Match comparison for Multipoles [step 103] (match type 30957)

Commits > Commit c461bdde143a1ab201b7896fffa943f7e4c29d0f > Input 23-td_qedft_breit_pxlda_adiabatic.03-td_restart.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
3.943654428896824e-03 1.990000000000000e-13 3.943654428859090e-03 1.370029900279350e-13 3.943654428891754e-03 1.754013601029669e-13 PASS
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Detailed information

Reference: 0.003943654428896824, precision: 0.000000000000199
Run Value Difference Relative difference Status
foss-cmake-zen4: [foss2023a-serial, foss-min] 3.943654428880713e-03 -1.611124428313460e-14 -8.096102654841505e-02 PASS
foss-cmake-zen4: [foss2023a-serial, foss-full] 3.943654428864397e-03 -3.242718593643446e-14 -1.629506830976606e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] 3.943654428717270e-03 -1.795534207427174e-13 -9.022784961945598e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] 3.943654428788437e-03 -1.083872575025069e-13 -5.446595854397330e-01 PASS
foss-serial-min: [foss2023a-serial] 3.943654429046001e-03 1.491775453166255e-13 7.496359061136961e-01 PASS
foss_cmake: [foss2022a-serial, foss-min] 3.943654429046001e-03 1.491775453166255e-13 7.496359061136961e-01 PASS
foss-serial-min: [foss2022a-serial] 3.943654429046001e-03 1.491775453166255e-13 7.496359061136961e-01 PASS
foss-serial-min: [foss2023b-serial] 3.943654429046001e-03 1.491775453166255e-13 7.496359061136961e-01 PASS
foss_cmake: [foss2022a-serial, foss-full] 3.943654429051575e-03 1.547512118449390e-13 7.776442806278342e-01 PASS
intel-serial: [intel2023a-serial] 3.943654428952741e-03 5.591707652463640e-14 2.809903342946553e-01 PASS
foss-opt-full: [foss2023a-serial] 3.943654429051575e-03 1.547512118449390e-13 7.776442806278342e-01 PASS
foss-serial-full: [foss2023b-serial] 3.943654429046001e-03 1.491775453166255e-13 7.496359061136961e-01 PASS
foss-serial-full: [foss2023a-serial] 3.943654429046001e-03 1.491775453166255e-13 7.496359061136961e-01 PASS
foss-ppc: [foss2022a-serial] 3.943654429067155e-03 1.703316307444247e-13 8.559378429368075e-01 PASS
foss-serial-debug: [foss2023a-serial] 3.943654429046001e-03 1.491775453166255e-13 7.496359061136961e-01 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] 3.943654428716353e-03 -1.804710894615091e-13 -9.068898967915031e-01 PASS
intel_omp_autotools: [intel2022a-serial] 3.943654428719418e-03 -1.774058330794581e-13 -8.914865983892367e-01 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] 3.943654428716353e-03 -1.804710894615091e-13 -9.068898967915031e-01 PASS
foss-omp-full: [foss2023a-serial] 3.943654428716896e-03 -1.799281210135284e-13 -9.041614121282834e-01 PASS
foss-mpi-opt-full: [foss2023a-mpi] 3.943654428716353e-03 -1.804710894615091e-13 -9.068898967915031e-01 PASS
intel_omp_autotools: [intel2023a-serial] 3.943654428719418e-03 -1.774058330794581e-13 -8.914865983892367e-01 PASS
foss-mpi-full: [foss2023a-mpi] 3.943654428719201e-03 -1.776226735139552e-13 -8.925762488138452e-01 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] 3.943654428803014e-03 -9.380950877213579e-14 -4.714045666941497e-01 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] 3.943654428803014e-03 -9.380950877213579e-14 -4.714045666941497e-01 PASS
cuda-serial: [foss2022a-cuda-mpi] 3.943654428786918e-03 -1.099060079057246e-13 -5.522914970136913e-01 PASS
intel_mpi_autotools: [intel2023a-mpi] 3.943654428755892e-03 -1.409315372735698e-13 -7.081986797666823e-01 PASS
foss-mpi-min: [foss2023a-mpi] 3.943654428803014e-03 -9.380950877213579e-14 -4.714045666941497e-01 PASS
foss-mpi-min: [foss2022a-mpi] 3.943654428803014e-03 -9.380950877213579e-14 -4.714045666941497e-01 PASS
foss-mpi-debug: [foss2023a-mpi] 3.943654428719201e-03 -1.776226735139552e-13 -8.925762488138452e-01 PASS
foss-mpi-omp-full: [foss2023a-mpi] 3.943654428749477e-03 -1.473465446877320e-13 -7.404348979283015e-01 PASS
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] 3.943654428792324e-03 -1.044997421928429e-13 -5.251243326273510e-01 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] 3.943654428725619e-03 -1.712050640145790e-13 -8.603269548471307e-01 PASS
valgrind: [foss2023a-serial] 3.943654428888600e-03 -8.223456637868054e-15 -4.132390270285454e-02 PASS