Match comparison for Hartree energy (match type 28510)

Commits > Commit 58dcf5562fbb52d037ca78866f8fd352b3754746 > Input 01-nio.01-U5-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
4.641776690000000e+01 7.890000000000001e-06 4.641777059538462e+01 2.262436111433585e-06 4.641777041500000e+01 3.765000002431407e-06 PASS

Checks for this match

  • Mid point of values far away from reference. Recentering may be necessary.
Loading plot...
Get updated match line Get updated match line with fixed reference

Detailed information

Reference: 46.417766900000004, precision: 0.00000789
Run Value Difference Relative difference Status
eb_foss-2022a 4.641777360000000e+01 6.699999993031724e-06 8.491761714869105e-01 PASS
eb_fosscuda-2022a 4.641777138000000e+01 4.479999994089212e-06 5.678073503281638e-01 PASS
intel-2022a_omp 4.641777063000000e+01 3.729999995982780e-06 4.727503163476273e-01 PASS
eb_foss-2022a_debug 4.641777360000000e+01 6.699999993031724e-06 8.491761714869105e-01 PASS
intel-2022b_impi 4.641776804000000e+01 1.139999994848040e-06 1.444866913622357e-01 PASS
intel-2022a_impi 4.641776804000000e+01 1.139999994848040e-06 1.444866913622357e-01 PASS
eb_fosscuda-2022a_mpi_omp 4.641776958000000e+01 2.679999994370519e-06 3.396704682345397e-01 PASS
eb_foss-2022b_libxc6 4.641777127000000e+01 4.369999999198626e-06 5.538656526233999e-01 PASS
eb_foss-2022a_mpi 4.641776792000000e+01 1.019999999130050e-06 1.292775664296641e-01 PASS
eb_foss-2022b_libxc6_mpi 4.641776665000000e+01 -2.500000064742380e-07 -3.168567889407326e-02 PASS
intel-2022a_omp_impi 4.641777418000000e+01 7.279999998388575e-06 9.226869452963973e-01 PASS
eb_foss-2022a_mpi_debug 4.641776792000000e+01 1.019999999130050e-06 1.292775664296641e-01 PASS
foss-2022a_mpi_omp 4.641776939000000e+01 2.489999992860703e-06 3.155893527073134e-01 PASS
cmake_foss_2022a_full_serial 4.641777268000000e+01 5.779999995070284e-06 7.325728764347634e-01 PASS
foss-2022a_ppc 4.641776776000000e+01 8.599999929970181e-07 1.089987316853001e-01 PASS
spack_foss-2022a_serial_min 4.641777268000000e+01 5.779999995070284e-06 7.325728764347634e-01 PASS
spack_foss-2022a_serial 4.641777268000000e+01 5.779999995070284e-06 7.325728764347634e-01 PASS
foss-2022a_opt 4.641777360000000e+01 6.699999993031724e-06 8.491761714869105e-01 PASS
cmake_foss_2022a_min_mpi 4.641777013000000e+01 3.229999997245159e-06 4.093789603606031e-01 PASS
intel-2022b 4.641776925000000e+01 2.349999995487906e-06 2.978453733191262e-01 PASS
intel-2022a 4.641776925000000e+01 2.349999995487906e-06 2.978453733191262e-01 PASS
spack_foss-2022a_serial_omp 4.641777231000000e+01 5.409999992878056e-06 6.856780726081186e-01 PASS
cmake_foss_2022a_full_mpi 4.641777013000000e+01 3.229999997245159e-06 4.093789603606031e-01 PASS
spack_foss-2022a_serial_debug 4.641777268000000e+01 5.779999995070284e-06 7.325728764347634e-01 PASS
foss-2022a_omp 4.641776745000000e+01 5.499999957692125e-07 6.970849122550221e-02 PASS
cmake_foss_2022a_min_serial 4.641777268000000e+01 5.779999995070284e-06 7.325728764347634e-01 PASS