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

Commits > Commit 648faf2c6f79684bb4504aeb1ba8c9cb14e3b2f7 > 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 -2.964503239906149e+01 1.042443300961527e-13 -2.964503239906143e+01 2.025046796916286e-13 PASS
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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-2023a_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-2023a_serial -2.964503239906142e+01 -1.776356839400250e-14 -1.200241107702872e-02 PASS
spack_foss-2023b_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-2023a_mpi_min -2.964503239906161e+01 -2.060573933704291e-13 -1.392279684935331e-01 PASS
spack_foss-2022a_mpi_min -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_foss-2023a_serial_omp -2.964503239906163e+01 -2.309263891220326e-13 -1.560313440013734e-01 PASS
spack_foss-2023a_serial_debug -2.964503239906142e+01 -1.776356839400250e-14 -1.200241107702872e-02 PASS
spack_foss-2023a_mpi_opt -2.964503239906162e+01 -2.238209617644316e-13 -1.512303795705619e-01 PASS
spack_foss-2023a_mpi -2.964503239906161e+01 -2.060573933704291e-13 -1.392279684935331e-01 PASS
spack_foss-2022a_mpi -2.964503239906161e+01 -2.060573933704291e-13 -1.392279684935331e-01 PASS
spack_foss-2023a_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_foss-2023a_mpi_omp -2.964503239906163e+01 -2.309263891220326e-13 -1.560313440013734e-01 PASS
cmake_foss_2022a_min_serial -2.964503239906140e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
cmake_foss_2022a_full_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
spack_intel-2023a_serial -2.964503239906123e+01 1.740829702612245e-13 1.176236285548815e-01 PASS
spack_intel-2022a_serial_omp -2.964503239906149e+01 -9.237055564881302e-14 -6.241253760054934e-02 PASS
spack_intel-2022a_impi_omp -2.964503239906146e+01 -5.684341886080801e-14 -3.840771544649190e-02 PASS
spack_intel-2023a_serial_omp -2.964503239906149e+01 -9.237055564881302e-14 -6.241253760054934e-02 PASS
spack_intel-2023a_impi -2.964503239906142e+01 -1.776356839400250e-14 -1.200241107702872e-02 PASS