Match comparison for PBE0 Fock Correlation (match type 12505)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -2.521371850000000e-01 | 3.100000000000000e-06 | -2.521395774074073e-01 | 1.474299815205202e-06 | -2.521371800000000e-01 | 2.819999999986722e-06 | PASS |
Checks for this match
- GPU builders have different values.
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Detailed information
Reference: -0.252137185, precision: 0.0000031| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_serial_min | -2.521399900000000e-01 | -2.804999999994617e-06 | -9.048387096756830e-01 | PASS |
| spack_foss-2023a_serial_min | -2.521399900000000e-01 | -2.804999999994617e-06 | -9.048387096756830e-01 | PASS |
| spack_foss-2022a_serial | -2.521399900000000e-01 | -2.804999999994617e-06 | -9.048387096756830e-01 | PASS |
| spack_foss-2023a_serial_opt | -2.521399900000000e-01 | -2.804999999994617e-06 | -9.048387096756830e-01 | PASS |
| spack_foss-2023a_serial | -2.521399900000000e-01 | -2.804999999994617e-06 | -9.048387096756830e-01 | PASS |
| spack_foss-2023b_serial | -2.521399900000000e-01 | -2.804999999994617e-06 | -9.048387096756830e-01 | PASS |
| spack_foss-2022a_ppc | -2.521399900000000e-01 | -2.804999999994617e-06 | -9.048387096756830e-01 | PASS |
| spack_foss-2023a_mpi_min | -2.521400000000000e-01 | -2.814999999989354e-06 | -9.080645161255980e-01 | PASS |
| spack_foss-2022a_mpi_min | -2.521400000000000e-01 | -2.814999999989354e-06 | -9.080645161255980e-01 | PASS |
| spack_foss-2022a_cuda_serial | -2.521343600000000e-01 | 2.824999999984090e-06 | 9.112903225755130e-01 | PASS |
| spack_foss-2023a_mpi_opt | -2.521400000000000e-01 | -2.814999999989354e-06 | -9.080645161255980e-01 | PASS |
| spack_foss-2023a_serial_omp | -2.521399900000000e-01 | -2.804999999994617e-06 | -9.048387096756830e-01 | PASS |
| spack_foss-2023a_serial_debug | -2.521399900000000e-01 | -2.804999999994617e-06 | -9.048387096756830e-01 | PASS |
| spack_foss-2022a_mpi | -2.521400000000000e-01 | -2.814999999989354e-06 | -9.080645161255980e-01 | PASS |
| spack_foss-2023a_mpi | -2.521400000000000e-01 | -2.814999999989354e-06 | -9.080645161255980e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -2.521343700000000e-01 | 2.814999999989354e-06 | 9.080645161255980e-01 | PASS |
| spack_foss-2023a_mpi_debug | -2.521400000000000e-01 | -2.814999999989354e-06 | -9.080645161255980e-01 | PASS |
| spack_foss-2023a_mpi_omp | -2.521400000000000e-01 | -2.814999999989354e-06 | -9.080645161255980e-01 | PASS |
| cmake_foss_2022a_min_serial | -2.521399900000000e-01 | -2.804999999994617e-06 | -9.048387096756830e-01 | PASS |
| cmake_foss_2022a_full_serial | -2.521399900000000e-01 | -2.804999999994617e-06 | -9.048387096756830e-01 | PASS |
| cmake_foss_2022a_min_mpi | -2.521400000000000e-01 | -2.814999999989354e-06 | -9.080645161255980e-01 | PASS |
| cmake_foss_2022a_full_mpi | -2.521400000000000e-01 | -2.814999999989354e-06 | -9.080645161255980e-01 | PASS |
| spack_intel-2023a_serial | -2.521399900000000e-01 | -2.804999999994617e-06 | -9.048387096756830e-01 | PASS |
| spack_intel-2022a_serial_omp | -2.521399900000000e-01 | -2.804999999994617e-06 | -9.048387096756830e-01 | PASS |
| spack_intel-2022a_impi_omp | -2.521400000000000e-01 | -2.814999999989354e-06 | -9.080645161255980e-01 | PASS |
| spack_intel-2023a_serial_omp | -2.521399900000000e-01 | -2.804999999994617e-06 | -9.048387096756830e-01 | PASS |
| spack_intel-2023a_impi | -2.521400000000000e-01 | -2.814999999989354e-06 | -9.080645161255980e-01 | PASS |