Match comparison for gga_x_optpbe_vdw Exchange (match type 12340)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -3.146356050000000e-01 | 3.900000000000000e-06 | -3.146385926923076e-01 | 1.887292643100494e-06 | -3.146356000000000e-01 | 3.549999999991060e-06 | PASS |
Checks for this match
- GPU builders have different values.
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Detailed information
Reference: -0.314635605, precision: 0.0000039| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | -3.146391300000000e-01 | -3.525000000004219e-06 | -9.038461538472357e-01 | PASS |
| foss-2022a_ppc | -3.146391300000000e-01 | -3.525000000004219e-06 | -9.038461538472357e-01 | PASS |
| spack_foss-2022a_serial_min | -3.146391300000000e-01 | -3.525000000004219e-06 | -9.038461538472357e-01 | PASS |
| spack_foss-2022a_serial | -3.146391300000000e-01 | -3.525000000004219e-06 | -9.038461538472357e-01 | PASS |
| foss-2022a_opt | -3.146391300000000e-01 | -3.525000000004219e-06 | -9.038461538472357e-01 | PASS |
| intel-2022b | -3.146391300000000e-01 | -3.525000000004219e-06 | -9.038461538472357e-01 | PASS |
| cmake_foss_2022a_min_mpi | -3.146391500000000e-01 | -3.544999999993692e-06 | -9.089743589727416e-01 | PASS |
| intel-2022a | -3.146391300000000e-01 | -3.525000000004219e-06 | -9.038461538472357e-01 | PASS |
| cmake_foss_2022a_full_mpi | -3.146391500000000e-01 | -3.544999999993692e-06 | -9.089743589727416e-01 | PASS |
| spack_foss-2022a_serial_omp | -3.146391300000000e-01 | -3.525000000004219e-06 | -9.038461538472357e-01 | PASS |
| spack_foss-2022a_serial_debug | -3.146391300000000e-01 | -3.525000000004219e-06 | -9.038461538472357e-01 | PASS |
| foss-2022a_omp | -3.146391300000000e-01 | -3.525000000004219e-06 | -9.038461538472357e-01 | PASS |
| intel-2022a_omp | -3.146391300000000e-01 | -3.525000000004219e-06 | -9.038461538472357e-01 | PASS |
| intel-2022b_impi | -3.146391500000000e-01 | -3.544999999993692e-06 | -9.089743589727416e-01 | PASS |
| intel-2022a_impi | -3.146391500000000e-01 | -3.544999999993692e-06 | -9.089743589727416e-01 | PASS |
| cmake_foss_2022a_min_serial | -3.146391300000000e-01 | -3.525000000004219e-06 | -9.038461538472357e-01 | PASS |
| eb_fosscuda-2022a_mpi_omp | -3.146320600000000e-01 | 3.544999999993692e-06 | 9.089743589727416e-01 | PASS |
| eb_fosscuda-2022a | -3.146320500000000e-01 | 3.554999999988429e-06 | 9.115384615354946e-01 | PASS |
| foss-2022a_mpi_omp | -3.146391500000000e-01 | -3.544999999993692e-06 | -9.089743589727416e-01 | PASS |
| eb_foss-2022a | -3.146391300000000e-01 | -3.525000000004219e-06 | -9.038461538472357e-01 | PASS |
| eb_foss-2022b_libxc6 | -3.146391300000000e-01 | -3.525000000004219e-06 | -9.038461538472357e-01 | PASS |
| eb_foss-2022a_debug | -3.146391300000000e-01 | -3.525000000004219e-06 | -9.038461538472357e-01 | PASS |
| intel-2022a_omp_impi | -3.146391500000000e-01 | -3.544999999993692e-06 | -9.089743589727416e-01 | PASS |
| eb_foss-2022a_mpi | -3.146391500000000e-01 | -3.544999999993692e-06 | -9.089743589727416e-01 | PASS |
| eb_foss-2022b_libxc6_mpi | -3.146391500000000e-01 | -3.544999999993692e-06 | -9.089743589727416e-01 | PASS |
| eb_foss-2022a_mpi_debug | -3.146391500000000e-01 | -3.544999999993692e-06 | -9.089743589727416e-01 | PASS |