It was stopped for CPU time limit. Dr. Juliana M. Morbec Postdoctoral Researcher Institute for Molecular Engineering, The University of Chicago
On Wed Feb 04 2015 at 2:49:54 PM Paolo Giannozzi <[email protected]> wrote: > How was the calculation you restart from obtained? > Normal end with no convergence, stopped for cpu time > limit, stopped by user with EXIT file? > > P. > > On Wed, 2015-02-04 at 17:14 +0000, Juliana Morbec wrote: > > Dear All. > > > > > > I am trying to perform vc-relax calculations (with version 5.1.1), but > > when I try to restart the calculations I got the following error > > message: > > > > > > %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% > > Error in routine pw_readfile (1): > > error opening xml data file > > %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% > > > > > > I have tried this calculation in two different machines and got the > > same error. I am sending here my input and output files. > > > > > > Could someone help me with this problem, please? > > > > > > Thank you, > > > > > > Dr. Juliana M. Morbec > > Postdoctoral Researcher > > Institute for Molecular Engineering, The University of Chicago > > > > > > > > > > > > > > > > > > _______________________________________________ > > Pw_forum mailing list > > [email protected] > > http://pwscf.org/mailman/listinfo/pw_forum > > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum >
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