Match comparison for gga_x_optpbe_vdw Exchange (match type 12340)

Commits > Commit 3186a8a51be7ad5a27ccff6e8e2901df0a16a559 > Input 03-xc.gga_x_optpbe_vdw.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-3.146356050000000e-01 3.900000000000000e-06 -3.146387450000000e-01 1.622996485697044e-06 -3.146356000000000e-01 3.549999999991060e-06 PASS

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Detailed information

Reference: -0.314635605, precision: 0.0000039
Run Value Difference Relative difference Status
spack_foss-2023a_serial_min -3.146391300000000e-01 -3.525000000004219e-06 -9.038461538472357e-01 PASS
spack_foss-2023a_serial_opt -3.146391300000000e-01 -3.525000000004219e-06 -9.038461538472357e-01 PASS
spack_foss-2022a_serial -3.146391300000000e-01 -3.525000000004219e-06 -9.038461538472357e-01 PASS
spack_foss-2022a_serial_min -3.146391300000000e-01 -3.525000000004219e-06 -9.038461538472357e-01 PASS
spack_foss-2022a_ppc -3.146391300000000e-01 -3.525000000004219e-06 -9.038461538472357e-01 PASS
spack_foss-2023a_serial -3.146391300000000e-01 -3.525000000004219e-06 -9.038461538472357e-01 PASS
spack_foss-2023b_serial -3.146391300000000e-01 -3.525000000004219e-06 -9.038461538472357e-01 PASS
spack_foss-2022a_mpi_min -3.146391500000000e-01 -3.544999999993692e-06 -9.089743589727416e-01 PASS
spack_foss-2023a_mpi_min -3.146391500000000e-01 -3.544999999993692e-06 -9.089743589727416e-01 PASS
spack_foss-2023a_serial_omp -3.146391300000000e-01 -3.525000000004219e-06 -9.038461538472357e-01 PASS
spack_foss-2023a_mpi_opt -3.146391500000000e-01 -3.544999999993692e-06 -9.089743589727416e-01 PASS
spack_foss-2022a_mpi -3.146391500000000e-01 -3.544999999993692e-06 -9.089743589727416e-01 PASS
spack_foss-2023a_mpi -3.146391500000000e-01 -3.544999999993692e-06 -9.089743589727416e-01 PASS
spack_foss-2023a_serial_debug -3.146391300000000e-01 -3.525000000004219e-06 -9.038461538472357e-01 PASS
GCI_foss-cmake: [foss2022a-serial, foss-min] -3.146391300000000e-01 -3.525000000004219e-06 -9.038461538472357e-01 PASS
GCI_foss_opt_autotools: [foss2023a-serial] -3.146391300000000e-01 -3.525000000004219e-06 -9.038461538472357e-01 PASS
GCI_foss-cmake: [foss2022a-serial, foss-full] -3.146391300000000e-01 -3.525000000004219e-06 -9.038461538472357e-01 PASS
spack_foss-2023a_mpi_debug -3.146391500000000e-01 -3.544999999993692e-06 -9.089743589727416e-01 PASS
GCI_intel_autotools: [intel2023a-serial] -3.146391300000000e-01 -3.525000000004219e-06 -9.038461538472357e-01 PASS
GCI_intel_omp_autotools: [intel2023a-serial] -3.146391300000000e-01 -3.525000000004219e-06 -9.038461538472357e-01 PASS
GCI_intel_omp_autotools: [intel2022a-serial] -3.146391300000000e-01 -3.525000000004219e-06 -9.038461538472357e-01 PASS
GCI_foss_omp_autotools: [foss2023a-serial] -3.146391300000000e-01 -3.525000000004219e-06 -9.038461538472357e-01 PASS
GCI_foss_ppc_autotools: [foss2022a-serial] -3.146391300000000e-01 -3.525000000004219e-06 -9.038461538472357e-01 PASS
GCI_foss_min_autotools: [foss2022a-serial] -3.146391300000000e-01 -3.525000000004219e-06 -9.038461538472357e-01 PASS
GCI_foss_min_autotools: [foss2023a-serial] -3.146391300000000e-01 -3.525000000004219e-06 -9.038461538472357e-01 PASS
