Thank you very much Davide for your reply and suggestions. I'm using gfortran and mpif90 compilers.
I have tried to run gipaw.x with '-ndiag 1' but is not changing anything. I have compiled SVN version of QE and then using 'svn checkout svn://cvs.qe-forge.org/scmrepos/svn/qe-gipaw/trunk qe-gipaw' downloaded SVN version of gipaw. But when I'm trying to compile it error occurs: checking quantum-Espresso version... 5.1rc2 configure: error: Cannot compile against this version of quantum-Espresso how could I go around that? To be honest, I'm not fully aware of the I/O bound, and I don't know how to identify it as a bottleneck. Thanks for checking my inputs. Fact that they are running on your machine means something fishy with my installation. best, Aleksander On Tue, 13 May 2014 14:01:43 +0200, Davide Ceresoli <davide.ceresoli at istm.cnr.it> wrote: > Dear Aleksander, > the gipaw behavior you reported is clearly odd. The initialization > phase should last few seconds and do not consume much memory. > > I've just tested your input files and they work on my machine. > In your case, GIPAW appears to be stuck while reading the charge > density or in check_para_diag routine. Could you have an I/O problem? > Which compiler/MPI are you using? > > Could you try gipaw with '-ndiag 1'? or, could you try the SVN > version (both QE and GIPAW)? > > Let me know if nothing can work. > > Best, > Davide > > > > > On 05/12/2014 05:18 PM, Aleksander Jaworski wrote: >> Dear QE users and developers, >> >> >> I'm experiencing issues with running gipaw.x on the glass structures >> which >> have been created from the classical MD simulations trajectories. >> On the glass pw.x is running smoothly and converging properly. Gipaw.x is >> starting, but showing very strange behavior in terms of memory handling >> and >> never terminating the job. > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum
