Match comparison for PBE0 Fock Int[n*v_xc] (match type 12506)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -3.236457000000000e-01 | 3.840000000000000e-06 | -3.236486674074073e-01 | 1.827851587684920e-06 | -3.236456950000000e-01 | 3.494999999992254e-06 | PASS |
Checks for this match
- GPU builders have different values.
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Detailed information
Reference: -0.3236457, precision: 0.00000384| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | -3.236491800000000e-01 | -3.480000000000150e-06 | -9.062500000000391e-01 | PASS |
| spack_foss-2022a_serial_min | -3.236491800000000e-01 | -3.480000000000150e-06 | -9.062500000000391e-01 | PASS |
| spack_foss-2023a_serial_min | -3.236491800000000e-01 | -3.480000000000150e-06 | -9.062500000000391e-01 | PASS |
| spack_foss-2023a_serial | -3.236491800000000e-01 | -3.480000000000150e-06 | -9.062500000000391e-01 | PASS |
| spack_foss-2022a_serial | -3.236491800000000e-01 | -3.480000000000150e-06 | -9.062500000000391e-01 | PASS |
| spack_foss-2022a_ppc | -3.236491800000000e-01 | -3.480000000000150e-06 | -9.062500000000391e-01 | PASS |
| cmake_foss_2022a_min_serial | -3.236491800000000e-01 | -3.480000000000150e-06 | -9.062500000000391e-01 | PASS |
| cmake_foss_2022a_min_mpi | -3.236491900000000e-01 | -3.489999999994886e-06 | -9.088541666653350e-01 | PASS |
| spack_foss-2023a_mpi_min | -3.236491900000000e-01 | -3.489999999994886e-06 | -9.088541666653350e-01 | PASS |
| spack_foss-2022a_mpi_min | -3.236491900000000e-01 | -3.489999999994886e-06 | -9.088541666653350e-01 | PASS |
| cmake_foss_2022a_full_mpi | -3.236491900000000e-01 | -3.489999999994886e-06 | -9.088541666653350e-01 | PASS |
| spack_foss-2023a_serial_debug | -3.236491800000000e-01 | -3.480000000000150e-06 | -9.062500000000391e-01 | PASS |
| spack_foss-2023a_mpi_opt | -3.236491900000000e-01 | -3.489999999994886e-06 | -9.088541666653350e-01 | PASS |
| spack_foss-2022a_mpi | -3.236491900000000e-01 | -3.489999999994886e-06 | -9.088541666653350e-01 | PASS |
| spack_foss-2023a_mpi | -3.236491900000000e-01 | -3.489999999994886e-06 | -9.088541666653350e-01 | PASS |
| spack_foss-2022a_cuda_serial | -3.236422000000000e-01 | 3.499999999989623e-06 | 9.114583333306310e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -3.236422100000000e-01 | 3.489999999994886e-06 | 9.088541666653350e-01 | PASS |
| spack_foss-2023a_mpi_debug | -3.236491900000000e-01 | -3.489999999994886e-06 | -9.088541666653350e-01 | PASS |
| spack_foss-2023a_mpi_omp | -3.236491900000000e-01 | -3.489999999994886e-06 | -9.088541666653350e-01 | PASS |
| spack_foss-2023a_serial_opt | -3.236491800000000e-01 | -3.480000000000150e-06 | -9.062500000000391e-01 | PASS |
| spack_foss-2023b_serial | -3.236491800000000e-01 | -3.480000000000150e-06 | -9.062500000000391e-01 | PASS |
| spack_foss-2023a_serial_omp | -3.236491800000000e-01 | -3.480000000000150e-06 | -9.062500000000391e-01 | PASS |
| spack_intel-2023a_serial | -3.236491800000000e-01 | -3.480000000000150e-06 | -9.062500000000391e-01 | PASS |
| spack_intel-2022a_serial_omp | -3.236491800000000e-01 | -3.480000000000150e-06 | -9.062500000000391e-01 | PASS |
| spack_intel-2023a_serial_omp | -3.236491800000000e-01 | -3.480000000000150e-06 | -9.062500000000391e-01 | PASS |
| spack_intel-2023a_impi | -3.236491900000000e-01 | -3.489999999994886e-06 | -9.088541666653350e-01 | PASS |
| spack_intel-2022a_impi_omp | -3.236491900000000e-01 | -3.489999999994886e-06 | -9.088541666653350e-01 | PASS |