Match comparison for Exchange energy (match type 11933)

Commits > Commit 3186a8a51be7ad5a27ccff6e8e2901df0a16a559 > Input 08-vdw_ts.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-6.711479799999999e+00 3.360000000000000e-06 -6.711479800000001e+00 8.881784197001252e-16 -6.711479800000000e+00 0.000000000000000e+00 PASS
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Detailed information

Reference: -6.711479799999999, precision: 0.00000336
Run Value Difference Relative difference Status
spack_foss-2023a_serial_min -6.711479800000000e+00 -8.881784197001252e-16 -2.643388153869420e-10 PASS
spack_foss-2023a_serial_opt -6.711479800000000e+00 -8.881784197001252e-16 -2.643388153869420e-10 PASS
spack_foss-2022a_serial -6.711479800000000e+00 -8.881784197001252e-16 -2.643388153869420e-10 PASS
spack_foss-2022a_serial_min -6.711479800000000e+00 -8.881784197001252e-16 -2.643388153869420e-10 PASS
spack_foss-2022a_ppc -6.711479800000000e+00 -8.881784197001252e-16 -2.643388153869420e-10 PASS
spack_foss-2023a_serial -6.711479800000000e+00 -8.881784197001252e-16 -2.643388153869420e-10 PASS
spack_foss-2023b_serial -6.711479800000000e+00 -8.881784197001252e-16 -2.643388153869420e-10 PASS
spack_foss-2022a_mpi_min -6.711479800000000e+00 -8.881784197001252e-16 -2.643388153869420e-10 PASS
spack_foss-2023a_mpi_min -6.711479800000000e+00 -8.881784197001252e-16 -2.643388153869420e-10 PASS
spack_foss-2023a_serial_omp -6.711479800000000e+00 -8.881784197001252e-16 -2.643388153869420e-10 PASS
spack_foss-2023a_mpi_opt -6.711479800000000e+00 -8.881784197001252e-16 -2.643388153869420e-10 PASS
spack_foss-2022a_mpi -6.711479800000000e+00 -8.881784197001252e-16 -2.643388153869420e-10 PASS
spack_foss-2023a_mpi -6.711479800000000e+00 -8.881784197001252e-16 -2.643388153869420e-10 PASS
spack_foss-2023a_serial_debug -6.711479800000000e+00 -8.881784197001252e-16 -2.643388153869420e-10 PASS
GCI_foss-cmake: [foss2022a-serial, foss-min] -6.711479800000000e+00 -8.881784197001252e-16 -2.643388153869420e-10 PASS
GCI_foss_opt_autotools: [foss2023a-serial] -6.711479800000000e+00 -8.881784197001252e-16 -2.643388153869420e-10 PASS
GCI_foss-cmake: [foss2022a-serial, foss-full] -6.711479800000000e+00 -8.881784197001252e-16 -2.643388153869420e-10 PASS
spack_foss-2023a_mpi_debug -6.711479800000000e+00 -8.881784197001252e-16 -2.643388153869420e-10 PASS
GCI_intel_autotools: [intel2023a-serial] -6.711479800000000e+00 -8.881784197001252e-16 -2.643388153869420e-10 PASS
GCI_intel_omp_autotools: [intel2023a-serial] -6.711479800000000e+00 -8.881784197001252e-16 -2.643388153869420e-10 PASS
GCI_intel_omp_autotools: [intel2022a-serial] -6.711479800000000e+00 -8.881784197001252e-16 -2.643388153869420e-10 PASS
GCI_foss_omp_autotools: [foss2023a-serial] -6.711479800000000e+00 -8.881784197001252e-16 -2.643388153869420e-10 PASS
GCI_foss_ppc_autotools: [foss2022a-serial] -6.711479800000000e+00 -8.881784197001252e-16 -2.643388153869420e-10 PASS
GCI_foss_min_autotools: [foss2022a-serial] -6.711479800000000e+00 -8.881784197001252e-16 -2.643388153869420e-10 PASS
GCI_foss_min_autotools: [foss2023a-serial] -6.711479800000000e+00 -8.881784197001252e-16 -2.643388153869420e-10 PASS
