Match comparison for Benzene Energy [step 0] (match type 23474)

Commits > Commit b6caf805fea115365f1246dd8a44b3bc3b7dd03a > 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
-3.744578235744385e+01 9.000000000000000e-08 -3.744578235744475e+01 1.344292587824650e-13 -3.744578235744481e+01 2.131628207280301e-13 PASS
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Detailed information

Reference: -37.445782357443846, precision: 0.00000009
Run Value Difference Relative difference Status
spack_foss-2022a_serial_min -3.744578235744460e+01 -7.531752999057062e-13 -8.368614443396736e-06 PASS
spack_foss-2023a_serial_min -3.744578235744460e+01 -7.531752999057062e-13 -8.368614443396736e-06 PASS
spack_foss-2022a_serial_opt -3.744578235744460e+01 -7.531752999057062e-13 -8.368614443396736e-06 PASS
spack_foss-2022a_serial -3.744578235744460e+01 -7.531752999057062e-13 -8.368614443396736e-06 PASS
spack_foss-2022a_ppc -3.744578235744483e+01 -9.805489753489383e-13 -1.089498861498820e-05 PASS
spack_foss-2022a_mpi_min -3.744578235744484e+01 -9.947598300641403e-13 -1.105288700071267e-05 PASS
spack_foss-2023a_mpi_min -3.744578235744484e+01 -9.947598300641403e-13 -1.105288700071267e-05 PASS
spack_foss-2022a_serial_debug -3.744578235744460e+01 -7.531752999057062e-13 -8.368614443396736e-06 PASS
spack_foss-2022a_mpi_opt -3.744578235744484e+01 -9.947598300641403e-13 -1.105288700071267e-05 PASS
spack_intel-2022a_serial_omp -3.744578235744492e+01 -1.072919530997751e-12 -1.192132812219724e-05 PASS
spack_foss-2022a_mpi -3.744578235744484e+01 -9.947598300641403e-13 -1.105288700071267e-05 PASS
spack_foss-2022a_cuda_serial -3.744578235744464e+01 -7.958078640513122e-13 -8.842309600570135e-06 PASS
spack_intel-2023a_impi -3.744578235744464e+01 -7.958078640513122e-13 -8.842309600570135e-06 PASS
spack_foss-2022a_mpi_debug -3.744578235744484e+01 -9.947598300641403e-13 -1.105288700071267e-05 PASS
spack_foss-2022a_cuda_mpi_omp -3.744578235744473e+01 -8.810729923425242e-13 -9.789699914916937e-06 PASS
spack_intel-2022a_impi_omp -3.744578235744503e+01 -1.179500941361766e-12 -1.310556601513074e-05 PASS