Match comparison for MVORB HSE06 Fock Total (match type 23351)

Commits > Commit 6186e1f92bb6a84e4a2e679736ea9db4d0c9eca5 > Input 03-xc.mvorb_hse06_fock.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-7.874097100000000e-01 6.090000000000000e-06 -7.874143514814813e-01 2.861043197089626e-06 -7.874097099999999e-01 5.540000000026080e-06 PASS

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Detailed information

Reference: -0.78740971, precision: 0.00000609
Run Value Difference Relative difference Status
spack_foss-2022a_serial_min -7.874150900000000e-01 -5.379999999943763e-06 -8.834154351303387e-01 PASS
spack_foss-2022a_serial -7.874150900000000e-01 -5.379999999943763e-06 -8.834154351303387e-01 PASS
spack_foss-2022a_cuda_serial -7.874043100000000e-01 5.400000000044258e-06 8.866995073964299e-01 PASS
spack_foss-2022a_ppc -7.874150900000000e-01 -5.379999999943763e-06 -8.834154351303387e-01 PASS
cmake_foss_2022a_full_serial -7.874150900000000e-01 -5.379999999943763e-06 -8.834154351303387e-01 PASS
spack_foss-2022a_mpi_min -7.874152500000000e-01 -5.539999999970568e-06 -9.096880131314562e-01 PASS
spack_foss-2023a_mpi_min -7.874152500000000e-01 -5.539999999970568e-06 -9.096880131314562e-01 PASS
cmake_foss_2022a_min_serial -7.874150900000000e-01 -5.379999999943763e-06 -8.834154351303387e-01 PASS
spack_foss-2022a_mpi -7.874152500000000e-01 -5.539999999970568e-06 -9.096880131314562e-01 PASS
spack_foss-2023a_mpi -7.874152500000000e-01 -5.539999999970568e-06 -9.096880131314562e-01 PASS
spack_foss-2023a_serial -7.874150900000000e-01 -5.379999999943763e-06 -8.834154351303387e-01 PASS
spack_foss-2022a_cuda_mpi_omp -7.874041700000000e-01 5.540000000081591e-06 9.096880131496865e-01 PASS
spack_foss-2023a_mpi_debug -7.874152500000000e-01 -5.539999999970568e-06 -9.096880131314562e-01 PASS
spack_foss-2023a_mpi_opt -7.874152500000000e-01 -5.539999999970568e-06 -9.096880131314562e-01 PASS
spack_foss-2023a_serial_min -7.874150900000000e-01 -5.379999999943763e-06 -8.834154351303387e-01 PASS
spack_foss-2023a_serial_debug -7.874150900000000e-01 -5.379999999943763e-06 -8.834154351303387e-01 PASS
spack_foss-2023a_serial_opt -7.874150900000000e-01 -5.379999999943763e-06 -8.834154351303387e-01 PASS
spack_foss-2023a_mpi_omp -7.874152500000000e-01 -5.539999999970568e-06 -9.096880131314562e-01 PASS
spack_foss-2023b_serial -7.874150900000000e-01 -5.379999999943763e-06 -8.834154351303387e-01 PASS
spack_foss-2023a_serial_omp -7.874150900000000e-01 -5.379999999943763e-06 -8.834154351303387e-01 PASS
spack_intel-2023a_serial -7.874150900000000e-01 -5.379999999943763e-06 -8.834154351303387e-01 PASS
spack_intel-2022a_serial_omp -7.874150900000000e-01 -5.379999999943763e-06 -8.834154351303387e-01 PASS
spack_intel-2023a_serial_omp -7.874150900000000e-01 -5.379999999943763e-06 -8.834154351303387e-01 PASS
spack_intel-2022a_impi_omp -7.874152500000000e-01 -5.539999999970568e-06 -9.096880131314562e-01 PASS
spack_intel-2023a_impi -7.874152500000000e-01 -5.539999999970568e-06 -9.096880131314562e-01 PASS
cmake_foss_2022a_full_mpi -7.874152500000000e-01 -5.539999999970568e-06 -9.096880131314562e-01 PASS
cmake_foss_2022a_min_mpi -7.874152500000000e-01 -5.539999999970568e-06 -9.096880131314562e-01 PASS