Match comparison for gga_x_pbek1_vdw Exchange (match type 12368)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -3.204033250000000e-01 | 4.020000000000000e-06 | -3.204064366666667e-01 | 1.916756519634470e-06 | -3.204033200000000e-01 | 3.670000000011164e-06 | PASS |
Checks for this match
- GPU builders have different values.
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Detailed information
Reference: -0.320403325, precision: 0.00000402| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_serial_min | -3.204069700000000e-01 | -3.644999999996568e-06 | -9.067164179095940e-01 | PASS |
| spack_foss-2023a_serial_min | -3.204069700000000e-01 | -3.644999999996568e-06 | -9.067164179095940e-01 | PASS |
| spack_foss-2022a_ppc | -3.204069700000000e-01 | -3.644999999996568e-06 | -9.067164179095940e-01 | PASS |
| spack_foss-2023a_serial | -3.204069700000000e-01 | -3.644999999996568e-06 | -9.067164179095940e-01 | PASS |
| spack_foss-2022a_serial | -3.204069700000000e-01 | -3.644999999996568e-06 | -9.067164179095940e-01 | PASS |
| spack_foss-2023a_serial_opt | -3.204069700000000e-01 | -3.644999999996568e-06 | -9.067164179095940e-01 | PASS |
| spack_foss-2023b_serial | -3.204069700000000e-01 | -3.644999999996568e-06 | -9.067164179095940e-01 | PASS |
| spack_foss-2023a_mpi_min | -3.204069900000000e-01 | -3.664999999986041e-06 | -9.116915422850848e-01 | PASS |
| spack_foss-2023a_serial_omp | -3.204069700000000e-01 | -3.644999999996568e-06 | -9.067164179095940e-01 | PASS |
| spack_intel-2022a_serial_omp | -3.204069700000000e-01 | -3.644999999996568e-06 | -9.067164179095940e-01 | PASS |
| spack_foss-2023a_mpi_opt | -3.204069900000000e-01 | -3.664999999986041e-06 | -9.116915422850848e-01 | PASS |
| spack_foss-2023a_serial_debug | -3.204069700000000e-01 | -3.644999999996568e-06 | -9.067164179095940e-01 | PASS |
| spack_foss-2023a_mpi | -3.204069900000000e-01 | -3.664999999986041e-06 | -9.116915422850848e-01 | PASS |
| cmake_foss_2022a_full_mpi | -3.204069900000000e-01 | -3.664999999986041e-06 | -9.116915422850848e-01 | PASS |
| spack_foss-2023a_mpi_debug | -3.204069900000000e-01 | -3.664999999986041e-06 | -9.116915422850848e-01 | PASS |
| spack_foss-2022a_cuda_serial | -3.203996500000000e-01 | 3.675000000036288e-06 | 9.141791044866390e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -3.203996700000000e-01 | 3.654999999991304e-06 | 9.092039800973394e-01 | PASS |
| spack_foss-2023a_mpi_omp | -3.204069900000000e-01 | -3.664999999986041e-06 | -9.116915422850848e-01 | PASS |
| cmake_foss_2022a_min_serial | -3.204069700000000e-01 | -3.644999999996568e-06 | -9.067164179095940e-01 | PASS |
| cmake_foss_2022a_full_serial | -3.204069700000000e-01 | -3.644999999996568e-06 | -9.067164179095940e-01 | PASS |
| cmake_foss_2022a_min_mpi | -3.204069900000000e-01 | -3.664999999986041e-06 | -9.116915422850848e-01 | PASS |
| spack_intel-2023a_serial | -3.204069700000000e-01 | -3.644999999996568e-06 | -9.067164179095940e-01 | PASS |
| spack_foss-2022a_mpi_min | -3.204069900000000e-01 | -3.664999999986041e-06 | -9.116915422850848e-01 | PASS |
| spack_intel-2022a_impi_omp | -3.204069900000000e-01 | -3.664999999986041e-06 | -9.116915422850848e-01 | PASS |
| spack_foss-2022a_mpi | -3.204069900000000e-01 | -3.664999999986041e-06 | -9.116915422850848e-01 | PASS |
| spack_intel-2023a_serial_omp | -3.204069700000000e-01 | -3.644999999996568e-06 | -9.067164179095940e-01 | PASS |
| spack_intel-2023a_impi | -3.204069900000000e-01 | -3.664999999986041e-06 | -9.116915422850848e-01 | PASS |