On Aug 20, 2011, at 3:05 , Jose Luis Gordillo Ruiz wrote: > I always got discrepancies in lda+U_force, lda+U_gamma, > noncolin-constrain_total and relax2-bfgs_ndim3 and relax2. > Additionally, intel and pathscale produce discrepancies in > md-pot_extrap2. > > any suggestions?
if they are small, ignore them. The tests you mention yield very easily minor differences between different machines P. --- Paolo Giannozzi, Dept of Chemistry&Physics&Environment, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
