Match comparison for y (O) (t=200 au) (match type 17039)

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

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-9.292331809823001e-18 1.000000000000000e-04 -8.516896954733713e-18 3.300152579489656e-18 -8.442082439127588e-18 6.622380862767567e-18 PASS

Checks for this match

  • Precision seems large and value close to zero. Should value be 0?
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Detailed information

Reference: -0.000000000000000009292331809823, precision: 0.0001
Run Value Difference Relative difference Status
cmake_foss_2022a_full_serial -8.897112984625568e-18 3.952188251974329e-19 3.952188251974329e-15 PASS
foss-2022a_ppc -1.819701576360020e-18 7.472630233462980e-18 7.472630233462980e-14 PASS
spack_foss-2022a_serial -8.897112984625568e-18 3.952188251974329e-19 3.952188251974329e-15 PASS
foss-2022a_opt -8.897112984625568e-18 3.952188251974329e-19 3.952188251974329e-15 PASS
intel-2022a -9.791944745403741e-18 -4.996129355807401e-19 -4.996129355807401e-15 PASS
cmake_foss_2022a_full_mpi -8.897112984625568e-18 3.952188251974329e-19 3.952188251974329e-15 PASS
spack_foss-2022a_serial_omp -4.296896512235347e-18 4.995435297587653e-18 4.995435297587653e-14 PASS
foss-2022a_omp -4.296896512235347e-18 4.995435297587653e-18 4.995435297587653e-14 PASS
eb_fosscuda-2022a -1.227513511025151e-17 -2.982803300428505e-18 -2.982803300428505e-14 PASS
intel-2022a_omp -9.791944745403741e-18 -4.996129355807401e-19 -4.996129355807401e-15 PASS
eb_foss-2022a -8.897112984625568e-18 3.952188251974329e-19 3.952188251974329e-15 PASS
eb_foss-2022b_libxc6 -8.897112984625568e-18 3.952188251974329e-19 3.952188251974329e-15 PASS
intel-2022b -1.506446330189515e-17 -5.772131492072154e-18 -5.772131492072154e-14 PASS