Match comparison for gga_x_optpbe_vdw Int[n*v_xc] (match type 12341)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -3.998924350000000e-01 | 4.760000000000000e-06 | -3.998961096296296e-01 | 2.266925608542124e-06 | -3.998924250000000e-01 | 4.345000000016697e-06 | PASS |
Checks for this match
- GPU builders have different values.
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Detailed information
Reference: -0.39989243500000005, precision: 0.00000476| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | -3.998967400000000e-01 | -4.304999999926729e-06 | -9.044117646904891e-01 | PASS |
| spack_foss-2022a_serial_min | -3.998967400000000e-01 | -4.304999999926729e-06 | -9.044117646904891e-01 | PASS |
| foss-2022a_ppc | -3.998967400000000e-01 | -4.304999999926729e-06 | -9.044117646904891e-01 | PASS |
| spack_foss-2022a_serial_opt | -3.998967400000000e-01 | -4.304999999926729e-06 | -9.044117646904891e-01 | PASS |
| spack_foss-2022a_serial | -3.998967400000000e-01 | -4.304999999926729e-06 | -9.044117646904891e-01 | PASS |
| foss-2022a_opt | -3.998967400000000e-01 | -4.304999999926729e-06 | -9.044117646904891e-01 | PASS |
| intel-2022b | -3.998967400000000e-01 | -4.304999999926729e-06 | -9.044117646904891e-01 | PASS |
| intel-2022a | -3.998967400000000e-01 | -4.304999999926729e-06 | -9.044117646904891e-01 | PASS |
| spack_foss-2022a_serial_omp | -3.998967400000000e-01 | -4.304999999926729e-06 | -9.044117646904891e-01 | PASS |
| cmake_foss_2022a_full_mpi | -3.998967700000000e-01 | -4.334999999966449e-06 | -9.107142857072371e-01 | PASS |
| spack_foss-2022a_serial_debug | -3.998967400000000e-01 | -4.304999999926729e-06 | -9.044117646904891e-01 | PASS |
| foss-2022a_omp | -3.998967400000000e-01 | -4.304999999926729e-06 | -9.044117646904891e-01 | PASS |
| intel-2022a_omp | -3.998967400000000e-01 | -4.304999999926729e-06 | -9.044117646904891e-01 | PASS |
| intel-2022b_impi | -3.998967700000000e-01 | -4.334999999966449e-06 | -9.107142857072371e-01 | PASS |
| intel-2022a_impi | -3.998967700000000e-01 | -4.334999999966449e-06 | -9.107142857072371e-01 | PASS |
| eb_fosscuda-2022a_mpi_omp | -3.998881100000000e-01 | 4.325000000027224e-06 | 9.086134453838705e-01 | PASS |
| eb_fosscuda-2022a | -3.998880800000000e-01 | 4.355000000066944e-06 | 9.149159664006185e-01 | PASS |
| cmake_foss_2022a_min_serial | -3.998967400000000e-01 | -4.304999999926729e-06 | -9.044117646904891e-01 | PASS |
| foss-2022a_mpi_omp | -3.998967700000000e-01 | -4.334999999966449e-06 | -9.107142857072371e-01 | PASS |
| cmake_foss_2022a_min_mpi | -3.998967700000000e-01 | -4.334999999966449e-06 | -9.107142857072371e-01 | PASS |
| eb_foss-2022a | -3.998967400000000e-01 | -4.304999999926729e-06 | -9.044117646904891e-01 | PASS |
| eb_foss-2022b_libxc6 | -3.998967400000000e-01 | -4.304999999926729e-06 | -9.044117646904891e-01 | PASS |
| eb_foss-2022a_debug | -3.998967400000000e-01 | -4.304999999926729e-06 | -9.044117646904891e-01 | PASS |
| intel-2022a_omp_impi | -3.998967700000000e-01 | -4.334999999966449e-06 | -9.107142857072371e-01 | PASS |
| eb_foss-2022a_mpi | -3.998967700000000e-01 | -4.334999999966449e-06 | -9.107142857072371e-01 | PASS |
| eb_foss-2022b_libxc6_mpi | -3.998967700000000e-01 | -4.334999999966449e-06 | -9.107142857072371e-01 | PASS |
| eb_foss-2022a_mpi_debug | -3.998967700000000e-01 | -4.334999999966449e-06 | -9.107142857072371e-01 | PASS |