Match comparison for Energy [step 20] (match type 14059)

Commits > Commit 9bb80dbc43fc7b1ccbcadf899a686fb8cb0164a9 > Input 19-td_move_ions.03-td_restart.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-2.964503239906140e+01 1.480000000000000e-12 -2.964503239906147e+01 1.207319664257370e-13 -2.964503239906143e+01 2.096101070492296e-13 PASS
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Detailed information

Reference: -29.6450323990614, precision: 0.00000000000148
Run Value Difference Relative difference Status
foss-2022a_ppc -2.964503239906144e+01 -4.263256414560601e-14 -2.880578658486893e-02 PASS
cmake_foss_2022a_full_serial -2.964503239906140e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
cmake_foss_2022a_min_serial -2.964503239906140e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
cmake_foss_2022a_min_mpi -2.964503239906148e+01 -8.526512829121202e-14 -5.761157316973785e-02 PASS
cmake_foss_2022a_full_mpi -2.964503239906162e+01 -2.238209617644316e-13 -1.512303795705619e-01 PASS
eb_foss-2022a -2.964503239906140e+01 3.552713678800501e-15 2.400482215405744e-03 PASS
eb_foss-2022a_debug -2.964503239906140e+01 3.552713678800501e-15 2.400482215405744e-03 PASS
eb_foss-2022a_mpi -2.964503239906164e+01 -2.380318164796336e-13 -1.608323084321849e-01 PASS
eb_foss-2022b_libxc6 -2.964503239906140e+01 3.552713678800501e-15 2.400482215405744e-03 PASS
foss-2022a_opt -2.964503239906143e+01 -3.197442310920451e-14 -2.160433993865169e-02 PASS
intel-2022a -2.964503239906122e+01 1.811883976188255e-13 1.224245929856929e-01 PASS
spack_foss-2022a_serial_omp -2.964503239906163e+01 -2.309263891220326e-13 -1.560313440013734e-01 PASS
eb_foss-2022b_libxc6_mpi -2.964503239906164e+01 -2.380318164796336e-13 -1.608323084321849e-01 PASS
foss-2022a_omp -2.964503239906163e+01 -2.309263891220326e-13 -1.560313440013734e-01 PASS
intel-2022b -2.964503239906122e+01 1.811883976188255e-13 1.224245929856929e-01 PASS
spack_foss-2022a_serial -2.964503239906142e+01 -1.776356839400250e-14 -1.200241107702872e-02 PASS
eb_foss-2022a_mpi_debug -2.964503239906164e+01 -2.380318164796336e-13 -1.608323084321849e-01 PASS
intel-2022a_omp -2.964503239906150e+01 -1.030286966852145e-13 -6.961398424676657e-02 PASS
intel-2022a_impi -2.964503239906144e+01 -4.263256414560601e-14 -2.880578658486893e-02 PASS
eb_fosscuda-2022a_mpi_omp -2.964503239906162e+01 -2.167155344068306e-13 -1.464294151397504e-01 PASS
intel-2022b_impi -2.964503239906144e+01 -4.263256414560601e-14 -2.880578658486893e-02 PASS
spack_foss-2022a_serial_debug -2.964503239906142e+01 -1.776356839400250e-14 -1.200241107702872e-02 PASS
foss-2022a_mpi_omp -2.964503239906164e+01 -2.380318164796336e-13 -1.608323084321849e-01 PASS
spack_foss-2022a_serial_min -2.964503239906142e+01 -1.776356839400250e-14 -1.200241107702872e-02 PASS
intel-2022a_omp_impi -2.964503239906144e+01 -4.263256414560601e-14 -2.880578658486893e-02 PASS
eb_fosscuda-2022a -2.964503239906141e+01 -1.421085471520200e-14 -9.601928861622975e-03 PASS