Match comparison for x (H) (t=200 au) (match type 17044)

Commits > Commit 9c86d3f9e0672ab6f34186f0e6ca5b729d8f047e > Input 10-dftbplus_verlet.01-water.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-1.447837823412000e+00 1.000000000000000e-04 -1.447837823412281e+00 9.683716280124614e-14 -1.447837823412240e+00 1.609823385706477e-13 PASS

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Detailed information

Reference: -1.447837823412, precision: 0.0001
Run Value Difference Relative difference Status
cmake_foss_2022a_full_serial -1.447837823412274e+00 -2.737809978725636e-13 -2.737809978725636e-09 PASS
foss-2022a_ppc -1.447837823412083e+00 -8.304468224196171e-14 -8.304468224196171e-10 PASS
spack_foss-2022a_serial -1.447837823412274e+00 -2.737809978725636e-13 -2.737809978725636e-09 PASS
foss-2022a_opt -1.447837823412274e+00 -2.737809978725636e-13 -2.737809978725636e-09 PASS
intel-2022a -1.447837823412401e+00 -4.012346010995316e-13 -4.012346010995316e-09 PASS
cmake_foss_2022a_full_mpi -1.447837823412274e+00 -2.737809978725636e-13 -2.737809978725636e-09 PASS
spack_foss-2022a_serial_omp -1.447837823412349e+00 -3.486100297322992e-13 -3.486100297322992e-09 PASS
foss-2022a_omp -1.447837823412349e+00 -3.486100297322992e-13 -3.486100297322992e-09 PASS
eb_fosscuda-2022a -1.447837823412079e+00 -7.926992395823618e-14 -7.926992395823618e-10 PASS
intel-2022a_omp -1.447837823412401e+00 -4.012346010995316e-13 -4.012346010995316e-09 PASS
eb_foss-2022a -1.447837823412274e+00 -2.737809978725636e-13 -2.737809978725636e-09 PASS
eb_foss-2022b_libxc6 -1.447837823412274e+00 -2.737809978725636e-13 -2.737809978725636e-09 PASS
intel-2022b -1.447837823412341e+00 -3.415046023746982e-13 -3.415046023746982e-09 PASS