Match comparison for Exchange energy (match type 30071)

Commits > Commit 32c00845502bbc3ac64555e3c727792a7ab72a6a > Input 10-fullerene.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-8.915450140000000e+01 4.460000000000000e-06 -8.915450139964911e+01 1.840016982836861e-09 -8.915450139500000e+01 5.000003966415534e-09 PASS
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Detailed information

Reference: -89.1545014, precision: 0.00000446
Run Value Difference Relative difference Status
GCI_foss_ppc_autotools: [foss2022a-serial] -8.915450140000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
cmake_foss_2022a_full_serial -8.915450140000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2022a_ppc -8.915450140000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2023a_serial_opt -8.915450140000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
cmake_foss_2022a_min_serial -8.915450140000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
cmake_foss_2022a_min_mpi -8.915450140000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
cmake_foss_2022a_full_mpi -8.915450140000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2022a_mpi -8.915450140000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2022a_mpi_min -8.915450140000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2022a_serial -8.915450140000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
GCI_foss_min_autotools: [foss2022a-serial] -8.915450140000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
GCI_foss_min_autotools: [foss2023a-serial] -8.915450140000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2022a_serial_min -8.915450140000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2023a_serial -8.915450140000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2023a_mpi_min -8.915450140000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2023a_mpi -8.915450140000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2023a_serial_min -8.915450140000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2023a_mpi_opt -8.915450140000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
GCI_foss_min_autotools: [foss2023b-serial] -8.915450140000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2023a_serial_debug -8.915450140000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2023b_serial -8.915450140000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2023a_serial_omp -8.915450140000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
GCI_foss_omp_autotools: [foss2023a-serial] -8.915450140000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2023a_mpi_debug -8.915450140000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
GCI_foss_autotools: [foss2022a-serial] -8.915450140000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
GCI_foss_opt_autotools: [foss2023a-serial] -8.915450140000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
GCI_foss_autotools: [foss2023a-serial] -8.915450140000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_intel-2022a_serial_omp -8.915450138999999e+01 1.000000793283107e-08 2.242154245029388e-03 PASS
GCI_foss_autotools: [foss2023b-serial] -8.915450140000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2023a_mpi_omp -8.915450140000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_intel-2023a_serial -8.915450140000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
GCI_foss_mpi_opt_autotools: [foss2023a-mpi] -8.915450140000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
GCI_intel_autotools: [intel2023a-serial] -8.915450140000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
GCI_intel_omp_autotools: [intel2022a-serial] -8.915450138999999e+01 1.000000793283107e-08 2.242154245029388e-03 PASS
spack_intel-2023a_impi -8.915450140000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
GCI_intel_omp_autotools: [intel2023a-serial] -8.915450140000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
GCI_foss_debug_autotools: [foss2023a-serial] -8.915450140000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
GCI_foss-cmake: [foss2022a-serial, foss-min] -8.915450140000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
GCI_foss-cmake: [foss2022a-serial, foss-full] -8.915450140000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
GCI_intel_mpi_autotools: [intel2023a-mpi] -8.915450140000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
GCI_foss-cmake: [foss2022a-mpi, foss-min-mpi] -8.915450140000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
GCI_foss_mpi_min_autotools: [foss2022a-mpi] -8.915450140000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
GCI_foss_mpi_min_autotools: [foss2023a-mpi] -8.915450140000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] -8.915450140000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
GCI_foss_mpi_autotools: [foss2022a-mpi] -8.915450140000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
GCI_foss-cmake: [foss2023a-mpi, foss-min-mpi] -8.915450140000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
GCI_foss_mpi_autotools: [foss2023a-mpi] -8.915450140000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
GCI_foss_mpi_debug_autotools: [foss2023a-mpi] -8.915450140000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
GCI_foss_mpi_omp_autotools: [foss2023a-mpi] -8.915450140000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
GCI_foss-cmake: [foss2023a-mpi, foss-full-mpi] -8.915450140000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_intel-2023a_serial_omp -8.915450140000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_intel-2022a_impi_omp -8.915450140000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2022a_cuda_mpi_omp -8.915450140000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
GCI_intel_mpi_omp_autotools: [intel2022a-mpi] -8.915450140000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2022a_cuda_serial -8.915450140000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
GCI_foss_cuda_autotools: [foss2022a-cuda-mpi] -8.915450140000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
GCI_foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] -8.915450140000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS