Match comparison for Band structure E2(k1) (match type 28518)

Commits > Commit 6186e1f92bb6a84e4a2e679736ea9db4d0c9eca5 > Input 01-nio.02-unocc.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-3.083676780000000e+00 5.000000000000000e-06 -3.083676920740741e+00 2.308426742110554e-07 -3.083676940000000e+00 4.600000000909432e-07 PASS
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Detailed information

Reference: -3.08367678, precision: 0.000005
Run Value Difference Relative difference Status
spack_foss-2022a_serial_min -3.083676780000000e+00 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2022a_serial -3.083676780000000e+00 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2022a_cuda_serial -3.083677400000000e+00 -6.200000002287709e-07 -1.240000000457542e-01 PASS
spack_foss-2022a_ppc -3.083676840000000e+00 -6.000000007944095e-08 -1.200000001588819e-02 PASS
cmake_foss_2022a_full_serial -3.083676780000000e+00 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2022a_mpi_min -3.083677080000000e+00 -3.000000003972048e-07 -6.000000007944094e-02 PASS
spack_foss-2023a_mpi_min -3.083676480000000e+00 2.999999999531155e-07 5.999999999062310e-02 PASS
cmake_foss_2022a_min_serial -3.083676780000000e+00 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2022a_mpi -3.083677080000000e+00 -3.000000003972048e-07 -6.000000007944094e-02 PASS
spack_foss-2023a_mpi -3.083676480000000e+00 2.999999999531155e-07 5.999999999062310e-02 PASS
spack_foss-2023a_serial -3.083677050000000e+00 -2.700000001354397e-07 -5.400000002708793e-02 PASS
spack_foss-2022a_cuda_mpi_omp -3.083677100000000e+00 -3.200000002756553e-07 -6.400000005513107e-02 PASS
spack_foss-2023a_mpi_debug -3.083676480000000e+00 2.999999999531155e-07 5.999999999062310e-02 PASS
spack_foss-2023a_mpi_opt -3.083676480000000e+00 2.999999999531155e-07 5.999999999062310e-02 PASS
spack_foss-2023a_serial_min -3.083677050000000e+00 -2.700000001354397e-07 -5.400000002708793e-02 PASS
spack_foss-2023a_serial_debug -3.083677050000000e+00 -2.700000001354397e-07 -5.400000002708793e-02 PASS
spack_foss-2023a_serial_opt -3.083677050000000e+00 -2.700000001354397e-07 -5.400000002708793e-02 PASS
spack_foss-2023a_mpi_omp -3.083676990000000e+00 -2.100000000559987e-07 -4.200000001119975e-02 PASS
spack_foss-2023b_serial -3.083677050000000e+00 -2.700000001354397e-07 -5.400000002708793e-02 PASS
spack_foss-2023a_serial_omp -3.083676910000000e+00 -1.300000000981072e-07 -2.600000001962144e-02 PASS
spack_intel-2023a_serial -3.083676840000000e+00 -6.000000007944095e-08 -1.200000001588819e-02 PASS
spack_intel-2022a_serial_omp -3.083676970000000e+00 -1.900000001775481e-07 -3.800000003550963e-02 PASS
spack_intel-2023a_serial_omp -3.083677080000000e+00 -3.000000003972048e-07 -6.000000007944094e-02 PASS
spack_intel-2022a_impi_omp -3.083677220000000e+00 -4.400000004345372e-07 -8.800000008690743e-02 PASS
spack_intel-2023a_impi -3.083676900000000e+00 -1.200000001588819e-07 -2.400000003177638e-02 PASS
cmake_foss_2022a_full_mpi -3.083677080000000e+00 -3.000000003972048e-07 -6.000000007944094e-02 PASS
cmake_foss_2022a_min_mpi -3.083677080000000e+00 -3.000000003972048e-07 -6.000000007944094e-02 PASS