Match comparison for gga_x_mpw91 Exchange (match type 12332)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -3.203694350000000e-01 | 3.990000000000000e-06 | -3.203725103703703e-01 | 1.898003788552536e-06 | -3.203694250000000e-01 | 3.635000000001831e-06 | PASS |
Checks for this match
- GPU builders have different values.
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Detailed information
Reference: -0.320369435, precision: 0.00000399| Run | Value | Difference | Relative difference | Status |
| foss-2022a_ppc | -3.203730400000000e-01 | -3.605000000017622e-06 | -9.035087719342411e-01 | PASS |
| cmake_foss_2022a_full_serial | -3.203730400000000e-01 | -3.605000000017622e-06 | -9.035087719342411e-01 | PASS |
| cmake_foss_2022a_min_serial | -3.203730400000000e-01 | -3.605000000017622e-06 | -9.035087719342411e-01 | PASS |
| cmake_foss_2022a_full_mpi | -3.203730600000000e-01 | -3.625000000007095e-06 | -9.085213032599235e-01 | PASS |
| cmake_foss_2022a_min_mpi | -3.203730600000000e-01 | -3.625000000007095e-06 | -9.085213032599235e-01 | PASS |
| eb_foss-2022a | -3.203730400000000e-01 | -3.605000000017622e-06 | -9.035087719342411e-01 | PASS |
| eb_foss-2022b_libxc6 | -3.203730400000000e-01 | -3.605000000017622e-06 | -9.035087719342411e-01 | PASS |
| eb_foss-2022a_debug | -3.203730400000000e-01 | -3.605000000017622e-06 | -9.035087719342411e-01 | PASS |
| eb_foss-2022a_mpi | -3.203730600000000e-01 | -3.625000000007095e-06 | -9.085213032599235e-01 | PASS |
| eb_foss-2022b_libxc6_mpi | -3.203730600000000e-01 | -3.625000000007095e-06 | -9.085213032599235e-01 | PASS |
| foss-2022a_opt | -3.203730400000000e-01 | -3.605000000017622e-06 | -9.035087719342411e-01 | PASS |
| eb_foss-2022a_mpi_debug | -3.203730600000000e-01 | -3.625000000007095e-06 | -9.085213032599235e-01 | PASS |
| foss-2022a_omp | -3.203730400000000e-01 | -3.605000000017622e-06 | -9.035087719342411e-01 | PASS |
| intel-2022a | -3.203730400000000e-01 | -3.605000000017622e-06 | -9.035087719342411e-01 | PASS |
| intel-2022b | -3.203730400000000e-01 | -3.605000000017622e-06 | -9.035087719342411e-01 | PASS |
| spack_foss-2022a_serial | -3.203730400000000e-01 | -3.605000000017622e-06 | -9.035087719342411e-01 | PASS |
| intel-2022a_omp | -3.203730400000000e-01 | -3.605000000017622e-06 | -9.035087719342411e-01 | PASS |
| eb_fosscuda-2022a | -3.203657900000000e-01 | 3.644999999996568e-06 | 9.135338345856060e-01 | PASS |
| intel-2022a_impi | -3.203730600000000e-01 | -3.625000000007095e-06 | -9.085213032599235e-01 | PASS |
| spack_foss-2022a_serial_min | -3.203730400000000e-01 | -3.605000000017622e-06 | -9.035087719342411e-01 | PASS |
| spack_foss-2022a_serial_debug | -3.203730400000000e-01 | -3.605000000017622e-06 | -9.035087719342411e-01 | PASS |
| intel-2022b_impi | -3.203730600000000e-01 | -3.625000000007095e-06 | -9.085213032599235e-01 | PASS |
| foss-2022a_mpi_omp | -3.203730600000000e-01 | -3.625000000007095e-06 | -9.085213032599235e-01 | PASS |
| spack_foss-2022a_serial_opt | -3.203730400000000e-01 | -3.605000000017622e-06 | -9.035087719342411e-01 | PASS |
| spack_foss-2022a_serial_omp | -3.203730400000000e-01 | -3.605000000017622e-06 | -9.035087719342411e-01 | PASS |
| eb_fosscuda-2022a_mpi_omp | -3.203658100000000e-01 | 3.625000000007095e-06 | 9.085213032599235e-01 | PASS |
| intel-2022a_omp_impi | -3.203730600000000e-01 | -3.625000000007095e-06 | -9.085213032599235e-01 | PASS |