Match comparison for Int[n*v_xc] (match type 12855)

Commits > Commit f1dbe11076ccb3bb542605fe66566061d8720041 > Input 31-acetylene_b3lyp.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-4.369456449999999e+00 2.180000000000000e-07 -4.369456476153846e+00 2.516419455351216e-07 -4.369456515000000e+00 2.550000002266017e-07 FAIL

Checks for this match

  • MPI builders have different values.
  • Mid point of values far away from reference. Recentering may be necessary.
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Detailed information

Reference: -4.3694564499999995, precision: 0.000000218
Run Value Difference Relative difference Status
spack_foss-2022a_ppc -4.369456260000000e+00 1.899999997334589e-07 8.715596318048575e-01 PASS
cmake_foss_2022a_full_serial -4.369456260000000e+00 1.899999997334589e-07 8.715596318048575e-01 PASS
cmake_foss_2022a_min_serial -4.369456260000000e+00 1.899999997334589e-07 8.715596318048575e-01 PASS
cmake_foss_2022a_min_mpi -4.369456770000000e+00 -3.200000007197445e-07 -1.467889911558461e+00 FAIL
cmake_foss_2022a_full_mpi -4.369456770000000e+00 -3.200000007197445e-07 -1.467889911558461e+00 FAIL
spack_foss-2022a_serial_min -4.369456260000000e+00 1.899999997334589e-07 8.715596318048575e-01 PASS
spack_foss-2022a_serial -4.369456260000000e+00 1.899999997334589e-07 8.715596318048575e-01 PASS
spack_foss-2022a_mpi_min -4.369456770000000e+00 -3.200000007197445e-07 -1.467889911558461e+00 FAIL
spack_foss-2022a_mpi -4.369456770000000e+00 -3.200000007197445e-07 -1.467889911558461e+00 FAIL
spack_foss-2023a_mpi -4.369456770000000e+00 -3.200000007197445e-07 -1.467889911558461e+00 FAIL
spack_foss-2023a_mpi_min -4.369456770000000e+00 -3.200000007197445e-07 -1.467889911558461e+00 FAIL
spack_foss-2023a_mpi_debug -4.369456770000000e+00 -3.200000007197445e-07 -1.467889911558461e+00 FAIL
spack_foss-2023a_serial -4.369456260000000e+00 1.899999997334589e-07 8.715596318048575e-01 PASS
spack_foss-2023a_serial_min -4.369456260000000e+00 1.899999997334589e-07 8.715596318048575e-01 PASS
spack_foss-2022a_cuda_serial -4.369456260000000e+00 1.899999997334589e-07 8.715596318048575e-01 PASS
spack_foss-2023a_mpi_opt -4.369456770000000e+00 -3.200000007197445e-07 -1.467889911558461e+00 FAIL
spack_foss-2023a_serial_debug -4.369456260000000e+00 1.899999997334589e-07 8.715596318048575e-01 PASS
spack_foss-2023a_serial_opt -4.369456260000000e+00 1.899999997334589e-07 8.715596318048575e-01 PASS
spack_foss-2023b_serial -4.369456260000000e+00 1.899999997334589e-07 8.715596318048575e-01 PASS
spack_foss-2023a_serial_omp -4.369456260000000e+00 1.899999997334589e-07 8.715596318048575e-01 PASS
spack_foss-2023a_mpi_omp -4.369456770000000e+00 -3.200000007197445e-07 -1.467889911558461e+00 FAIL
spack_intel-2023a_serial -4.369456270000000e+00 1.799999997942336e-07 8.256880724506130e-01 PASS
spack_intel-2022a_serial_omp -4.369456260000000e+00 1.899999997334589e-07 8.715596318048575e-01 PASS
spack_intel-2023a_serial_omp -4.369456260000000e+00 1.899999997334589e-07 8.715596318048575e-01 PASS
spack_intel-2023a_impi -4.369456770000000e+00 -3.200000007197445e-07 -1.467889911558461e+00 FAIL
spack_intel-2022a_impi_omp -4.369456770000000e+00 -3.200000007197445e-07 -1.467889911558461e+00 FAIL