Match comparison for Tamm-Dancoff spectrum z (match type 13649)

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

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
1.214063000000000e+01 6.070000000000000e-05 1.214062888888889e+01 1.571348402621480e-05 1.214063000000000e+01 2.000000000013102e-05 PASS

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Detailed information

Reference: 12.14063, precision: 0.0000607
Run Value Difference Relative difference Status
cmake_foss_2022a_full_serial 1.214064000000000e+01 9.999999999621423e-06 1.647446457927747e-01 PASS
spack_foss-2022a_serial_min 1.214064000000000e+01 9.999999999621423e-06 1.647446457927747e-01 PASS
foss-2022a_ppc 1.214061000000000e+01 -1.999999999924285e-05 -3.294892915855493e-01 PASS
spack_foss-2022a_serial_opt 1.214064000000000e+01 9.999999999621423e-06 1.647446457927747e-01 PASS
spack_foss-2022a_serial 1.214064000000000e+01 9.999999999621423e-06 1.647446457927747e-01 PASS
foss-2022a_opt 1.214065000000000e+01 2.000000000101920e-05 3.294892916148139e-01 PASS
intel-2022b 1.214061000000000e+01 -1.999999999924285e-05 -3.294892915855493e-01 PASS
intel-2022a 1.214061000000000e+01 -1.999999999924285e-05 -3.294892915855493e-01 PASS
spack_foss-2022a_serial_omp 1.214065000000000e+01 2.000000000101920e-05 3.294892916148139e-01 PASS
cmake_foss_2022a_full_mpi 1.214064000000000e+01 9.999999999621423e-06 1.647446457927747e-01 PASS
spack_foss-2022a_serial_debug 1.214064000000000e+01 9.999999999621423e-06 1.647446457927747e-01 PASS
foss-2022a_omp 1.214065000000000e+01 2.000000000101920e-05 3.294892916148139e-01 PASS
intel-2022a_omp 1.214063000000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
intel-2022b_impi 1.214061000000000e+01 -1.999999999924285e-05 -3.294892915855493e-01 PASS
intel-2022a_impi 1.214061000000000e+01 -1.999999999924285e-05 -3.294892915855493e-01 PASS
eb_fosscuda-2022a_mpi_omp 1.214061000000000e+01 -1.999999999924285e-05 -3.294892915855493e-01 PASS
eb_fosscuda-2022a 1.214061000000000e+01 -1.999999999924285e-05 -3.294892915855493e-01 PASS
cmake_foss_2022a_min_serial 1.214064000000000e+01 9.999999999621423e-06 1.647446457927747e-01 PASS
foss-2022a_mpi_omp 1.214063000000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
cmake_foss_2022a_min_mpi 1.214061000000000e+01 -1.999999999924285e-05 -3.294892915855493e-01 PASS
eb_foss-2022a 1.214065000000000e+01 2.000000000101920e-05 3.294892916148139e-01 PASS
eb_foss-2022b_libxc6 1.214063000000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
eb_foss-2022a_debug 1.214065000000000e+01 2.000000000101920e-05 3.294892916148139e-01 PASS
intel-2022a_omp_impi 1.214061000000000e+01 -1.999999999924285e-05 -3.294892915855493e-01 PASS
eb_foss-2022a_mpi 1.214063000000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
eb_foss-2022b_libxc6_mpi 1.214061000000000e+01 -1.999999999924285e-05 -3.294892915855493e-01 PASS
eb_foss-2022a_mpi_debug 1.214063000000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS