Match comparison for dipole 2-5 (match type 22081)

Commits > Commit 1f10c93c74388b17aea6526c581521be8cd6aa14 > Input 13-primitive.01-diamond.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
7.127880204880001e-01 7.280000000000000e-01 6.655711950362593e-01 2.910651796409914e-01 7.080361805885000e-01 6.721719075515000e-01 PASS

Checks for this match

  • GPU builders have different values.
  • Precision seems too large.
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Detailed information

Reference: 0.712788020488, precision: 0.728
Run Value Difference Relative difference Status
cmake_foss_2022a_min_serial 7.283804232300000e-01 1.559240274199991e-02 2.141813563461526e-02 PASS
cmake_foss_2022a_full_serial 7.283804232300000e-01 1.559240274199991e-02 2.141813563461526e-02 PASS
spack_foss-2022a_serial_min 7.283804232300000e-01 1.559240274199991e-02 2.141813563461526e-02 PASS
cmake_foss_2022a_min_mpi 6.997725767080000e-01 -1.301544378000008e-02 -1.787835684065945e-02 PASS
spack_foss-2022a_ppc 5.025122911100000e-01 -2.102757293780001e-01 -2.888402876071430e-01 PASS
spack_foss-2022a_serial 7.283804232300000e-01 1.559240274199991e-02 2.141813563461526e-02 PASS
cmake_foss_2022a_full_mpi 6.997725767080000e-01 -1.301544378000008e-02 -1.787835684065945e-02 PASS
spack_foss-2022a_mpi_min 6.997725767080000e-01 -1.301544378000008e-02 -1.787835684065945e-02 PASS
spack_foss-2022a_mpi 6.997725767080000e-01 -1.301544378000008e-02 -1.787835684065945e-02 PASS
spack_foss-2023a_mpi 6.997725767080000e-01 -1.301544378000008e-02 -1.787835684065945e-02 PASS
spack_foss-2023a_mpi_min 6.997725767080000e-01 -1.301544378000008e-02 -1.787835684065945e-02 PASS
spack_foss-2023a_serial 7.283804232300000e-01 1.559240274199991e-02 2.141813563461526e-02 PASS
spack_foss-2023a_mpi_opt 6.997725767080000e-01 -1.301544378000008e-02 -1.787835684065945e-02 PASS
spack_foss-2023a_mpi_debug 6.997725767080000e-01 -1.301544378000008e-02 -1.787835684065945e-02 PASS
spack_foss-2023a_serial_debug 7.283804232300000e-01 1.559240274199991e-02 2.141813563461526e-02 PASS
spack_foss-2023a_serial_min 7.283804232300000e-01 1.559240274199991e-02 2.141813563461526e-02 PASS
spack_foss-2022a_cuda_serial 1.380208088140000e+00 6.674200676520000e-01 9.167858072142857e-01 PASS
spack_foss-2023a_mpi_omp 7.033313728700000e-01 -9.456647618000025e-03 -1.298990057417586e-02 PASS
spack_foss-2023a_serial_opt 7.283804232300000e-01 1.559240274199991e-02 2.141813563461526e-02 PASS
spack_foss-2023a_serial_omp 7.052021919420000e-01 -7.585828546000095e-03 -1.042009415659354e-02 PASS
spack_foss-2023b_serial 7.283804232300000e-01 1.559240274199991e-02 2.141813563461526e-02 PASS
spack_foss-2022a_cuda_mpi_omp 1.375793689413000e+00 6.630056689250000e-01 9.107220726991758e-01 PASS
spack_intel-2023a_serial 4.961721971530000e-01 -2.166158233350001e-01 -2.975492078777474e-01 PASS
spack_intel-2022a_serial_omp 3.586427303700000e-02 -6.769237474510000e-01 -9.298403124326924e-01 PASS
spack_intel-2023a_serial_omp 4.810587720300000e-02 -6.646821432850001e-01 -9.130249220947804e-01 PASS
spack_intel-2023a_impi 5.099799930550000e-01 -2.028080274330001e-01 -2.785824552651100e-01 PASS
spack_intel-2022a_impi_omp 5.964786932200000e-02 -6.531401511660000e-01 -8.971705373159341e-01 PASS