Match comparison for Energy [step 20] (match type 14051)

Commits > Commit b1773e3237a9e3fe1d68ecd7146c17ebbd95a961 > Input 19-td_move_ions.02-td.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-2.964454097232387e+01 2.960000000000000e-13 -2.964454097232390e+01 1.890092414420226e-13 -2.964454097232387e+01 2.682298827494378e-13 PASS
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Detailed information

Reference: -29.644540972323867, precision: 0.000000000000296
Run Value Difference Relative difference Status
GCI_foss_min_autotools: [foss2023a-serial] -2.964454097232413e+01 -2.664535259100376e-13 -9.001808307771539e-01 PASS
GCI_foss_opt_autotools: [foss2023a-serial] -2.964454097232413e+01 -2.664535259100376e-13 -9.001808307771539e-01 PASS
cmake_foss_2022a_full_serial -2.964454097232413e+01 -2.664535259100376e-13 -9.001808307771539e-01 PASS
GCI_foss_autotools: [foss2022a-serial] -2.964454097232413e+01 -2.664535259100376e-13 -9.001808307771539e-01 PASS
GCI_foss_autotools: [foss2023b-serial] -2.964454097232413e+01 -2.664535259100376e-13 -9.001808307771539e-01 PASS
GCI_foss_mpi_opt_autotools: [foss2023a-mpi] -2.964454097232381e+01 5.329070518200751e-14 1.800361661554308e-01 PASS
spack_foss-2023a_serial_min -2.964454097232413e+01 -2.664535259100376e-13 -9.001808307771539e-01 PASS
spack_foss-2022a_serial_min -2.964454097232413e+01 -2.664535259100376e-13 -9.001808307771539e-01 PASS
spack_foss-2022a_ppc -2.964454097232389e+01 -2.131628207280301e-14 -7.201446646217231e-02 PASS
spack_foss-2022a_serial -2.964454097232413e+01 -2.664535259100376e-13 -9.001808307771539e-01 PASS
GCI_intel_omp_autotools: [intel2022a-serial] -2.964454097232360e+01 2.700062395888381e-13 9.121832418541826e-01 PASS
spack_foss-2023a_serial -2.964454097232413e+01 -2.664535259100376e-13 -9.001808307771539e-01 PASS
cmake_foss_2022a_min_mpi -2.964454097232376e+01 1.065814103640150e-13 3.600723323108616e-01 PASS
GCI_foss-cmake: [foss2022a-serial, foss-min] -2.964454097232413e+01 -2.664535259100376e-13 -9.001808307771539e-01 PASS
GCI_foss_mpi_min_autotools: [foss2022a-mpi] -2.964454097232377e+01 9.947598300641403e-14 3.360675101568041e-01 PASS
GCI_foss_debug_autotools: [foss2023a-serial] -2.964454097232413e+01 -2.664535259100376e-13 -9.001808307771539e-01 PASS
spack_foss-2022a_mpi_min -2.964454097232383e+01 3.552713678800501e-14 1.200241107702872e-01 PASS
spack_foss-2023a_mpi_min -2.964454097232383e+01 3.552713678800501e-14 1.200241107702872e-01 PASS
GCI_foss_mpi_autotools: [foss2022a-mpi] -2.964454097232383e+01 3.552713678800501e-14 1.200241107702872e-01 PASS
GCI_foss_ppc_autotools: [foss2022a-serial] -2.964454097232389e+01 -2.131628207280301e-14 -7.201446646217231e-02 PASS
cmake_foss_2022a_full_mpi -2.964454097232381e+01 5.329070518200751e-14 1.800361661554308e-01 PASS
spack_foss-2023a_mpi_opt -2.964454097232381e+01 5.329070518200751e-14 1.800361661554308e-01 PASS
cmake_foss_2022a_min_serial -2.964454097232413e+01 -2.664535259100376e-13 -9.001808307771539e-01 PASS
spack_foss-2023a_serial_debug -2.964454097232413e+01 -2.664535259100376e-13 -9.001808307771539e-01 PASS
spack_foss-2022a_mpi -2.964454097232383e+01 3.552713678800501e-14 1.200241107702872e-01 PASS
spack_foss-2023a_mpi -2.964454097232383e+01 3.552713678800501e-14 1.200241107702872e-01 PASS
GCI_foss_mpi_debug_autotools: [foss2023a-mpi] -2.964454097232383e+01 3.552713678800501e-14 1.200241107702872e-01 PASS
