Match comparison for gga_x_optpbe_vdw Exchange (match type 12340)

Commits > Commit 22a7b3628f7ddff53691f80b422d9224cf7a2498 > 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 -3.146386140740741e-01 1.855211397075055e-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-2022a_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-2023b_serial -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-2022a_ppc -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_serial_debug -3.146391300000000e-01 -3.525000000004219e-06 -9.038461538472357e-01 PASS
spack_foss-2022a_cuda_serial -3.146320500000000e-01 3.554999999988429e-06 9.115384615354946e-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
cmake_foss_2022a_full_mpi -3.146391500000000e-01 -3.544999999993692e-06 -9.089743589727416e-01 PASS
spack_foss-2022a_cuda_mpi_omp -3.146320600000000e-01 3.544999999993692e-06 9.089743589727416e-01 PASS
spack_foss-2023a_mpi_debug -3.146391500000000e-01 -3.544999999993692e-06 -9.089743589727416e-01 PASS
spack_foss-2023a_mpi_omp -3.146391500000000e-01 -3.544999999993692e-06 -9.089743589727416e-01 PASS
cmake_foss_2022a_min_serial -3.146391300000000e-01 -3.525000000004219e-06 -9.038461538472357e-01 PASS
cmake_foss_2022a_full_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
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
spack_intel-2022a_impi_omp -3.146391500000000e-01 -3.544999999993692e-06 -9.089743589727416e-01 PASS