Match comparison for Total energy (match type 28345)
Commits >
Commit ea6affb390844fd1d159151b43e705a091215c1a >
Input 09-basis_from_states.03-intersite.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -4.175812929000000e+01 | 2.090000000000000e-07 | -4.175812927814815e+01 | 1.846659499689948e-08 | -4.175812929000000e+01 | 3.999999975690116e-08 | PASS |
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Detailed information
Reference: -41.75812929, precision: 0.000000209| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_serial_min | -4.175812926000000e+01 | 3.000000248221113e-08 | 1.435406817330676e-01 | PASS |
| spack_foss-2023a_serial_opt | -4.175812926000000e+01 | 3.000000248221113e-08 | 1.435406817330676e-01 | PASS |
| spack_foss-2023a_serial | -4.175812926000000e+01 | 3.000000248221113e-08 | 1.435406817330676e-01 | PASS |
| spack_foss-2023a_serial_min | -4.175812926000000e+01 | 3.000000248221113e-08 | 1.435406817330676e-01 | PASS |
| spack_foss-2023b_serial | -4.175812926000000e+01 | 3.000000248221113e-08 | 1.435406817330676e-01 | PASS |
| spack_foss-2022a_serial | -4.175812926000000e+01 | 3.000000248221113e-08 | 1.435406817330676e-01 | PASS |
| spack_foss-2022a_mpi_min | -4.175812929000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_ppc | -4.175812933000000e+01 | -4.000000330961484e-08 | -1.913875756440901e-01 | PASS |
| spack_foss-2023a_mpi_min | -4.175812929000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_serial_omp | -4.175812929000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_mpi | -4.175812929000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_mpi | -4.175812929000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_serial_debug | -4.175812926000000e+01 | 3.000000248221113e-08 | 1.435406817330676e-01 | PASS |
| spack_foss-2023a_mpi_debug | -4.175812929000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_mpi_omp | -4.175812929000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| cmake_foss_2022a_full_serial | -4.175812926000000e+01 | 3.000000248221113e-08 | 1.435406817330676e-01 | PASS |
| cmake_foss_2022a_min_serial | -4.175812926000000e+01 | 3.000000248221113e-08 | 1.435406817330676e-01 | PASS |
| cmake_foss_2022a_min_mpi | -4.175812927000000e+01 | 2.000000165480742e-08 | 9.569378782204507e-02 | PASS |
| cmake_foss_2022a_full_mpi | -4.175812929000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_intel-2023a_serial | -4.175812925000000e+01 | 3.999999620418748e-08 | 1.913875416468301e-01 | PASS |
| spack_intel-2022a_impi_omp | -4.175812927000000e+01 | 2.000000165480742e-08 | 9.569378782204507e-02 | PASS |
| spack_intel-2022a_serial_omp | -4.175812927000000e+01 | 2.000000165480742e-08 | 9.569378782204507e-02 | PASS |
| spack_intel-2023a_serial_omp | -4.175812931000000e+01 | -2.000000165480742e-08 | -9.569378782204507e-02 | PASS |
| spack_intel-2023a_impi | -4.175812928000000e+01 | 1.000000082740371e-08 | 4.784689391102254e-02 | PASS |
| spack_foss-2023a_mpi_opt | -4.175812929000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -4.175812929000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_cuda_serial | -4.175812929000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |