b-serial] -8.194568873600000e+02 4.000003173132427e-08 9.756105300322993e-02 PASS
GCI_foss_mpi_opt_autotools: [foss2023a-mpi] -8.194568873600000e+02 4.000003173132427e-08 9.756105300322993e-02 PASS
spack_foss-2023a_serial_min -8.194568873600000e+02 4.000003173132427e-08 9.756105300322993e-02 PASS
spack_foss-2022a_serial_min -8.194568873600000e+02 4.000003173132427e-08 9.756105300322993e-02 PASS
spack_foss-2022a_ppc -8.194568873600000e+02 4.000003173132427e-08 9.756105300322993e-02 PASS
spack_foss-2022a_serial -8.194568873600000e+02 4.000003173132427e-08 9.756105300322993e-02 PASS
GCI_intel_omp_autotools: [intel2022a-serial] -8.194568873600000e+02 4.000003173132427e-08 9.756105300322993e-02 PASS
spack_foss-2023a_serial -8.194568873600000e+02 4.000003173132427e-08 9.756105300322993e-02 PASS
cmake_foss_2022a_min_mpi -8.194568873600000e+02 4.000003173132427e-08 9.756105300322993e-02 PASS
GCI_foss-cmake: [foss2022a-serial, foss-min] -8.194568873600000e+02 4.000003173132427e-08 9.756105300322993e-02 PASS
GCI_foss_mpi_min_autotools: [foss2022a-mpi] -8.194568873600000e+02 4.000003173132427e-08 9.756105300322993e-02 PASS
GCI_foss_debug_autotools: [foss2023a-serial] -8.194568873600000e+02 4.000003173132427e-08 9.756105300322993e-02 PASS
spack_foss-2022a_mpi_min -8.194568873600000e+02 4.000003173132427e-08 9.756105300322993e-02 PASS
spack_foss-2023a_mpi_min -8.194568873600000e+02 4.000003173132427e-08 9.756105300322993e-02 PASS
GCI_foss_mpi_autotools: [foss2022a-mpi] -8.194568873600000e+02 4.000003173132427e-08 9.756105300322993e-02 PASS
GCI_foss_ppc_autotools: [foss2022a-serial] -8.194568873600000e+02 4.000003173132427e-08 9.756105300322993e-02 PASS
cmake_foss_2022a_full_mpi -8.194568873600000e+02 4.000003173132427e-08 9.756105300322993e-02 PASS
spack_foss-2023a_mpi_opt -8.194568873600000e+02 4.000003173132427e-08 9.756105300322993e-02 PASS
cmake_foss_2022a_min_serial -8.194568873600000e+02 4.000003173132427e-08 9.756105300322993e-02 PASS
spack_foss-2023a_serial_debug -8.194568873600000e+02 4.000003173132427e-08 9.756105300322993e-02 PASS
spack_foss-2022a_mpi -8.194568873600000e+02 4.000003173132427e-08 9.756105300322993e-02 PASS
spack_foss-2023a_mpi -8.194568873600000e+02 4.000003173132427e-08 9.756105300322993e-02 PASS
GCI_foss_mpi_debug_autotools: [foss2023a-mpi] -8.194568873600000e+02 4.000003173132427e-08 9.756105300322993e-02 PASS
GCI_foss_min_autotools: [foss2023b-serial] -8.194568873600000e+02 4.000003173132427e-08 9.756105300322993e-02 PASS
spack_foss-2023a_mpi_debug -8.194568873600000e+02 4.000003173132427e-08 9.756105300322993e-02 PASS
spack_foss-2023a_mpi_omp -8.194568873600000e+02 4.000003173132427e-08 9.756105300322993e-02 PASS
GCI_foss_autotools: [foss2023a-serial] -8.194568873600000e+02 4.000003173132427e-08 9.756105300322993e-02 PASS
GCI_foss_min_autotools: [foss2022a-serial] -8.194568873600000e+02 4.000003173132427e-08 9.756105300322993e-02 PASS
spack_foss-2022a_cuda_mpi_omp -8.194568874300001e+02 -3.000002379849320e-08 -7.317078975242244e-02 PASS
GCI_intel_autotools: [intel2023a-serial] -8.194568873600000e+02 4.000003173132427e-08 9.756105300322993e-02 PASS
GCI_foss_mpi_autotools: [foss2023a-mpi] -8.194568873600000e+02 4.000003173132427e-08 9.756105300322993e-02 PASS
spack_foss-2023a_serial_opt -8.194568873600000e+02 4.000003173132427e-08 9.756105300322993e-02 PASS
GCI_foss_mpi_min_autotools: [foss2023a-mpi] -8.194568873600000e+02 4.000003173132427e-08 9.756105300322993e-02 PASS
GCI_foss_omp_autotools: [foss2023a-serial] -8.194568873600000e+02 4.000003173132427e-08 9.756105300322993e-02 PASS
spack_foss-2023a_serial_omp -8.194568873600000e+02 4.000003173132427e-08 9.756105300322993e-02 PASS
GCI_foss-cmake: [foss2022a-serial, foss-full] -8.194568873600000e+02 4.000003173132427e-08 9.756105300322993e-02 PASS
spack_foss-2023b_serial -8.194568873600000e+02 4.000003173132427e-08 9.756105300322993e-02 PASS
spack_intel-2023a_serial -8.194568873600000e+02 4.000003173132427e-08 9.756105300322993e-02 PASS
spack_intel-2022a_serial_omp -8.194568873600000e+02 4.000003173132427e-08 9.756105300322993e-02 PASS
GCI_intel_omp_autotools: [intel2023a-serial] -8.194568873600000e+02 4.000003173132427e-08 9.756105300322993e-02 PASS
GCI_foss-cmake: [foss2022a-mpi, foss-min-mpi] -8.194568873600000e+02 4.000003173132427e-08 9.756105300322993e-02 PASS
spack_intel-2023a_serial_omp -8.194568873600000e+02 4.000003173132427e-08 9.756105300322993e-02 PASS
GCI_foss_cuda_autotools: [foss2022a-cuda-mpi] -8.194568874300001e+02 -3.000002379849320e-08 -7.317078975242244e-02 PASS
GCI_intel_mpi_autotools: [intel2023a-mpi] -8.194568873600000e+02 4.000003173132427e-08 9.756105300322993e-02 PASS
spack_intel-2023a_impi -8.194568873600000e+02 4.000003173132427e-08 9.756105300322993e-02 PASS
GCI_foss_mpi_omp_autotools: [foss2023a-mpi] -8.194568873600000e+02 4.000003173132427e-08 9.756105300322993e-02 PASS
GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] -8.194568873600000e+02 4.000003173132427e-08 9.756105300322993e-02 PASS
GCI_foss-cmake: [foss2023a-mpi, foss-min-mpi] -8.194568873600000e+02 4.000003173132427e-08 9.756105300322993e-02 PASS
GCI_foss-cmake: [foss2023a-mpi, foss-full-mpi] -8.194568873600000e+02 4.000003173132427e-08 9.756105300322993e-02 PASS
spack_intel-2022a_impi_omp -8.194568873600000e+02 4.000003173132427e-08 9.756105300322993e-02 PASS
spack_foss-2022a_cuda_serial -8.194568874300001e+02 -3.000002379849320e-08 -7.317078975242244e-02 PASS
GCI_intel_mpi_omp_autotools: [intel2022a-mpi] -8.194568873600000e+02 4.000003173132427e-08 9.756105300322993e-02 PASS
GCI_foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] -8.194568874300001e+02 -3.000002379849320e-08 -7.317078975242244e-02 PASS