Dear Stefano, Thanks for your answer.
I'm not absolutely sure what it is. I did some tests that led me to this conclusion. Initially I have started the NEB method without using the image parallelization level and the PWscf seems to be running correctly. Below the command line I'm using: mpirun -n $NSLOTS /home/u/almartin/intel/espresso-4.1.2/bin/pw.x < /home/u/almartin/cosb3/neb/cosb3_neb.in But when I run with two images I got the following error: forrtl: severe (67): input statement requires too much data, unit 16, file /dados/almartin/neb/neb.igk6 The command line I'm using is: mpirun -n $NSLOTS /home/u/almartin/intel/espresso-4.1.2/bin/pw.x -nimage 2 < /home/u/almartin/cosb3/neb/cosb3_neb.in The "/dados/almartin/neb/" is a shared file system directory. I'm using an infrastructure in which I can not use a local directory as output or temporary directory. I did some searching the Web and found that this error occurs due to overwritten files. Best regards, Andre Martinotto Email: almartinotto at gmail.com Computing Department Universidade de Caxias do Sul Caxias do Sul - RS, Brazil On Mon, Aug 9, 2010 at 12:09 PM, Stefano de Gironcoli <degironc at sissa.it>wrote: > Dear Andre Martinotto > I don't think this should be the case....why do you think it could be > that ? > Even if this were happening (which I think shouldn't) the .igk file > of each image should be the same so your problem is something else. Are > you sure you are not running two instances of the same job concurrently > ? or two different jobs using the same outdir ... ? > Stefano de Gironcoli - SISSA and DEMOCRITOS > > Andre Martinotto wrote: > > Dear all, > > > > I try to run NEB calculation, but I am having a problem trying to use the > > image parallelization level. > > I have the outdir and wfcdir directories on a shared file system e I > think > > that the images are overwriting the .igk of the other images. How could > > solve this problem? > > > > Thank you very much. > > > > Andre > > Email: almartinotto at gmail.com > > Computing Department > > Universidade de Caxias do Sul > > Caxias do Sul - RS, Brazil > > > > > > ------------------------------------------------------------------------ > > > > _______________________________________________ > > Pw_forum mailing list > > Pw_forum at pwscf.org > > http://www.democritos.it/mailman/listinfo/pw_forum > > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20100809/81fd5bab/attachment.htm