GCI_foss_min_autotools: [foss2023b-serial] -6.711479800000000e+00 -8.881784197001252e-16 -2.643388153869420e-10 PASS
GCI_foss_autotools: [foss2022a-serial] -6.711479800000000e+00 -8.881784197001252e-16 -2.643388153869420e-10 PASS
GCI_foss_autotools: [foss2023b-serial] -6.711479800000000e+00 -8.881784197001252e-16 -2.643388153869420e-10 PASS
GCI_foss_autotools: [foss2023a-serial] -6.711479800000000e+00 -8.881784197001252e-16 -2.643388153869420e-10 PASS
GCI_foss_debug_autotools: [foss2023a-serial] -6.711479800000000e+00 -8.881784197001252e-16 -2.643388153869420e-10 PASS
spack_foss-2023a_mpi_omp -6.711479800000000e+00 -8.881784197001252e-16 -2.643388153869420e-10 PASS
GCI_foss_mpi_autotools: [foss2022a-mpi] -6.711479800000000e+00 -8.881784197001252e-16 -2.643388153869420e-10 PASS
GCI_foss_mpi_autotools: [foss2023a-mpi] -6.711479800000000e+00 -8.881784197001252e-16 -2.643388153869420e-10 PASS
GCI_foss_mpi_omp_autotools: [foss2023a-mpi] -6.711479800000000e+00 -8.881784197001252e-16 -2.643388153869420e-10 PASS
GCI_foss_mpi_debug_autotools: [foss2023a-mpi] -6.711479800000000e+00 -8.881784197001252e-16 -2.643388153869420e-10 PASS
cmake_foss_2022a_full_serial -6.711479800000000e+00 -8.881784197001252e-16 -2.643388153869420e-10 PASS
cmake_foss_2022a_min_serial -6.711479800000000e+00 -8.881784197001252e-16 -2.643388153869420e-10 PASS
cmake_foss_2022a_min_mpi -6.711479800000000e+00 -8.881784197001252e-16 -2.643388153869420e-10 PASS
cmake_foss_2022a_full_mpi -6.711479800000000e+00 -8.881784197001252e-16 -2.643388153869420e-10 PASS
spack_intel-2022a_impi_omp -6.711479800000000e+00 -8.881784197001252e-16 -2.643388153869420e-10 PASS
spack_intel-2023a_serial -6.711479800000000e+00 -8.881784197001252e-16 -2.643388153869420e-10 PASS
spack_intel-2022a_serial_omp -6.711479800000000e+00 -8.881784197001252e-16 -2.643388153869420e-10 PASS
spack_intel-2023a_serial_omp -6.711479800000000e+00 -8.881784197001252e-16 -2.643388153869420e-10 PASS
spack_intel-2023a_impi -6.711479800000000e+00 -8.881784197001252e-16 -2.643388153869420e-10 PASS
GCI_foss_cuda_autotools: [foss2022a-cuda-mpi] -6.711479800000000e+00 -8.881784197001252e-16 -2.643388153869420e-10 PASS
spack_foss-2022a_cuda_mpi_omp -6.711479800000000e+00 -8.881784197001252e-16 -2.643388153869420e-10 PASS
GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] -6.711479800000000e+00 -8.881784197001252e-16 -2.643388153869420e-10 PASS
GCI_foss_mpi_opt_autotools: [foss2023a-mpi] -6.711479800000000e+00 -8.881784197001252e-16 -2.643388153869420e-10 PASS
GCI_foss_mpi_min_autotools: [foss2022a-mpi] -6.711479800000000e+00 -8.881784197001252e-16 -2.643388153869420e-10 PASS
GCI_foss_mpi_min_autotools: [foss2023a-mpi] -6.711479800000000e+00 -8.881784197001252e-16 -2.643388153869420e-10 PASS
spack_foss-2022a_cuda_serial -6.711479800000000e+00 -8.881784197001252e-16 -2.643388153869420e-10 PASS
GCI_intel_mpi_autotools: [intel2023a-mpi] -6.711479800000000e+00 -8.881784197001252e-16 -2.643388153869420e-10 PASS
GCI_intel_mpi_omp_autotools: [intel2022a-mpi] -6.711479800000000e+00 -8.881784197001252e-16 -2.643388153869420e-10 PASS
GCI_foss-cmake: [foss2022a-mpi, foss-min-mpi] -6.711479800000000e+00 -8.881784197001252e-16 -2.643388153869420e-10 PASS