Match comparison for Energy [step 1] (match type 14080)

Commits > Commit 8520a932a983b5c1584256e5aef0dad9a7dbc2f2 > Input 05-time_propagation.06-td_fast_md.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-3.791009280177380e+01 1.900000000000000e-12 -3.791009280177384e+01 7.709659445148042e-14 -3.791009280177386e+01 1.421085471520200e-13 PASS
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Detailed information

Reference: -37.9100928017738, precision: 0.0000000000019
Run Value Difference Relative difference Status
foss-2022a_ppc -3.791009280177379e+01 1.421085471520200e-14 7.479397218527370e-03 PASS
cmake_foss_2022a_full_serial -3.791009280177379e+01 7.105427357601002e-15 3.739698609263685e-03 PASS
spack_foss-2022a_serial -3.791009280177379e+01 1.421085471520200e-14 7.479397218527370e-03 PASS
foss-2022a_opt -3.791009280177380e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
intel-2022b -3.791009280177400e+01 -1.989519660128281e-13 -1.047115610593832e-01 PASS
intel-2022a -3.791009280177400e+01 -1.989519660128281e-13 -1.047115610593832e-01 PASS
cmake_foss_2022a_min_mpi -3.791009280177387e+01 -7.105427357601002e-14 -3.739698609263685e-02 PASS
spack_foss-2022a_serial_debug -3.791009280177379e+01 1.421085471520200e-14 7.479397218527370e-03 PASS
cmake_foss_2022a_full_mpi -3.791009280177394e+01 -1.421085471520200e-13 -7.479397218527370e-02 PASS
foss-2022a_omp -3.791009280177389e+01 -8.526512829121202e-14 -4.487638331116423e-02 PASS
eb_fosscuda-2022a -3.791009280177377e+01 2.842170943040401e-14 1.495879443705474e-02 PASS
cmake_foss_2022a_min_serial -3.791009280177379e+01 7.105427357601002e-15 3.739698609263685e-03 PASS
intel-2022a_omp -3.791009280177381e+01 -7.105427357601002e-15 -3.739698609263685e-03 PASS
intel-2022b_impi -3.791009280177374e+01 5.684341886080801e-14 2.991758887410948e-02 PASS
intel-2022a_impi -3.791009280177374e+01 5.684341886080801e-14 2.991758887410948e-02 PASS
foss-2022a_mpi_omp -3.791009280177389e+01 -8.526512829121202e-14 -4.487638331116423e-02 PASS
eb_foss-2022a -3.791009280177380e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2022a_serial_min -3.791009280177379e+01 1.421085471520200e-14 7.479397218527370e-03 PASS
eb_foss-2022b_libxc6 -3.791009280177379e+01 7.105427357601002e-15 3.739698609263685e-03 PASS
eb_fosscuda-2022a_mpi_omp -3.791009280177392e+01 -1.207922650792170e-13 -6.357487635748264e-02 PASS
eb_foss-2022a_debug -3.791009280177380e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2022a_serial_omp -3.791009280177389e+01 -9.237055564881302e-14 -4.861608192042791e-02 PASS
intel-2022a_omp_impi -3.791009280177371e+01 8.526512829121202e-14 4.487638331116423e-02 PASS
eb_foss-2022a_mpi -3.791009280177391e+01 -1.065814103640150e-13 -5.609547913895528e-02 PASS
eb_foss-2022b_libxc6_mpi -3.791009280177392e+01 -1.207922650792170e-13 -6.357487635748264e-02 PASS
eb_foss-2022a_mpi_debug -3.791009280177391e+01 -1.065814103640150e-13 -5.609547913895528e-02 PASS