Match comparison for Benzene Multipoles [step 0] (match type 20345)

Commits > Commit dbbd967b788cdda4a2df74a46ac2e5066a09d99b > Input 12-tddft-currents-to-maxwell.04-benzene-mxll-td-full-min-coup.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
0.000000000000000e+00 2.540000000000000e-14 3.375235992417939e-15 7.125849660949462e-15 -2.900962970478424e-15 1.498431286404145e-14 PASS

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Detailed information

Reference: 0.0, precision: 0.0000000000000254
Run Value Difference Relative difference Status
foss-cmake-zen4: [foss2023a-serial, foss-min] -4.170285847873211e-15 -4.170285847873211e-15 -1.641844821997327e-01 PASS
foss-cmake-zen4: [foss2023a-serial, foss-full] -4.170285847873211e-15 -4.170285847873211e-15 -1.641844821997327e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] 6.374606905141410e-15 6.374606905141410e-15 2.509687757929689e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] 2.664141858654740e-16 2.664141858654740e-16 1.048874747501866e-02 PASS
foss-serial-min: [foss2022a-serial] 9.686566873569099e-15 9.686566873569099e-15 3.813609005342165e-01 PASS
foss-serial-min: [foss2023b-serial] 9.686566873569099e-15 9.686566873569099e-15 3.813609005342165e-01 PASS
foss-serial-full: [foss2023b-serial] 9.686566873569099e-15 9.686566873569099e-15 3.813609005342165e-01 PASS
foss_cmake: [foss2022a-serial, foss-full] 9.686566873569099e-15 9.686566873569099e-15 3.813609005342165e-01 PASS
foss_cmake: [foss2022a-serial, foss-min] 9.686566873569099e-15 9.686566873569099e-15 3.813609005342165e-01 PASS
foss-serial-min: [foss2023a-serial] 9.686566873569099e-15 9.686566873569099e-15 3.813609005342165e-01 PASS
intel-serial: [intel2023a-serial] -7.934509405327845e-15 -7.934509405327845e-15 -3.123822600522773e-01 PASS
foss-opt-full: [foss2023a-serial] 9.686566873569099e-15 9.686566873569099e-15 3.813609005342165e-01 PASS
foss-serial-full: [foss2023a-serial] 9.686566873569099e-15 9.686566873569099e-15 3.813609005342165e-01 PASS
foss-serial-debug: [foss2023a-serial] 9.686566873569099e-15 9.686566873569099e-15 3.813609005342165e-01 PASS
foss-ppc: [foss2022a-serial] 2.608085468721185e-15 2.608085468721185e-15 1.026805302646136e-01 PASS
intel-omp: [intel2023a-serial] -2.373515157664166e-15 -2.373515157664166e-15 -9.344547864819551e-02 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] 1.366155950474227e-15 1.366155950474227e-15 5.378566734150501e-02 PASS
intel-omp: [intel2022a-serial] -2.373515157664166e-15 -2.373515157664166e-15 -9.344547864819551e-02 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] 1.366155950474227e-15 1.366155950474227e-15 5.378566734150501e-02 PASS
foss-mpi-full: [foss2023a-mpi] 1.366155950474227e-15 1.366155950474227e-15 5.378566734150501e-02 PASS
foss-omp-full: [foss2023a-serial] 1.208334989356303e-14 1.208334989356303e-14 4.757224367544499e-01 PASS
foss-mpi-opt-full: [foss2023a-mpi] 1.366155950474227e-15 1.366155950474227e-15 5.378566734150501e-02 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] 9.559551550530026e-15 9.559551550530026e-15 3.763602972649616e-01 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] 9.559551550530026e-15 9.559551550530026e-15 3.763602972649616e-01 PASS
foss-mpi-min: [foss2022a-mpi] 9.559551550530026e-15 9.559551550530026e-15 3.763602972649616e-01 PASS
intel_mpi_autotools: [intel2023a-mpi] -1.159657467798307e-14 -1.159657467798307e-14 -4.565580581883100e-01 PASS
foss-mpi-debug: [foss2023a-mpi] 1.366155950474227e-15 1.366155950474227e-15 5.378566734150501e-02 PASS
cuda-serial: [foss2022a-cuda-mpi] 2.053981346479414e-15 2.053981346479414e-15 8.086540734170922e-02 PASS
foss-mpi-min: [foss2023a-mpi] 9.559551550530026e-15 9.559551550530026e-15 3.763602972649616e-01 PASS
foss-mpi-omp-full: [foss2023a-mpi] -1.198745029123316e-16 -1.198745029123316e-16 -4.719468618595733e-03 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] -1.788527583451988e-14 -1.788527583451988e-14 -7.041447178944833e-01 PASS
cuda-mpi-omp: [foss2022a-cuda-mpi] 2.996862572808291e-15 2.996862572808291e-15 1.179867154648933e-01 PASS