GCI_foss_min_autotools: [foss2023b-serial] -3.146391300000000e-01 -3.525000000004219e-06 -9.038461538472357e-01 PASS
GCI_foss_autotools: [foss2022a-serial] -3.146391300000000e-01 -3.525000000004219e-06 -9.038461538472357e-01 PASS
GCI_foss_autotools: [foss2023b-serial] -3.146391300000000e-01 -3.525000000004219e-06 -9.038461538472357e-01 PASS
GCI_foss_autotools: [foss2023a-serial] -3.146391300000000e-01 -3.525000000004219e-06 -9.038461538472357e-01 PASS
GCI_foss_debug_autotools: [foss2023a-serial] -3.146391300000000e-01 -3.525000000004219e-06 -9.038461538472357e-01 PASS
spack_foss-2023a_mpi_omp -3.146391500000000e-01 -3.544999999993692e-06 -9.089743589727416e-01 PASS
GCI_foss_mpi_autotools: [foss2022a-mpi] -3.146391500000000e-01 -3.544999999993692e-06 -9.089743589727416e-01 PASS
GCI_foss_mpi_autotools: [foss2023a-mpi] -3.146391500000000e-01 -3.544999999993692e-06 -9.089743589727416e-01 PASS
GCI_foss_mpi_omp_autotools: [foss2023a-mpi] -3.146391500000000e-01 -3.544999999993692e-06 -9.089743589727416e-01 PASS
GCI_foss_mpi_debug_autotools: [foss2023a-mpi] -3.146391500000000e-01 -3.544999999993692e-06 -9.089743589727416e-01 PASS
cmake_foss_2022a_full_serial -3.146391300000000e-01 -3.525000000004219e-06 -9.038461538472357e-01 PASS
cmake_foss_2022a_min_serial -3.146391300000000e-01 -3.525000000004219e-06 -9.038461538472357e-01 PASS
cmake_foss_2022a_min_mpi -3.146391500000000e-01 -3.544999999993692e-06 -9.089743589727416e-01 PASS
cmake_foss_2022a_full_mpi -3.146391500000000e-01 -3.544999999993692e-06 -9.089743589727416e-01 PASS
spack_intel-2022a_impi_omp -3.146391500000000e-01 -3.544999999993692e-06 -9.089743589727416e-01 PASS
spack_intel-2023a_serial -3.146391300000000e-01 -3.525000000004219e-06 -9.038461538472357e-01 PASS
spack_intel-2022a_serial_omp -3.146391300000000e-01 -3.525000000004219e-06 -9.038461538472357e-01 PASS
spack_intel-2023a_serial_omp -3.146391300000000e-01 -3.525000000004219e-06 -9.038461538472357e-01 PASS
spack_intel-2023a_impi -3.146391500000000e-01 -3.544999999993692e-06 -9.089743589727416e-01 PASS
GCI_foss_cuda_autotools: [foss2022a-cuda-mpi] -3.146320500000000e-01 3.554999999988429e-06 9.115384615354946e-01 PASS
spack_foss-2022a_cuda_mpi_omp -3.146320600000000e-01 3.544999999993692e-06 9.089743589727416e-01 PASS
GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] -3.146391500000000e-01 -3.544999999993692e-06 -9.089743589727416e-01 PASS
GCI_foss_mpi_opt_autotools: [foss2023a-mpi] -3.146391500000000e-01 -3.544999999993692e-06 -9.089743589727416e-01 PASS
GCI_foss_mpi_min_autotools: [foss2022a-mpi] -3.146391500000000e-01 -3.544999999993692e-06 -9.089743589727416e-01 PASS
GCI_foss_mpi_min_autotools: [foss2023a-mpi] -3.146391500000000e-01 -3.544999999993692e-06 -9.089743589727416e-01 PASS
spack_foss-2022a_cuda_serial -3.146320500000000e-01 3.554999999988429e-06 9.115384615354946e-01 PASS
GCI_intel_mpi_autotools: [intel2023a-mpi] -3.146391500000000e-01 -3.544999999993692e-06 -9.089743589727416e-01 PASS
GCI_intel_mpi_omp_autotools: [intel2022a-mpi] -3.146391500000000e-01 -3.544999999993692e-06 -9.089743589727416e-01 PASS
GCI_foss-cmake: [foss2022a-mpi, foss-min-mpi] -3.146391500000000e-01 -3.544999999993692e-06 -9.089743589727416e-01 PASS