Match comparison for Fz (H) (t=200 au) (match type 17055)

Commits > Commit abc749737cc12a5b79d975879ed425be2e62065f > Input 10-dftbplus_verlet.01-water.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
4.530246916387000e-03 1.000000000000000e-04 4.530246916132019e-03 2.604974667449748e-13 4.530246916195566e-03 5.041661532700914e-13 PASS
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Detailed information

Reference: 0.004530246916387, precision: 0.0001
Run Value Difference Relative difference Status
cmake_foss_2022a_full_serial 4.530246916169323e-03 -2.176774385742597e-13 -2.176774385742597e-09 PASS
spack_foss-2022a_serial_opt 4.530246916169323e-03 -2.176774385742597e-13 -2.176774385742597e-09 PASS
spack_foss-2022a_serial 4.530246916169323e-03 -2.176774385742597e-13 -2.176774385742597e-09 PASS
foss-2022a_opt 4.530246916169323e-03 -2.176774385742597e-13 -2.176774385742597e-09 PASS
intel-2022b 4.530246916699732e-03 3.127316114404088e-13 3.127316114404088e-09 PASS
intel-2022a 4.530246916009353e-03 -3.776466986349369e-13 -3.776466986349369e-09 PASS
cmake_foss_2022a_full_mpi 4.530246916169323e-03 -2.176774385742597e-13 -2.176774385742597e-09 PASS
spack_foss-2022a_serial_omp 4.530246915691399e-03 -6.956006950997740e-13 -6.956006950997740e-09 PASS
eb_fosscuda-2022a 4.530246916002248e-03 -3.847521259925379e-13 -3.847521259925379e-09 PASS
foss-2022a_omp 4.530246915691399e-03 -6.956006950997740e-13 -6.956006950997740e-09 PASS
foss-2022a_ppc 4.530246916559524e-03 1.725243212180594e-13 1.725243212180594e-09 PASS
intel-2022a_omp 4.530246916009353e-03 -3.776466986349369e-13 -3.776466986349369e-09 PASS
eb_foss-2022a 4.530246916169323e-03 -2.176774385742597e-13 -2.176774385742597e-09 PASS
eb_foss-2022b_libxc6 4.530246916169323e-03 -2.176774385742597e-13 -2.176774385742597e-09 PASS