On Mon, 2014-09-01 at 10:05 +0200, Giovanni La Penna wrote: > I have the same problem running PW relax calculations with: > > vdw_corr='grimme-d2' > > I noticed the core dump when writing the > forces at scf convergence.
This problem, if related to case vdw_corr='grimme-d2' with OpenMP, might have been fixed one month ago in the svn version. See rev.11078: http://qe-forge.org/gf/project/q-e/scmsvn/?action=browse&path=% 2F&view=rev&revision=11078 P. > No errors if no convergence is achieved (electron_maxstep=1). > Then I found that removing > > tprnfor=.true. > > the scf calculation ends normally. But tprnfor > is true by default for relax calculations. > It seems a problem related with vdw forces. > > Version: espresso-5.1 > Architecture: Intel core-i7 > OS: Linux Ubuntu 14.04 > Compiler: Intel Ifort 14.0.3 20140422 > > Giovanni La Penna (CNR, Italy) > > On Fri, 29 Aug 2014, Paolo Giannozzi wrote: > > > On Thu, 2014-08-21 at 17:03 +0800, ??? wrote: > > > >> forrtl: severe (174): SIGSEGV, segmentation fault occurred > > > > http://www.quantum-espresso.org/faq/frequent-errors-during-execution/#5.2 > > > > You haven't provided any evidence that the problem is related to the > > "vdw_corr" tag, by the way. > > > > P. > > -- > > Paolo Giannozzi, Dept. Chemistry&Physics&Environment, > > Univ. Udine, via delle Scienze 208, 33100 Udine, Italy > > Phone +39-0432-558216, fax +39-0432-558222 > > > > _______________________________________________ > > Pw_forum mailing list > > Pw_forum at pwscf.org > > http://pwscf.org/mailman/listinfo/pw_forum > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum
