Match comparison for Eigenvalues sum (match type 12853)

Commits > Commit dd0acda4415b0ab64c529ca4a26922f9782edb94 > Input 31-acetylene_b3lyp.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-4.815992680000000e+00 2.410000000000000e-07 -4.815992653846154e+00 1.679761181931247e-07 -4.815992680000000e+00 1.699999998550084e-07 PASS

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Detailed information

Reference: -4.81599268, precision: 0.000000241
Run Value Difference Relative difference Status
cmake_foss_2022a_full_serial -4.815992510000000e+00 1.699999998550084e-07 7.053941902697443e-01 PASS
spack_foss-2022a_ppc -4.815992510000000e+00 1.699999998550084e-07 7.053941902697443e-01 PASS
cmake_foss_2022a_min_serial -4.815992510000000e+00 1.699999998550084e-07 7.053941902697443e-01 PASS
cmake_foss_2022a_min_mpi -4.815992850000000e+00 -1.699999998550084e-07 -7.053941902697443e-01 PASS
cmake_foss_2022a_full_mpi -4.815992850000000e+00 -1.699999998550084e-07 -7.053941902697443e-01 PASS
spack_foss-2022a_mpi_min -4.815992850000000e+00 -1.699999998550084e-07 -7.053941902697443e-01 PASS
spack_foss-2022a_mpi -4.815992850000000e+00 -1.699999998550084e-07 -7.053941902697443e-01 PASS
spack_foss-2022a_serial -4.815992510000000e+00 1.699999998550084e-07 7.053941902697443e-01 PASS
spack_foss-2022a_serial_min -4.815992510000000e+00 1.699999998550084e-07 7.053941902697443e-01 PASS
spack_foss-2023a_mpi -4.815992850000000e+00 -1.699999998550084e-07 -7.053941902697443e-01 PASS
spack_foss-2023a_mpi_min -4.815992850000000e+00 -1.699999998550084e-07 -7.053941902697443e-01 PASS
spack_foss-2023a_serial_min -4.815992510000000e+00 1.699999998550084e-07 7.053941902697443e-01 PASS
spack_foss-2023a_serial -4.815992510000000e+00 1.699999998550084e-07 7.053941902697443e-01 PASS
spack_foss-2023a_mpi_opt -4.815992850000000e+00 -1.699999998550084e-07 -7.053941902697443e-01 PASS
spack_foss-2023a_mpi_debug -4.815992850000000e+00 -1.699999998550084e-07 -7.053941902697443e-01 PASS
spack_foss-2023a_serial_opt -4.815992510000000e+00 1.699999998550084e-07 7.053941902697443e-01 PASS
spack_foss-2023b_serial -4.815992510000000e+00 1.699999998550084e-07 7.053941902697443e-01 PASS
spack_foss-2023a_serial_debug -4.815992510000000e+00 1.699999998550084e-07 7.053941902697443e-01 PASS
spack_foss-2023a_serial_omp -4.815992510000000e+00 1.699999998550084e-07 7.053941902697443e-01 PASS
spack_intel-2022a_serial_omp -4.815992510000000e+00 1.699999998550084e-07 7.053941902697443e-01 PASS
spack_foss-2023a_mpi_omp -4.815992850000000e+00 -1.699999998550084e-07 -7.053941902697443e-01 PASS
spack_intel-2023a_serial -4.815992510000000e+00 1.699999998550084e-07 7.053941902697443e-01 PASS
spack_intel-2023a_impi -4.815992850000000e+00 -1.699999998550084e-07 -7.053941902697443e-01 PASS
spack_intel-2023a_serial_omp -4.815992510000000e+00 1.699999998550084e-07 7.053941902697443e-01 PASS
spack_intel-2022a_impi_omp -4.815992850000000e+00 -1.699999998550084e-07 -7.053941902697443e-01 PASS
spack_foss-2022a_cuda_serial -4.815992510000000e+00 1.699999998550084e-07 7.053941902697443e-01 PASS