Match comparison for Bader value 1 (match type 22567)
Commits >
Commit eea8a333c8089a21a3b9f1d1480b55481f8cdee7 >
Input 08-symmetrization_mgga.01-spg3_sym.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -3.601189489308860e-02 | 6.140000000000000e-13 | -3.601189489254453e-02 | 6.600340351024166e-15 | -3.601189489253910e-02 | 1.349961809005151e-14 | PASS |
Checks for this match
- GPU builders have different values.
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: -0.0360118948930886, precision: 0.000000000000614| Run | Value | Difference | Relative difference | Status |
| spack_foss-2023a_serial_min | -3.601189489254490e-02 | 5.436970318406509e-13 | 8.855000518577376e-01 | PASS |
| spack_foss-2022a_serial_min | -3.601189489254490e-02 | 5.436970318406509e-13 | 8.855000518577376e-01 | PASS |
| spack_foss-2022a_serial | -3.601189489254490e-02 | 5.436970318406509e-13 | 8.855000518577376e-01 | PASS |
| spack_foss-2023a_serial_opt | -3.601189489254490e-02 | 5.436970318406509e-13 | 8.855000518577376e-01 | PASS |
| spack_foss-2023a_serial | -3.601189489254490e-02 | 5.436970318406509e-13 | 8.855000518577376e-01 | PASS |
| spack_foss-2023b_serial | -3.601189489254490e-02 | 5.436970318406509e-13 | 8.855000518577376e-01 | PASS |
| spack_foss-2022a_ppc | -3.601189489253120e-02 | 5.574013473008677e-13 | 9.078197838776346e-01 | PASS |
| spack_foss-2022a_mpi_min | -3.601189489254610e-02 | 5.424966031952749e-13 | 8.835449563440959e-01 | PASS |
| spack_foss-2023a_mpi_min | -3.601189489254610e-02 | 5.424966031952749e-13 | 8.835449563440959e-01 | PASS |
| spack_foss-2023a_serial_debug | -3.601189489254490e-02 | 5.436970318406509e-13 | 8.855000518577376e-01 | PASS |
| spack_foss-2023a_serial_omp | -3.601189489254350e-02 | 5.450986884092401e-13 | 8.877828801453422e-01 | PASS |
| spack_foss-2022a_cuda_serial | -3.601189489252560e-02 | 5.630010346813208e-13 | 9.169397958979166e-01 | PASS |
| spack_foss-2023a_mpi_opt | -3.601189489254610e-02 | 5.424966031952749e-13 | 8.835449563440959e-01 | PASS |
| spack_foss-2023a_mpi | -3.601189489254610e-02 | 5.424966031952749e-13 | 8.835449563440959e-01 | PASS |
| spack_foss-2022a_mpi | -3.601189489254610e-02 | 5.424966031952749e-13 | 8.835449563440959e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -3.601189489252660e-02 | 5.620018339591581e-13 | 9.153124331582380e-01 | PASS |
| spack_foss-2023a_mpi_debug | -3.601189489254610e-02 | 5.424966031952749e-13 | 8.835449563440959e-01 | PASS |
| spack_foss-2023a_mpi_omp | -3.601189489255150e-02 | 5.370981437380351e-13 | 8.747526770977770e-01 | PASS |
| cmake_foss_2022a_min_serial | -3.601189489254490e-02 | 5.436970318406509e-13 | 8.855000518577376e-01 | PASS |
| cmake_foss_2022a_full_serial | -3.601189489254490e-02 | 5.436970318406509e-13 | 8.855000518577376e-01 | PASS |
| cmake_foss_2022a_min_mpi | -3.601189489254610e-02 | 5.424966031952749e-13 | 8.835449563440959e-01 | PASS |
| cmake_foss_2022a_full_mpi | -3.601189489254610e-02 | 5.424966031952749e-13 | 8.835449563440959e-01 | PASS |
| spack_intel-2022a_serial_omp | -3.601189489255150e-02 | 5.370981437380351e-13 | 8.747526770977770e-01 | PASS |
| spack_intel-2022a_impi_omp | -3.601189489255210e-02 | 5.365013988622991e-13 | 8.737807799060245e-01 | PASS |
| spack_intel-2023a_serial_omp | -3.601189489255030e-02 | 5.382985723834111e-13 | 8.767077726114186e-01 | PASS |
| spack_intel-2023a_impi | -3.601189489255260e-02 | 5.360017985012178e-13 | 8.729670985361853e-01 | PASS |