Match comparison for Energy [step 10] (match type 14082)

Commits > Commit 467aee6bb6aa6bf5b31aed5cccd88bd7f10f5124 > Input 05-time_propagation.06-td_fast_md.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-3.790950309455620e+01 1.900000000000000e-12 -3.790950309455622e+01 6.749833594210811e-14 -3.790950309455617e+01 1.350031197944190e-13 PASS
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Detailed information

Reference: -37.9095030945562, precision: 0.0000000000019
Run Value Difference Relative difference Status
foss-2022a_ppc -3.790950309455619e+01 7.105427357601002e-15 3.739698609263685e-03 PASS
spack_foss-2022a_serial_opt -3.790950309455626e+01 -6.394884621840902e-14 -3.365728748337317e-02 PASS
spack_foss-2022a_serial_min -3.790950309455626e+01 -6.394884621840902e-14 -3.365728748337317e-02 PASS
spack_foss-2022a_serial -3.790950309455626e+01 -6.394884621840902e-14 -3.365728748337317e-02 PASS
foss-2022a_opt -3.790950309455628e+01 -7.815970093361102e-14 -4.113668470190054e-02 PASS
intel-2022b -3.790950309455626e+01 -6.394884621840902e-14 -3.365728748337317e-02 PASS
intel-2022a -3.790950309455626e+01 -6.394884621840902e-14 -3.365728748337317e-02 PASS
spack_foss-2022a_serial_omp -3.790950309455624e+01 -3.552713678800501e-14 -1.869849304631842e-02 PASS
spack_foss-2022a_serial_debug -3.790950309455626e+01 -6.394884621840902e-14 -3.365728748337317e-02 PASS
foss-2022a_omp -3.790950309455625e+01 -4.973799150320701e-14 -2.617789026484580e-02 PASS
spack_foss-2022a_mpi -3.790950309455621e+01 -1.421085471520200e-14 -7.479397218527370e-03 PASS
intel-2022a_omp -3.790950309455614e+01 6.394884621840902e-14 3.365728748337317e-02 PASS
intel-2022a_impi -3.790950309455605e+01 1.492139745096210e-13 7.853367079453739e-02 PASS
cmake_foss_2022a_full_mpi -3.790950309455621e+01 -1.421085471520200e-14 -7.479397218527370e-03 PASS
spack_foss-2022a_mpi_omp -3.790950309455621e+01 -7.105427357601002e-15 -3.739698609263685e-03 PASS
eb_fosscuda-2022a -3.790950309455631e+01 -1.065814103640150e-13 -5.609547913895528e-02 PASS
cmake_foss_2022a_full_serial -3.790950309455626e+01 -6.394884621840902e-14 -3.365728748337317e-02 PASS
cmake_foss_2022a_min_serial -3.790950309455626e+01 -6.394884621840902e-14 -3.365728748337317e-02 PASS
foss-2022a_mpi_omp -3.790950309455618e+01 2.131628207280301e-14 1.121909582779106e-02 PASS
cmake_foss_2022a_min_mpi -3.790950309455621e+01 -7.105427357601002e-15 -3.739698609263685e-03 PASS
eb_foss-2022a -3.790950309455625e+01 -4.973799150320701e-14 -2.617789026484580e-02 PASS
eb_foss-2022b_libxc6 -3.790950309455623e+01 -2.842170943040401e-14 -1.495879443705474e-02 PASS
intel-2022a_omp_impi -3.790950309455604e+01 1.634248292248230e-13 8.601306801306476e-02 PASS
eb_foss-2022a_debug -3.790950309455625e+01 -4.973799150320701e-14 -2.617789026484580e-02 PASS
eb_foss-2022a_mpi -3.790950309455620e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
eb_foss-2022b_libxc6_mpi -3.790950309455622e+01 -2.131628207280301e-14 -1.121909582779106e-02 PASS
eb_foss-2022a_mpi_debug -3.790950309455620e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
eb_fosscuda-2022a_mpi_omp -3.790950309455619e+01 7.105427357601002e-15 3.739698609263685e-03 PASS
intel-2022b_impi -3.790950309455605e+01 1.492139745096210e-13 7.853367079453739e-02 PASS