Hi Laurence, I am not running mpi, only using rsh/ssh for the plain k-point parallelization. I couldn't really figure out how to make a .machines file to run parallel over k-points on mpi, with one processor per machine.
However, I think Stefaan's tip has gone right to the point: in my job error file I get the following errors: LAPW0 END .machinetmp222: No such file or directory bash: line 0: cd: /afs/atc.unican.es/u/m/mverissi/WIEN2k/sro1sto6: Permission denied Cannot open error-file ERRFLG - couldn't open errorflag-file. The fact that from inside lapw1para the ssh command cannot cd to my home directory puzzles me... it seems to be a system problem, then. However, if you have any suggsestions, they will be more than welcome! Thanks, Marcos On Tue, Jul 27, 2010 at 4:27 PM, Laurence Marks <L-marks at northwestern.edu>wrote: > I doubt (although I may be wrong) that this has anything to do with > the OS. Do you have -traceback in your compile options? This will give > information as to which program this is happening in. Also, are you > running mpi or not? > > 2010/7/27 Marcos Ver?ssimo Alves <marcos.verissimo.alves at gmail.com>: > > Hi Stefaan and Laurence, > > @Stefaan: I will try it. > > @Laurence: it's the latest version, which I have downloaded about two > weeks > > ago. Hope this helps. > > Thanks, > > Marcos > > On Tue, Jul 27, 2010 at 3:47 PM, Laurence Marks < > L-marks at northwestern.edu> > > wrote: > >> > >> Is this the latest version, or an older one? Some changes were made in > >> the error file access in the latest version for mpi reasons. > >> > >> 2010/7/27 Marcos Ver?ssimo Alves <marcos.verissimo.alves at gmail.com>: > >> > Hi all, > >> > > >> > I am experiencing a problem in the execution in parallel over > k-points. > >> > > >> > I have compiled the code successfully in a cluster running Debian > Linux > >> > and > >> > with SGEEE as the queue system using ssh as the means to launch the > >> > instances on the remote nodes, with /bin/bash as the shell. My script > >> > successfully creates a .machines file and when I run runsp_lapw -p -NI > >> > -cc > >> > 0.0001, the process dies. This is because, for some reason, lapw1para > is > >> > not > >> > being able to write to the up(dn)lapw1_*.error files: > >> > > >> > forrtl: severe (47): write to READONLY file, unit 99, file > >> > /afs/atc.unican.es/u/m/mverissi/WIEN2k/sro1sto6/uplapw1_1.error > >> > > >> > And the same happens to the dnlapw1_*.error files. > >> > > >> > lapw0, on the other hand, runs fine. I have set up parallel execution > >> > successfully on my dual-core desktop using ssh, using pretty much the > >> > same > >> > stuff, and it runs perfectly well. > >> > > >> > Now, I have changed the write permissions of the directory (and all > the > >> > files) with chmod -R ugo+rw /afs/atc.unican.es/u..., but to no avail. > >> > Has > >> > anyone experienced any problem like this before? Could there be any > >> > known > >> > (but obscure) reason why lapw1para would not be able to write to its > >> > files, > >> > but lapw0para would? > >> > > >> > Best regards, > >> > > >> > Marcos > >> > > >> > _______________________________________________ > >> > Wien mailing list > >> > Wien at zeus.theochem.tuwien.ac.at > >> > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > >> > > >> > > >> > >> > >> > >> -- > >> Laurence Marks > >> Department of Materials Science and Engineering > >> MSE Rm 2036 Cook Hall > >> 2220 N Campus Drive > >> Northwestern University > >> Evanston, IL 60208, USA > >> Tel: (847) 491-3996 Fax: (847) 491-7820 > >> email: L-marks at northwestern dot edu > >> Web: www.numis.northwestern.edu > >> Chair, Commission on Electron Crystallography of IUCR > >> www.numis.northwestern.edu/ > >> Electron crystallography is the branch of science that uses electron > >> scattering and imaging to study the structure of matter. > >> _______________________________________________ > >> Wien mailing list > >> Wien at zeus.theochem.tuwien.ac.at > >> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > > > > > > _______________________________________________ > > Wien mailing list > > Wien at zeus.theochem.tuwien.ac.at > > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > > > > > > > > -- > Laurence Marks > Department of Materials Science and Engineering > MSE Rm 2036 Cook Hall > 2220 N Campus Drive > Northwestern University > Evanston, IL 60208, USA > Tel: (847) 491-3996 Fax: (847) 491-7820 > email: L-marks at northwestern dot edu > Web: www.numis.northwestern.edu > Chair, Commission on Electron Crystallography of IUCR > www.numis.northwestern.edu/ > Electron crystallography is the branch of science that uses electron > scattering and imaging to study the structure of matter. > _______________________________________________ > Wien mailing list > Wien at zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20100727/c60406a0/attachment.htm>
