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

Commits > Commit dfb998a08bfe04488932b5e2d20d2b9995cc9a79 > Input 13-primitive.01-diamond.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
7.127880204880001e-01 7.280000000000000e-01 6.699967542696206e-01 2.415867653675025e-01 7.107587315005001e-01 6.650349579125000e-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
foss-2022a_ppc 5.216507256320000e-01 -1.911372948560001e-01 -2.625512291978023e-01 PASS
cmake_foss_2022a_full_serial 7.283804232300000e-01 1.559240274199991e-02 2.141813563461526e-02 PASS
foss-2022a_opt 7.039730987540000e-01 -8.814921734000003e-03 -1.210840897527473e-02 PASS
intel-2022a 5.052160506620000e-01 -2.075719698260000e-01 -2.851263321785715e-01 PASS
cmake_foss_2022a_full_mpi 6.997725767080000e-01 -1.301544378000008e-02 -1.787835684065945e-02 PASS
cmake_foss_2022a_min_serial 7.283804232300000e-01 1.559240274199991e-02 2.141813563461526e-02 PASS
foss-2022a_omp 7.010426880300000e-01 -1.174533245800002e-02 -1.613369843131872e-02 PASS
cmake_foss_2022a_min_mpi 6.997725767080000e-01 -1.301544378000008e-02 -1.787835684065945e-02 PASS
eb_fosscuda-2022a 1.363027206745000e+00 6.502391862569999e-01 8.931856954079670e-01 PASS
intel-2022a_impi 4.853498523390000e-01 -2.274381681490000e-01 -3.124150661387363e-01 PASS
eb_foss-2022a 7.039730987540000e-01 -8.814921734000003e-03 -1.210840897527473e-02 PASS
spack_foss-2022a_cuda_mpi_omp 1.375793689413000e+00 6.630056689250000e-01 9.107220726991758e-01 PASS
eb_foss-2022a_debug 7.039730987540000e-01 -8.814921734000003e-03 -1.210840897527473e-02 PASS
eb_foss-2022b_libxc6 4.206500476870000e-01 -2.921379728010001e-01 -4.012884241771979e-01 PASS
eb_foss-2022a_mpi 7.016176095300000e-01 -1.117041095800009e-02 -1.534397109615397e-02 PASS
foss-2022a_mpi_omp 6.959676410109999e-01 -1.682037947700010e-02 -2.310491686401113e-02 PASS
eb_foss-2022b_libxc6_mpi 4.359413363720000e-01 -2.768466841160001e-01 -3.802839067527473e-01 PASS
intel-2022b 5.052160506620000e-01 -2.075719698260000e-01 -2.851263321785715e-01 PASS
eb_foss-2022a_mpi_debug 7.016176095300000e-01 -1.117041095800009e-02 -1.534397109615397e-02 PASS
spack_foss-2022a_serial 7.283804232300000e-01 1.559240274199991e-02 2.141813563461526e-02 PASS
intel-2022a_omp 4.572377358800000e-02 -6.670642469000001e-01 -9.162970424450551e-01 PASS
spack_foss-2022a_mpi 6.997725767080000e-01 -1.301544378000008e-02 -1.787835684065945e-02 PASS
spack_foss-2022a_serial_debug 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
intel-2022b_impi 4.853498523390000e-01 -2.274381681490000e-01 -3.124150661387363e-01 PASS
spack_foss-2022a_serial_omp 7.052021919420000e-01 -7.585828546000095e-03 -1.042009415659354e-02 PASS
spack_foss-2022a_serial_opt 7.283804232300000e-01 1.559240274199991e-02 2.141813563461526e-02 PASS
spack_foss-2022a_mpi_omp 7.033313728700000e-01 -9.456647618000025e-03 -1.298990057417586e-02 PASS
intel-2022a_omp_impi 4.956886097010000e-01 -2.170994107870001e-01 -2.982134763557693e-01 PASS