Match comparison for Hartree energy (match type 28348)
Commits >
Commit 08b73ec86c1ce3969ff61040f8f54a592910f9b6 >
Input 09-basis_from_states.03-intersite.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 1.213560690000000e+01 | 6.070000000000000e-07 | 1.213560690000000e+01 | 3.552713678800501e-15 | 1.213560690000000e+01 | 0.000000000000000e+00 | PASS |
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Detailed information
Reference: 12.135606899999999, precision: 0.000000607| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_ppc | 1.213560690000000e+01 | 1.776356839400250e-15 | 2.926452783196459e-09 | PASS |
| cmake_foss_2022a_full_mpi | 1.213560690000000e+01 | 1.776356839400250e-15 | 2.926452783196459e-09 | PASS |
| cmake_foss_2022a_full_serial | 1.213560690000000e+01 | 1.776356839400250e-15 | 2.926452783196459e-09 | PASS |
| cmake_foss_2022a_min_serial | 1.213560690000000e+01 | 1.776356839400250e-15 | 2.926452783196459e-09 | PASS |
| cmake_foss_2022a_min_mpi | 1.213560690000000e+01 | 1.776356839400250e-15 | 2.926452783196459e-09 | PASS |
| spack_foss-2022a_cuda_serial | 1.213560690000000e+01 | 1.776356839400250e-15 | 2.926452783196459e-09 | PASS |
| spack_foss-2022a_serial | 1.213560690000000e+01 | 1.776356839400250e-15 | 2.926452783196459e-09 | PASS |
| spack_foss-2022a_serial_min | 1.213560690000000e+01 | 1.776356839400250e-15 | 2.926452783196459e-09 | PASS |
| spack_foss-2022a_mpi_min | 1.213560690000000e+01 | 1.776356839400250e-15 | 2.926452783196459e-09 | PASS |
| spack_foss-2022a_mpi | 1.213560690000000e+01 | 1.776356839400250e-15 | 2.926452783196459e-09 | PASS |
| spack_foss-2022a_cuda_mpi_omp | 1.213560690000000e+01 | 1.776356839400250e-15 | 2.926452783196459e-09 | PASS |
| spack_foss-2023a_mpi_min | 1.213560690000000e+01 | 1.776356839400250e-15 | 2.926452783196459e-09 | PASS |
| spack_foss-2023a_mpi | 1.213560690000000e+01 | 1.776356839400250e-15 | 2.926452783196459e-09 | PASS |
| spack_foss-2023a_serial | 1.213560690000000e+01 | 1.776356839400250e-15 | 2.926452783196459e-09 | PASS |
| spack_foss-2023a_serial_min | 1.213560690000000e+01 | 1.776356839400250e-15 | 2.926452783196459e-09 | PASS |
| spack_foss-2023a_mpi_opt | 1.213560690000000e+01 | 1.776356839400250e-15 | 2.926452783196459e-09 | PASS |
| spack_foss-2023a_serial_opt | 1.213560690000000e+01 | 1.776356839400250e-15 | 2.926452783196459e-09 | PASS |
| spack_foss-2023a_serial_debug | 1.213560690000000e+01 | 1.776356839400250e-15 | 2.926452783196459e-09 | PASS |
| spack_foss-2023b_serial | 1.213560690000000e+01 | 1.776356839400250e-15 | 2.926452783196459e-09 | PASS |
| spack_foss-2023a_serial_omp | 1.213560690000000e+01 | 1.776356839400250e-15 | 2.926452783196459e-09 | PASS |
| spack_foss-2023a_mpi_omp | 1.213560690000000e+01 | 1.776356839400250e-15 | 2.926452783196459e-09 | PASS |
| spack_intel-2023a_serial | 1.213560690000000e+01 | 1.776356839400250e-15 | 2.926452783196459e-09 | PASS |
| spack_intel-2022a_serial_omp | 1.213560690000000e+01 | 1.776356839400250e-15 | 2.926452783196459e-09 | PASS |
| spack_intel-2023a_impi | 1.213560690000000e+01 | 1.776356839400250e-15 | 2.926452783196459e-09 | PASS |
| spack_intel-2023a_serial_omp | 1.213560690000000e+01 | 1.776356839400250e-15 | 2.926452783196459e-09 | PASS |
| spack_intel-2022a_impi_omp | 1.213560690000000e+01 | 1.776356839400250e-15 | 2.926452783196459e-09 | PASS |
| spack_foss-2023a_mpi_debug | 1.213560690000000e+01 | 1.776356839400250e-15 | 2.926452783196459e-09 | PASS |