Match comparison for Forces [step 10] (match type 22546)

Commits > Commit ee11de90c734467b7aebfc32d0117fe9ec1eea84 > Input 05-time_propagation.06-td_fast_md.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-9.391687584811126e-03 2.300000000000000e-14 -9.391687584814453e-03 4.490928190426975e-15 -9.391687584813457e-03 1.199040866595169e-14 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: -0.009391687584811126, precision: 0.000000000000023
Run Value Difference Relative difference Status
spack_foss-2022a_ppc -9.391687584801467e-03 9.658940314238862e-15 4.199539267060375e-01 PASS
spack_foss-2022a_mpi -9.391687584813901e-03 -2.775557561562891e-15 -1.206764157201257e-01 PASS
cmake_foss_2022a_full_mpi -9.391687584813235e-03 -2.109423746787797e-15 -9.171407594729554e-02 PASS
cmake_foss_2022a_min_serial -9.391687584812347e-03 -1.221245327087672e-15 -5.309762291685531e-02 PASS
cmake_foss_2022a_full_serial -9.391687584812347e-03 -1.221245327087672e-15 -5.309762291685531e-02 PASS
cmake_foss_2022a_min_mpi -9.391687584812347e-03 -1.221245327087672e-15 -5.309762291685531e-02 PASS
spack_foss-2022a_serial -9.391687584812125e-03 -9.992007221626409e-16 -4.344350965924525e-02 PASS
spack_foss-2022a_serial_min -9.391687584812125e-03 -9.992007221626409e-16 -4.344350965924525e-02 PASS
spack_foss-2022a_mpi_min -9.391687584813901e-03 -2.775557561562891e-15 -1.206764157201257e-01 PASS
spack_foss-2023a_mpi_min -9.391687584813901e-03 -2.775557561562891e-15 -1.206764157201257e-01 PASS
spack_foss-2023a_mpi_opt -9.391687584813235e-03 -2.109423746787797e-15 -9.171407594729554e-02 PASS
spack_foss-2023a_mpi -9.391687584813901e-03 -2.775557561562891e-15 -1.206764157201257e-01 PASS
spack_foss-2023a_serial -9.391687584812125e-03 -9.992007221626409e-16 -4.344350965924525e-02 PASS
spack_foss-2023a_serial_min -9.391687584812125e-03 -9.992007221626409e-16 -4.344350965924525e-02 PASS
spack_foss-2023a_mpi_debug -9.391687584813901e-03 -2.775557561562891e-15 -1.206764157201257e-01 PASS
spack_foss-2022a_cuda_mpi_omp -9.391687584819897e-03 -8.770761894538737e-15 -3.813374736755972e-01 PASS
spack_foss-2023a_serial_debug -9.391687584812125e-03 -9.992007221626409e-16 -4.344350965924525e-02 PASS
spack_foss-2023a_serial_opt -9.391687584812347e-03 -1.221245327087672e-15 -5.309762291685531e-02 PASS
spack_foss-2023b_serial -9.391687584812125e-03 -9.992007221626409e-16 -4.344350965924525e-02 PASS
spack_foss-2022a_cuda_serial -9.391687584819008e-03 -7.882583474838611e-15 -3.427210206451570e-01 PASS
spack_foss-2023a_serial_omp -9.391687584813013e-03 -1.887379141862766e-15 -8.205996268968549e-02 PASS
spack_intel-2023a_serial -9.391687584816344e-03 -5.218048215738236e-15 -2.268716615538363e-01 PASS
spack_intel-2022a_serial_omp -9.391687584818786e-03 -7.660538869913580e-15 -3.330669073875470e-01 PASS
spack_intel-2023a_serial_omp -9.391687584818786e-03 -7.660538869913580e-15 -3.330669073875470e-01 PASS
spack_intel-2023a_impi -9.391687584824782e-03 -1.365574320288943e-14 -5.937279653430185e-01 PASS
spack_intel-2022a_impi_omp -9.391687584825448e-03 -1.432187701766452e-14 -6.226903051158487e-01 PASS
spack_foss-2023a_mpi_omp -9.391687584814568e-03 -3.441691376337985e-15 -1.496387554929559e-01 PASS