Match comparison for External energy (match type 29812)

Commits > Commit c7ac96946c926bee5c46ca4221093c1f60753f5a > Input 22-vdw_d3_stress.01-Be_hpc.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-2.648353308000000e+01 8.250000000000000e-07 -2.648353331000000e+01 3.603767870927768e-07 -2.648353308000000e+01 7.499999998827889e-07 PASS
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Detailed information

Reference: -26.48353308, precision: 0.000000825
Run Value Difference Relative difference Status
spack_foss-2022a_ppc -2.648353344000000e+01 -3.599999978121105e-07 -4.363636337116490e-01 PASS
spack_foss-2023a_mpi -2.648353338000000e+01 -2.999999999531155e-07 -3.636363635795340e-01 PASS
cmake_foss_2022a_full_mpi -2.648353338000000e+01 -2.999999999531155e-07 -3.636363635795340e-01 PASS
cmake_foss_2022a_min_serial -2.648353338000000e+01 -2.999999999531155e-07 -3.636363635795340e-01 PASS
cmake_foss_2022a_full_serial -2.648353338000000e+01 -2.999999999531155e-07 -3.636363635795340e-01 PASS
spack_foss-2023a_mpi_debug -2.648353338000000e+01 -2.999999999531155e-07 -3.636363635795340e-01 PASS
cmake_foss_2022a_min_mpi -2.648353338000000e+01 -2.999999999531155e-07 -3.636363635795340e-01 PASS
spack_foss-2022a_serial -2.648353338000000e+01 -2.999999999531155e-07 -3.636363635795340e-01 PASS
spack_foss-2022a_serial_min -2.648353338000000e+01 -2.999999999531155e-07 -3.636363635795340e-01 PASS
spack_foss-2022a_mpi -2.648353338000000e+01 -2.999999999531155e-07 -3.636363635795340e-01 PASS
spack_foss-2022a_mpi_min -2.648353338000000e+01 -2.999999999531155e-07 -3.636363635795340e-01 PASS
spack_foss-2023a_mpi_min -2.648353338000000e+01 -2.999999999531155e-07 -3.636363635795340e-01 PASS
spack_foss-2023a_mpi_opt -2.648353338000000e+01 -2.999999999531155e-07 -3.636363635795340e-01 PASS
spack_foss-2023a_serial -2.648353338000000e+01 -2.999999999531155e-07 -3.636363635795340e-01 PASS
spack_foss-2023a_serial_min -2.648353338000000e+01 -2.999999999531155e-07 -3.636363635795340e-01 PASS
spack_foss-2023a_serial_debug -2.648353338000000e+01 -2.999999999531155e-07 -3.636363635795340e-01 PASS
spack_foss-2022a_cuda_mpi_omp -2.648353336000000e+01 -2.799999982983081e-07 -3.393939373312825e-01 PASS
spack_foss-2023a_serial_opt -2.648353338000000e+01 -2.999999999531155e-07 -3.636363635795340e-01 PASS
spack_foss-2023a_serial_omp -2.648353338000000e+01 -2.999999999531155e-07 -3.636363635795340e-01 PASS
spack_foss-2022a_cuda_serial -2.648353336000000e+01 -2.799999982983081e-07 -3.393939373312825e-01 PASS
spack_foss-2023a_mpi_omp -2.648353338000000e+01 -2.999999999531155e-07 -3.636363635795340e-01 PASS
spack_foss-2023b_serial -2.648353338000000e+01 -2.999999999531155e-07 -3.636363635795340e-01 PASS
spack_intel-2023a_serial -2.648353374000000e+01 -6.599999977652260e-07 -7.999999972911830e-01 PASS
spack_intel-2022a_serial_omp -2.648353233000000e+01 7.500000016591457e-07 9.090909111019948e-01 PASS
spack_intel-2023a_serial_omp -2.648353233000000e+01 7.500000016591457e-07 9.090909111019948e-01 PASS
spack_intel-2023a_impi -2.648353374000000e+01 -6.599999977652260e-07 -7.999999972911830e-01 PASS
spack_intel-2022a_impi_omp -2.648353233000000e+01 7.500000016591457e-07 9.090909111019948e-01 PASS
spack_foss-2023a_valgrind -2.648353383000000e+01 -7.499999981064320e-07 -9.090909067956752e-01 PASS