Dear Dario Rocca Thank very much for to early response, I did not know of this change from 5.0 to 5.1 version. I think in the case of an abnormal interruption must be restarted from the last geometry, if the run is relax or vc-relax.
My greetings Yenner Student of PhD Central University of Venezuela Science Faculty, Department of Chemistry > Dear Yenner, > in order to restart a calculation has to end smoothly in the previous run > and write the restart files. > The prefix.wfc1 file that you see is probably created only at the moment of > the restart and is, of course, empty > You can find the solution to your problem here > http://www.quantum-espresso.org/wp-content/uploads/Doc/pw_user_guide/node19.html > Best, > Dario Rocca > > On Wed, Aug 12, 2015 at 7:00 PM, Yenner Bentarcurt < > [email protected]> wrote: > >> Dear PWSCF users and developers >> >> Now I carry out simulation of polar surfaces of iron oxides, but when I >> try to restart a >> calculus, this fails and reports the message "error while reading from >> file >> ./wfcdir/prefix.wfc1". When I search for this file in the directory >> ./wfcdir this is present >> but shows 0 bytes. The Namelist &CONTROL for this calculus is >> >> &CONTROL >> restart_mode = 'restart' , >> calculation = 'relax' , >> wf_collect = .true. , >> outdir = './outdir' , >> wfcdir = './wfcdir' , >> pseudo_dir = '/opt/espresso-5.1.2/pseudo/' , >> prefix = 'magh-slab100-3v124-111-pbeUwithcorrefield01-relax02' , >> etot_conv_thr = 1.0D-5 , >> forc_conv_thr = 1.0D-4 , >> nstep = 500 , >> tefield = .true. , >> dipfield = .true. , >> >> >> I'm using of the QE 5.1.2 version, compiled in centOS 7 on a Dell tower >> server with 16 >> processors and 16 Gb of memory >> I hope all your help >> >> >> Yenner >> Student of PhD >> Central University of Venezuela >> Science Faculty, Department of Chemistry >> >> >> _______________________________________________ >> 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
