Match comparison for gga_x_optb88_vdw Exchange (match type 12336)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -3.141797550000000e-01 | 3.840000000000000e-06 | -3.141827303703704e-01 | 1.832952448277133e-06 | -3.141797500000000e-01 | 3.510000000012115e-06 | PASS |
Checks for this match
- GPU builders have different values.
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Detailed information
Reference: -0.314179755, precision: 0.00000384| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_serial_min | -3.141832400000000e-01 | -3.484999999969762e-06 | -9.075520833254590e-01 | PASS |
| cmake_foss_2022a_full_serial | -3.141832400000000e-01 | -3.484999999969762e-06 | -9.075520833254590e-01 | PASS |
| spack_foss-2022a_serial | -3.141832400000000e-01 | -3.484999999969762e-06 | -9.075520833254590e-01 | PASS |
| spack_foss-2022a_ppc | -3.141832400000000e-01 | -3.484999999969762e-06 | -9.075520833254590e-01 | PASS |
| spack_foss-2023a_mpi_min | -3.141832600000000e-01 | -3.505000000014746e-06 | -9.127604166705069e-01 | PASS |
| cmake_foss_2022a_min_serial | -3.141832400000000e-01 | -3.484999999969762e-06 | -9.075520833254590e-01 | PASS |
| spack_foss-2022a_mpi_min | -3.141832600000000e-01 | -3.505000000014746e-06 | -9.127604166705069e-01 | PASS |
| spack_foss-2023a_mpi | -3.141832600000000e-01 | -3.505000000014746e-06 | -9.127604166705069e-01 | PASS |
| cmake_foss_2022a_full_mpi | -3.141832600000000e-01 | -3.505000000014746e-06 | -9.127604166705069e-01 | PASS |
| spack_foss-2022a_mpi | -3.141832600000000e-01 | -3.505000000014746e-06 | -9.127604166705069e-01 | PASS |
| cmake_foss_2022a_min_mpi | -3.141832600000000e-01 | -3.505000000014746e-06 | -9.127604166705069e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -3.141762600000000e-01 | 3.495000000020010e-06 | 9.101562500052109e-01 | PASS |
| spack_foss-2023a_mpi_debug | -3.141832600000000e-01 | -3.505000000014746e-06 | -9.127604166705069e-01 | PASS |
| spack_foss-2023a_serial | -3.141832400000000e-01 | -3.484999999969762e-06 | -9.075520833254590e-01 | PASS |
| spack_foss-2023a_mpi_opt | -3.141832600000000e-01 | -3.505000000014746e-06 | -9.127604166705069e-01 | PASS |
| spack_foss-2022a_cuda_serial | -3.141762400000000e-01 | 3.515000000009483e-06 | 9.153645833358028e-01 | PASS |
| spack_foss-2023a_serial_debug | -3.141832400000000e-01 | -3.484999999969762e-06 | -9.075520833254590e-01 | PASS |
| spack_foss-2023a_serial_min | -3.141832400000000e-01 | -3.484999999969762e-06 | -9.075520833254590e-01 | PASS |
| spack_foss-2023a_serial_opt | -3.141832400000000e-01 | -3.484999999969762e-06 | -9.075520833254590e-01 | PASS |
| spack_foss-2023a_mpi_omp | -3.141832600000000e-01 | -3.505000000014746e-06 | -9.127604166705069e-01 | PASS |
| spack_foss-2023b_serial | -3.141832400000000e-01 | -3.484999999969762e-06 | -9.075520833254590e-01 | PASS |
| spack_foss-2023a_serial_omp | -3.141832400000000e-01 | -3.484999999969762e-06 | -9.075520833254590e-01 | PASS |
| spack_intel-2023a_serial | -3.141832400000000e-01 | -3.484999999969762e-06 | -9.075520833254590e-01 | PASS |
| spack_intel-2022a_serial_omp | -3.141832400000000e-01 | -3.484999999969762e-06 | -9.075520833254590e-01 | PASS |
| spack_intel-2023a_serial_omp | -3.141832400000000e-01 | -3.484999999969762e-06 | -9.075520833254590e-01 | PASS |
| spack_intel-2023a_impi | -3.141832600000000e-01 | -3.505000000014746e-06 | -9.127604166705069e-01 | PASS |
| spack_intel-2022a_impi_omp | -3.141832600000000e-01 | -3.505000000014746e-06 | -9.127604166705069e-01 | PASS |