Match comparison for x (H) (t=200 au) (match type 17041)

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 1.447837823412243e+00 1.163707660415612e-13 1.447837823412186e+00 2.150501998698928e-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 1.447837823412279e+00 2.786659791809143e-13 2.786659791809143e-09 PASS
foss-2022a_omp 1.447837823412279e+00 2.786659791809143e-13 2.786659791809143e-09 PASS
eb_fosscuda-2022a 1.447837823411971e+00 -2.886579864025407e-14 -2.886579864025407e-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 1.447837823412108e+00 1.079136779935652e-13 1.079136779935652e-09 PASS