Match comparison for nuclei-solvent int. energy (match type 25161)

Commits > Commit adb0a770f40b5954f8a07de2fe2e63c9718fe526 > Input 20-pcm-local-field-absorption.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-3.110000000000000e-05 1.560000000000000e-06 -3.118000000000000e-05 6.928203230275533e-08 -3.107000000000000e-05 1.300000000000004e-07 PASS

Checks for this match

  • GPU builders have different values.
Loading plot...
Get updated match line Get updated match line with fixed reference

Detailed information

Reference: -0.000031100000000000004, precision: 0.00000156
Run Value Difference Relative difference Status
foss-2022a_ppc -3.120000000000000e-05 -9.999999999999565e-08 -6.410256410256131e-02 PASS
cmake_foss_2022a_full_serial -3.120000000000000e-05 -9.999999999999565e-08 -6.410256410256131e-02 PASS
cmake_foss_2022a_min_serial -3.120000000000000e-05 -9.999999999999565e-08 -6.410256410256131e-02 PASS
cmake_foss_2022a_min_mpi -3.120000000000000e-05 -9.999999999999565e-08 -6.410256410256131e-02 PASS
cmake_foss_2022a_full_mpi -3.120000000000000e-05 -9.999999999999565e-08 -6.410256410256131e-02 PASS
eb_fosscuda-2022a -3.094000000000000e-05 1.600000000000052e-07 1.025641025641059e-01 PASS
eb_foss-2022a -3.120000000000000e-05 -9.999999999999565e-08 -6.410256410256131e-02 PASS
eb_foss-2022a_debug -3.120000000000000e-05 -9.999999999999565e-08 -6.410256410256131e-02 PASS
eb_foss-2022b_libxc6 -3.120000000000000e-05 -9.999999999999565e-08 -6.410256410256131e-02 PASS
eb_foss-2022a_mpi -3.120000000000000e-05 -9.999999999999565e-08 -6.410256410256131e-02 PASS
foss-2022a_opt -3.120000000000000e-05 -9.999999999999565e-08 -6.410256410256131e-02 PASS
intel-2022a -3.120000000000000e-05 -9.999999999999565e-08 -6.410256410256131e-02 PASS
eb_foss-2022b_libxc6_mpi -3.120000000000000e-05 -9.999999999999565e-08 -6.410256410256131e-02 PASS
foss-2022a_omp -3.120000000000000e-05 -9.999999999999565e-08 -6.410256410256131e-02 PASS
intel-2022b -3.120000000000000e-05 -9.999999999999565e-08 -6.410256410256131e-02 PASS
spack_foss-2022a_serial -3.120000000000000e-05 -9.999999999999565e-08 -6.410256410256131e-02 PASS
eb_fosscuda-2022a_mpi_omp -3.094000000000000e-05 1.600000000000052e-07 1.025641025641059e-01 PASS
intel-2022a_omp -3.120000000000000e-05 -9.999999999999565e-08 -6.410256410256131e-02 PASS
intel-2022a_impi -3.120000000000000e-05 -9.999999999999565e-08 -6.410256410256131e-02 PASS
spack_foss-2022a_serial_min -3.120000000000000e-05 -9.999999999999565e-08 -6.410256410256131e-02 PASS
spack_foss-2022a_serial_debug -3.120000000000000e-05 -9.999999999999565e-08 -6.410256410256131e-02 PASS
intel-2022b_impi -3.120000000000000e-05 -9.999999999999565e-08 -6.410256410256131e-02 PASS
foss-2022a_mpi_omp -3.120000000000000e-05 -9.999999999999565e-08 -6.410256410256131e-02 PASS
spack_foss-2022a_serial_omp -3.120000000000000e-05 -9.999999999999565e-08 -6.410256410256131e-02 PASS
intel-2022a_omp_impi -3.120000000000000e-05 -9.999999999999565e-08 -6.410256410256131e-02 PASS
eb_foss-2022a_mpi_debug -3.120000000000000e-05 -9.999999999999565e-08 -6.410256410256131e-02 PASS