Match comparison for gga_x_g96 Int[n*v_xc] (match type 12317)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -4.082864750000000e-01 | 4.850000000000000e-06 | -4.082902162962962e-01 | 2.306970352756946e-06 | -4.082864650000000e-01 | 4.415000000007607e-06 | PASS |
Checks for this match
- GPU builders have different values.
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Detailed information
Reference: -0.40828647500000004, precision: 0.00000485| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_serial_min | -4.082908600000000e-01 | -4.384999999940131e-06 | -9.041237113278621e-01 | PASS |
| spack_foss-2022a_serial | -4.082908600000000e-01 | -4.384999999940131e-06 | -9.041237113278621e-01 | PASS |
| spack_foss-2022a_cuda_serial | -4.082820500000000e-01 | 4.425000000030099e-06 | 9.123711340268246e-01 | PASS |
| spack_foss-2022a_ppc | -4.082908600000000e-01 | -4.384999999940131e-06 | -9.041237113278621e-01 | PASS |
| cmake_foss_2022a_full_serial | -4.082908600000000e-01 | -4.384999999940131e-06 | -9.041237113278621e-01 | PASS |
| spack_foss-2022a_mpi_min | -4.082908800000000e-01 | -4.404999999985115e-06 | -9.082474226773434e-01 | PASS |
| spack_foss-2023a_mpi_min | -4.082908800000000e-01 | -4.404999999985115e-06 | -9.082474226773434e-01 | PASS |
| cmake_foss_2022a_min_serial | -4.082908600000000e-01 | -4.384999999940131e-06 | -9.041237113278621e-01 | PASS |
| spack_foss-2022a_mpi | -4.082908800000000e-01 | -4.404999999985115e-06 | -9.082474226773434e-01 | PASS |
| spack_foss-2023a_mpi | -4.082908800000000e-01 | -4.404999999985115e-06 | -9.082474226773434e-01 | PASS |
| spack_foss-2023a_serial | -4.082908600000000e-01 | -4.384999999940131e-06 | -9.041237113278621e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -4.082820700000000e-01 | 4.405000000040626e-06 | 9.082474226887889e-01 | PASS |
| spack_foss-2023a_mpi_debug | -4.082908800000000e-01 | -4.404999999985115e-06 | -9.082474226773434e-01 | PASS |
| spack_foss-2023a_mpi_opt | -4.082908800000000e-01 | -4.404999999985115e-06 | -9.082474226773434e-01 | PASS |
| spack_foss-2023a_serial_min | -4.082908600000000e-01 | -4.384999999940131e-06 | -9.041237113278621e-01 | PASS |
| spack_foss-2023a_serial_debug | -4.082908600000000e-01 | -4.384999999940131e-06 | -9.041237113278621e-01 | PASS |
| spack_foss-2023a_serial_opt | -4.082908600000000e-01 | -4.384999999940131e-06 | -9.041237113278621e-01 | PASS |
| spack_foss-2023a_mpi_omp | -4.082908800000000e-01 | -4.404999999985115e-06 | -9.082474226773434e-01 | PASS |
| spack_foss-2023b_serial | -4.082908600000000e-01 | -4.384999999940131e-06 | -9.041237113278621e-01 | PASS |
| spack_foss-2023a_serial_omp | -4.082908600000000e-01 | -4.384999999940131e-06 | -9.041237113278621e-01 | PASS |
| spack_intel-2023a_serial | -4.082908600000000e-01 | -4.384999999940131e-06 | -9.041237113278621e-01 | PASS |
| spack_intel-2022a_serial_omp | -4.082908600000000e-01 | -4.384999999940131e-06 | -9.041237113278621e-01 | PASS |
| spack_intel-2023a_serial_omp | -4.082908600000000e-01 | -4.384999999940131e-06 | -9.041237113278621e-01 | PASS |
| spack_intel-2022a_impi_omp | -4.082908800000000e-01 | -4.404999999985115e-06 | -9.082474226773434e-01 | PASS |
| spack_intel-2023a_impi | -4.082908800000000e-01 | -4.404999999985115e-06 | -9.082474226773434e-01 | PASS |
| cmake_foss_2022a_full_mpi | -4.082908800000000e-01 | -4.404999999985115e-06 | -9.082474226773434e-01 | PASS |
| cmake_foss_2022a_min_mpi | -4.082908800000000e-01 | -4.404999999985115e-06 | -9.082474226773434e-01 | PASS |