Match comparison for Total Energy (match type 29230)
Commits >
Commit 3f59639a2c09960e9ce8b923e2789a20396f5ecf >
Input 21-qedft-breit-3d.02-pxlda-helium.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -2.842074580000000e+00 | 3.000000000000000e-14 | -2.842074580000000e+00 | 0.000000000000000e+00 | -2.842074580000000e+00 | 0.000000000000000e+00 | PASS |
Checks do not indicate problems with this match.
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Detailed information
Reference: -2.8420745800000002, precision: 0.00000000000003| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_serial_min | -2.842074580000000e+00 | 4.440892098500626e-16 | 1.480297366166876e-02 | PASS |
| spack_foss-2023a_serial_min | -2.842074580000000e+00 | 4.440892098500626e-16 | 1.480297366166876e-02 | PASS |
| spack_foss-2022a_serial | -2.842074580000000e+00 | 4.440892098500626e-16 | 1.480297366166876e-02 | PASS |
| spack_foss-2023a_serial | -2.842074580000000e+00 | 4.440892098500626e-16 | 1.480297366166876e-02 | PASS |
| cmake_foss_2022a_full_serial | -2.842074580000000e+00 | 4.440892098500626e-16 | 1.480297366166876e-02 | PASS |
| spack_foss-2022a_ppc | -2.842074580000000e+00 | 4.440892098500626e-16 | 1.480297366166876e-02 | PASS |
| spack_foss-2023a_mpi_min | -2.842074580000000e+00 | 4.440892098500626e-16 | 1.480297366166876e-02 | PASS |
| spack_foss-2022a_mpi_min | -2.842074580000000e+00 | 4.440892098500626e-16 | 1.480297366166876e-02 | PASS |
| cmake_foss_2022a_full_mpi | -2.842074580000000e+00 | 4.440892098500626e-16 | 1.480297366166876e-02 | PASS |
| spack_foss-2023a_serial_debug | -2.842074580000000e+00 | 4.440892098500626e-16 | 1.480297366166876e-02 | PASS |
| spack_foss-2023a_mpi_opt | -2.842074580000000e+00 | 4.440892098500626e-16 | 1.480297366166876e-02 | PASS |
| spack_foss-2022a_mpi | -2.842074580000000e+00 | 4.440892098500626e-16 | 1.480297366166876e-02 | PASS |
| spack_foss-2023a_mpi | -2.842074580000000e+00 | 4.440892098500626e-16 | 1.480297366166876e-02 | PASS |
| spack_foss-2022a_cuda_serial | -2.842074580000000e+00 | 4.440892098500626e-16 | 1.480297366166876e-02 | PASS |
| cmake_foss_2022a_min_mpi | -2.842074580000000e+00 | 4.440892098500626e-16 | 1.480297366166876e-02 | PASS |
| spack_foss-2023a_mpi_debug | -2.842074580000000e+00 | 4.440892098500626e-16 | 1.480297366166876e-02 | PASS |
| spack_foss-2023a_mpi_omp | -2.842074580000000e+00 | 4.440892098500626e-16 | 1.480297366166876e-02 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -2.842074580000000e+00 | 4.440892098500626e-16 | 1.480297366166876e-02 | PASS |
| cmake_foss_2022a_min_serial | -2.842074580000000e+00 | 4.440892098500626e-16 | 1.480297366166876e-02 | PASS |
| spack_foss-2023a_serial_opt | -2.842074580000000e+00 | 4.440892098500626e-16 | 1.480297366166876e-02 | PASS |
| spack_foss-2023b_serial | -2.842074580000000e+00 | 4.440892098500626e-16 | 1.480297366166876e-02 | PASS |
| spack_foss-2023a_serial_omp | -2.842074580000000e+00 | 4.440892098500626e-16 | 1.480297366166876e-02 | PASS |
| spack_intel-2023a_serial | -2.842074580000000e+00 | 4.440892098500626e-16 | 1.480297366166876e-02 | PASS |
| spack_intel-2022a_serial_omp | -2.842074580000000e+00 | 4.440892098500626e-16 | 1.480297366166876e-02 | PASS |
| spack_intel-2023a_serial_omp | -2.842074580000000e+00 | 4.440892098500626e-16 | 1.480297366166876e-02 | PASS |
| spack_intel-2023a_impi | -2.842074580000000e+00 | 4.440892098500626e-16 | 1.480297366166876e-02 | PASS |
| spack_intel-2022a_impi_omp | -2.842074580000000e+00 | 4.440892098500626e-16 | 1.480297366166876e-02 | PASS |
| spack_foss-2023a_valgrind | -2.842074580000000e+00 | 4.440892098500626e-16 | 1.480297366166876e-02 | PASS |