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

Commits > Commit 9c86d3f9e0672ab6f34186f0e6ca5b729d8f047e > Input 13-primitive.01-diamond.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
7.127880204880001e-01 7.280000000000000e-01 6.635879340529230e-01 2.528860676712839e-01 7.170551979120000e-01 6.639076634230000e-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_full_serial 6.936449854940000e-01 -1.914303499400005e-02 -2.629537773901106e-02 PASS
foss-2022a_ppc 4.995159166670000e-01 -2.132721038210000e-01 -2.929561865673078e-01 PASS
spack_foss-2022a_serial_min 6.936449854940000e-01 -1.914303499400005e-02 -2.629537773901106e-02 PASS
spack_foss-2022a_serial 6.936449854940000e-01 -1.914303499400005e-02 -2.629537773901106e-02 PASS
foss-2022a_opt 7.146249101270000e-01 1.836889638999972e-03 2.523200053571391e-03 PASS
cmake_foss_2022a_min_mpi 7.055828640170000e-01 -7.205156471000063e-03 -9.897192954670416e-03 PASS
intel-2022a 4.954712475520000e-01 -2.173167729360000e-01 -2.985120507362638e-01 PASS
cmake_foss_2022a_full_mpi 7.055828640170000e-01 -7.205156471000063e-03 -9.897192954670416e-03 PASS
spack_foss-2022a_serial_omp 7.053265838410000e-01 -7.461436647000053e-03 -1.024922616346161e-02 PASS
spack_foss-2022a_serial_debug 6.936449854940000e-01 -1.914303499400005e-02 -2.629537773901106e-02 PASS
foss-2022a_omp 7.063618881160000e-01 -6.426132372000071e-03 -8.827104906593504e-03 PASS
cmake_foss_2022a_min_serial 6.936449854940000e-01 -1.914303499400005e-02 -2.629537773901106e-02 PASS
eb_fosscuda-2022a 1.380962861335000e+00 6.681748408470000e-01 9.178225835810440e-01 PASS
intel-2022a_omp 5.314753448900000e-02 -6.596404859990000e-01 -9.060995686799451e-01 PASS
intel-2022b_impi 5.160346751230001e-01 -1.967533453650000e-01 -2.702655842925824e-01 PASS
intel-2022a_impi 5.160346751230001e-01 -1.967533453650000e-01 -2.702655842925824e-01 PASS
foss-2022a_mpi_omp 7.015773688169999e-01 -1.121065167100010e-02 -1.539924680082432e-02 PASS
eb_foss-2022a 7.146249101270000e-01 1.836889638999972e-03 2.523200053571391e-03 PASS
eb_foss-2022b_libxc6 4.453993831640000e-01 -2.673886373240000e-01 -3.672920842362638e-01 PASS
eb_foss-2022a_debug 7.146249101270000e-01 1.836889638999972e-03 2.523200053571391e-03 PASS
intel-2022a_omp_impi 4.913902635400000e-01 -2.213977569480001e-01 -3.041177980054946e-01 PASS
eb_foss-2022a_mpi 7.088601543250000e-01 -3.927866163000004e-03 -5.395420553571435e-03 PASS
eb_foss-2022b_libxc6_mpi 4.381519468990000e-01 -2.746360735890001e-01 -3.772473538310440e-01 PASS
eb_foss-2022a_mpi_debug 7.088601543250000e-01 -3.927866163000004e-03 -5.395420553571435e-03 PASS
intel-2022b 4.954712475520000e-01 -2.173167729360000e-01 -2.985120507362638e-01 PASS
eb_fosscuda-2022a_mpi_omp 1.367454998623000e+00 6.546669781350000e-01 8.992678271085165e-01 PASS