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

Commits > Commit b6caf805fea115365f1246dd8a44b3bc3b7dd03a > 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 -2.964503239906150e+01 8.822969688671125e-14 -2.964503239906151e+01 1.119104808822158e-13 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: -29.6450323990614, precision: 0.00000000000148
Run Value Difference Relative difference Status
spack_foss-2022a_serial_min -2.964503239906142e+01 -1.776356839400250e-14 -1.200241107702872e-02 PASS
spack_foss-2023a_serial_min -2.964503239906142e+01 -1.776356839400250e-14 -1.200241107702872e-02 PASS
spack_foss-2022a_serial_opt -2.964503239906140e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2022a_serial -2.964503239906142e+01 -1.776356839400250e-14 -1.200241107702872e-02 PASS
spack_foss-2022a_ppc -2.964503239906144e+01 -4.263256414560601e-14 -2.880578658486893e-02 PASS
spack_foss-2022a_mpi_min -2.964503239906161e+01 -2.060573933704291e-13 -1.392279684935331e-01 PASS
spack_foss-2023a_mpi_min -2.964503239906161e+01 -2.060573933704291e-13 -1.392279684935331e-01 PASS
spack_foss-2022a_serial_debug -2.964503239906142e+01 -1.776356839400250e-14 -1.200241107702872e-02 PASS
spack_foss-2022a_mpi_opt -2.964503239906162e+01 -2.238209617644316e-13 -1.512303795705619e-01 PASS
spack_intel-2022a_serial_omp -2.964503239906149e+01 -9.237055564881302e-14 -6.241253760054934e-02 PASS
spack_foss-2022a_mpi -2.964503239906161e+01 -2.060573933704291e-13 -1.392279684935331e-01 PASS
spack_foss-2022a_cuda_serial -2.964503239906146e+01 -6.039613253960852e-14 -4.080819766189765e-02 PASS
spack_intel-2023a_impi -2.964503239906142e+01 -1.776356839400250e-14 -1.200241107702872e-02 PASS
spack_foss-2022a_mpi_debug -2.964503239906161e+01 -2.060573933704291e-13 -1.392279684935331e-01 PASS
spack_foss-2022a_cuda_mpi_omp -2.964503239906162e+01 -2.167155344068306e-13 -1.464294151397504e-01 PASS
spack_intel-2022a_impi_omp -2.964503239906146e+01 -5.684341886080801e-14 -3.840771544649190e-02 PASS