Match comparison for Energy [step 5] (match type 14081)

Commits > Commit 1f10c93c74388b17aea6526c581521be8cd6aa14 > Input 05-time_propagation.06-td_fast_md.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-3.790974154516920e+01 2.000000000000000e-13 -3.790974154516929e+01 4.445757966304467e-14 -3.790974154516927e+01 7.105427357601002e-14 PASS

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Detailed information

Reference: -37.9097415451692, precision: 0.0000000000002
Run Value Difference Relative difference Status
cmake_foss_2022a_min_serial -3.790974154516928e+01 -8.526512829121202e-14 -4.263256414560601e-01 PASS
cmake_foss_2022a_full_serial -3.790974154516928e+01 -8.526512829121202e-14 -4.263256414560601e-01 PASS
spack_foss-2022a_serial_min -3.790974154516927e+01 -7.105427357601002e-14 -3.552713678800501e-01 PASS
cmake_foss_2022a_min_mpi -3.790974154516932e+01 -1.207922650792170e-13 -6.039613253960852e-01 PASS
spack_foss-2022a_ppc -3.790974154516920e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2022a_serial -3.790974154516927e+01 -7.105427357601002e-14 -3.552713678800501e-01 PASS
cmake_foss_2022a_full_mpi -3.790974154516934e+01 -1.421085471520200e-13 -7.105427357601002e-01 PASS
spack_foss-2022a_mpi_min -3.790974154516933e+01 -1.350031197944190e-13 -6.750155989720952e-01 PASS
spack_foss-2022a_mpi -3.790974154516933e+01 -1.350031197944190e-13 -6.750155989720952e-01 PASS
spack_foss-2023a_mpi -3.790974154516933e+01 -1.350031197944190e-13 -6.750155989720952e-01 PASS
spack_foss-2023a_mpi_min -3.790974154516933e+01 -1.350031197944190e-13 -6.750155989720952e-01 PASS
spack_foss-2023a_serial -3.790974154516927e+01 -7.105427357601002e-14 -3.552713678800501e-01 PASS
spack_foss-2023a_mpi_opt -3.790974154516934e+01 -1.421085471520200e-13 -7.105427357601002e-01 PASS
spack_foss-2023a_mpi_debug -3.790974154516933e+01 -1.350031197944190e-13 -6.750155989720952e-01 PASS
spack_foss-2023a_serial_debug -3.790974154516927e+01 -7.105427357601002e-14 -3.552713678800501e-01 PASS
spack_foss-2023a_serial_min -3.790974154516927e+01 -7.105427357601002e-14 -3.552713678800501e-01 PASS
spack_foss-2022a_cuda_serial -3.790974154516930e+01 -9.947598300641403e-14 -4.973799150320701e-01 PASS
spack_foss-2023a_mpi_omp -3.790974154516930e+01 -9.947598300641403e-14 -4.973799150320701e-01 PASS
spack_foss-2023a_serial_opt -3.790974154516928e+01 -8.526512829121202e-14 -4.263256414560601e-01 PASS
spack_foss-2023a_serial_omp -3.790974154516925e+01 -5.684341886080801e-14 -2.842170943040401e-01 PASS
spack_foss-2023b_serial -3.790974154516927e+01 -7.105427357601002e-14 -3.552713678800501e-01 PASS
spack_foss-2022a_cuda_mpi_omp -3.790974154516931e+01 -1.136868377216160e-13 -5.684341886080801e-01 PASS
spack_intel-2023a_serial -3.790974154516928e+01 -8.526512829121202e-14 -4.263256414560601e-01 PASS
spack_intel-2022a_serial_omp -3.790974154516920e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_intel-2023a_serial_omp -3.790974154516920e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_intel-2023a_impi -3.790974154516923e+01 -2.842170943040401e-14 -1.421085471520200e-01 PASS
spack_intel-2022a_impi_omp -3.790974154516923e+01 -2.842170943040401e-14 -1.421085471520200e-01 PASS