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

Commits > Commit 3f59639a2c09960e9ce8b923e2789a20396f5ecf > Input 01-casida.09-spectrum.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
8.295448000000000e+00 4.150000000000000e-05 8.295455222222222e+00 8.945652092267648e-06 8.295449000000001e+00 1.300000000004076e-05 PASS
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Detailed information

Reference: 8.295448, precision: 0.0000415
Run Value Difference Relative difference Status
spack_foss-2022a_serial_min 8.295460000000000e+00 1.199999999990098e-05 2.891566265036380e-01 PASS
spack_foss-2022a_serial 8.295460000000000e+00 1.199999999990098e-05 2.891566265036380e-01 PASS
spack_foss-2023a_serial_min 8.295460000000000e+00 1.199999999990098e-05 2.891566265036380e-01 PASS
spack_foss-2023a_serial 8.295460000000000e+00 1.199999999990098e-05 2.891566265036380e-01 PASS
cmake_foss_2022a_full_serial 8.295460000000000e+00 1.199999999990098e-05 2.891566265036380e-01 PASS
spack_foss-2022a_ppc 8.295439000000000e+00 -9.000000000369823e-06 -2.168674698884295e-01 PASS
spack_foss-2023a_mpi_min 8.295458999999999e+00 1.099999999887302e-05 2.650602409366993e-01 PASS
spack_foss-2022a_mpi_min 8.295458999999999e+00 1.099999999887302e-05 2.650602409366993e-01 PASS
cmake_foss_2022a_full_mpi 8.295458999999999e+00 1.099999999887302e-05 2.650602409366993e-01 PASS
spack_foss-2023a_serial_debug 8.295460000000000e+00 1.199999999990098e-05 2.891566265036380e-01 PASS
spack_foss-2023a_mpi_opt 8.295458999999999e+00 1.099999999887302e-05 2.650602409366993e-01 PASS
spack_foss-2022a_mpi 8.295458999999999e+00 1.099999999887302e-05 2.650602409366993e-01 PASS
spack_foss-2023a_mpi 8.295458999999999e+00 1.099999999887302e-05 2.650602409366993e-01 PASS
spack_foss-2022a_cuda_serial 8.295462000000001e+00 1.400000000018053e-05 3.373493975947117e-01 PASS
cmake_foss_2022a_min_mpi 8.295437000000000e+00 -1.100000000064938e-05 -2.650602409795031e-01 PASS
spack_foss-2023a_mpi_debug 8.295458999999999e+00 1.099999999887302e-05 2.650602409366993e-01 PASS
spack_foss-2023a_mpi_omp 8.295443000000001e+00 -4.999999999810711e-06 -1.204819277062822e-01 PASS
spack_foss-2022a_cuda_mpi_omp 8.295461000000000e+00 1.299999999915258e-05 3.132530120277730e-01 PASS
cmake_foss_2022a_min_serial 8.295460000000000e+00 1.199999999990098e-05 2.891566265036380e-01 PASS
spack_foss-2023a_serial_opt 8.295460000000000e+00 1.199999999990098e-05 2.891566265036380e-01 PASS
spack_foss-2023b_serial 8.295460000000000e+00 1.199999999990098e-05 2.891566265036380e-01 PASS
spack_foss-2023a_serial_omp 8.295439000000000e+00 -9.000000000369823e-06 -2.168674698884295e-01 PASS
spack_intel-2023a_serial 8.295438000000001e+00 -9.999999999621423e-06 -2.409638554125644e-01 PASS
spack_intel-2022a_serial_omp 8.295436000000000e+00 -1.199999999990098e-05 -2.891566265036380e-01 PASS
spack_intel-2023a_serial_omp 8.295462000000001e+00 1.400000000018053e-05 3.373493975947117e-01 PASS
spack_intel-2023a_impi 8.295460000000000e+00 1.199999999990098e-05 2.891566265036380e-01 PASS
spack_intel-2022a_impi_omp 8.295461000000000e+00 1.299999999915258e-05 3.132530120277730e-01 PASS