Match comparison for Tamm-Dancoff spectrum tot (match type 13650)

Commits > Commit daa93de2f371acc02c8ba320d7b5759725cfd1f4 > Input 01-casida.09-spectrum.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
8.295448000000000e+00 4.150000000000000e-05 8.295449814814813e+00 1.044575773210760e-05 8.295448499999999e+00 1.350000000055473e-05 PASS
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Detailed information

Reference: 8.295448, precision: 0.0000415
Run Value Difference Relative difference Status
cmake_foss_2022a_full_serial 8.295460000000000e+00 1.199999999990098e-05 2.891566265036380e-01 PASS
spack_foss-2022a_serial_min 8.295460000000000e+00 1.199999999990098e-05 2.891566265036380e-01 PASS
foss-2022a_ppc 8.295434999999999e+00 -1.300000000092894e-05 -3.132530120705768e-01 PASS
spack_foss-2022a_serial_opt 8.295460000000000e+00 1.199999999990098e-05 2.891566265036380e-01 PASS
spack_foss-2022a_serial 8.295460000000000e+00 1.199999999990098e-05 2.891566265036380e-01 PASS
foss-2022a_opt 8.295461000000000e+00 1.299999999915258e-05 3.132530120277730e-01 PASS
intel-2022b 8.295437000000000e+00 -1.100000000064938e-05 -2.650602409795031e-01 PASS
intel-2022a 8.295437000000000e+00 -1.100000000064938e-05 -2.650602409795031e-01 PASS
spack_foss-2022a_serial_omp 8.295460000000000e+00 1.199999999990098e-05 2.891566265036380e-01 PASS
cmake_foss_2022a_full_mpi 8.295458999999999e+00 1.099999999887302e-05 2.650602409366993e-01 PASS
spack_foss-2022a_serial_debug 8.295460000000000e+00 1.199999999990098e-05 2.891566265036380e-01 PASS
foss-2022a_omp 8.295462000000001e+00 1.400000000018053e-05 3.373493975947117e-01 PASS
intel-2022a_omp 8.295448000000000e+00 0.000000000000000e+00 0.000000000000000e+00 PASS
intel-2022b_impi 8.295437000000000e+00 -1.100000000064938e-05 -2.650602409795031e-01 PASS
intel-2022a_impi 8.295437000000000e+00 -1.100000000064938e-05 -2.650602409795031e-01 PASS
eb_fosscuda-2022a_mpi_omp 8.295439000000000e+00 -9.000000000369823e-06 -2.168674698884295e-01 PASS
eb_fosscuda-2022a 8.295439000000000e+00 -9.000000000369823e-06 -2.168674698884295e-01 PASS
cmake_foss_2022a_min_serial 8.295460000000000e+00 1.199999999990098e-05 2.891566265036380e-01 PASS
foss-2022a_mpi_omp 8.295449000000000e+00 9.999999992515995e-07 2.409638552413493e-02 PASS
cmake_foss_2022a_min_mpi 8.295437000000000e+00 -1.100000000064938e-05 -2.650602409795031e-01 PASS
eb_foss-2022a 8.295461000000000e+00 1.299999999915258e-05 3.132530120277730e-01 PASS
eb_foss-2022b_libxc6 8.295451999999999e+00 3.999999998782755e-06 9.638554213934350e-02 PASS
eb_foss-2022a_debug 8.295461000000000e+00 1.299999999915258e-05 3.132530120277730e-01 PASS
intel-2022a_omp_impi 8.295437000000000e+00 -1.100000000064938e-05 -2.650602409795031e-01 PASS
eb_foss-2022a_mpi 8.295450000000001e+00 2.000000000279556e-06 4.819277109107364e-02 PASS
eb_foss-2022b_libxc6_mpi 8.295437000000000e+00 -1.100000000064938e-05 -2.650602409795031e-01 PASS
eb_foss-2022a_mpi_debug 8.295450000000001e+00 2.000000000279556e-06 4.819277109107364e-02 PASS