GCI_foss_min_autotools: [foss2023b-serial] -2.964454097232413e+01 -2.664535259100376e-13 -9.001808307771539e-01 PASS
spack_foss-2023a_mpi_debug -2.964454097232383e+01 3.552713678800501e-14 1.200241107702872e-01 PASS
spack_foss-2023a_mpi_omp -2.964454097232380e+01 7.105427357601002e-14 2.400482215405744e-01 PASS
GCI_foss_autotools: [foss2023a-serial] -2.964454097232413e+01 -2.664535259100376e-13 -9.001808307771539e-01 PASS
GCI_foss_min_autotools: [foss2022a-serial] -2.964454097232413e+01 -2.664535259100376e-13 -9.001808307771539e-01 PASS
spack_foss-2022a_cuda_mpi_omp -2.964454097232380e+01 7.105427357601002e-14 2.400482215405744e-01 PASS
GCI_intel_autotools: [intel2023a-serial] -2.964454097232383e+01 3.907985046680551e-14 1.320265218473159e-01 PASS
GCI_foss_mpi_autotools: [foss2023a-mpi] -2.964454097232383e+01 3.552713678800501e-14 1.200241107702872e-01 PASS
spack_foss-2023a_serial_opt -2.964454097232413e+01 -2.664535259100376e-13 -9.001808307771539e-01 PASS
GCI_foss_mpi_min_autotools: [foss2023a-mpi] -2.964454097232377e+01 9.947598300641403e-14 3.360675101568041e-01 PASS
GCI_foss_omp_autotools: [foss2023a-serial] -2.964454097232380e+01 7.105427357601002e-14 2.400482215405744e-01 PASS
spack_foss-2023a_serial_omp -2.964454097232380e+01 7.105427357601002e-14 2.400482215405744e-01 PASS
GCI_foss-cmake: [foss2022a-serial, foss-full] -2.964454097232413e+01 -2.664535259100376e-13 -9.001808307771539e-01 PASS
spack_foss-2023b_serial -2.964454097232413e+01 -2.664535259100376e-13 -9.001808307771539e-01 PASS
spack_intel-2023a_serial -2.964454097232383e+01 3.907985046680551e-14 1.320265218473159e-01 PASS
spack_intel-2022a_serial_omp -2.964454097232360e+01 2.700062395888381e-13 9.121832418541826e-01 PASS
GCI_intel_omp_autotools: [intel2023a-serial] -2.964454097232360e+01 2.700062395888381e-13 9.121832418541826e-01 PASS
GCI_foss-cmake: [foss2022a-mpi, foss-min-mpi] -2.964454097232376e+01 1.065814103640150e-13 3.600723323108616e-01 PASS
spack_intel-2023a_serial_omp -2.964454097232360e+01 2.700062395888381e-13 9.121832418541826e-01 PASS
GCI_foss_cuda_autotools: [foss2022a-cuda-mpi] -2.964454097232410e+01 -2.380318164796336e-13 -8.041615421609242e-01 PASS
GCI_intel_mpi_autotools: [intel2023a-mpi] -2.964454097232365e+01 2.167155344068306e-13 7.321470756987519e-01 PASS
spack_intel-2023a_impi -2.964454097232364e+01 2.273736754432321e-13 7.681543089298380e-01 PASS
GCI_foss_mpi_omp_autotools: [foss2023a-mpi] -2.964454097232380e+01 7.105427357601002e-14 2.400482215405744e-01 PASS
GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] -2.964454097232381e+01 5.329070518200751e-14 1.800361661554308e-01 PASS
GCI_foss-cmake: [foss2023a-mpi, foss-min-mpi] -2.964454097232376e+01 1.065814103640150e-13 3.600723323108616e-01 PASS
GCI_foss-cmake: [foss2023a-mpi, foss-full-mpi] -2.964454097232381e+01 5.329070518200751e-14 1.800361661554308e-01 PASS
spack_intel-2022a_impi_omp -2.964454097232360e+01 2.629008122312371e-13 8.881784197001252e-01 PASS
spack_foss-2022a_cuda_serial -2.964454097232410e+01 -2.380318164796336e-13 -8.041615421609242e-01 PASS
GCI_intel_mpi_omp_autotools: [intel2022a-mpi] -2.964454097232360e+01 2.629008122312371e-13 8.881784197001252e-01 PASS
GCI_foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] -2.964454097232380e+01 7.105427357601002e-14 2.400482215405744e-01 PASS