On Tue, Mar 6, 2012 at 8:01 PM, pascal boulet <pascal.boulet at univ-amu.fr>wrote:
> Dear G.Shwetha , > > I might be wrong but the command in TiN.sh to submit the calculation > looks wrong. > My feeling is that you should substitute : > $WIENROOT/run_lapw -p -NI -ec .0000001 -I > for: > echo $WIENROOT run_lapw -p -NI -ec .0000001 -I > > Best regards > Pascal > > On 06/03/2012 10:27, shwetha gummula wrote: > > Dear P.Blaha and Wien2k Users, > > > > We are using WIEN2k 11.1 on Red Hat 5.6 version in our HPC. > > We have Intel 10 version Fortran compiler in our machine. We are > > trying to submit the job using the PBS Script file for k-point > > parallelization. When we submitting the job using qsub case.sh, it is > > giving the job ID but in the status it is not showing any job ID (when > > we give the command qstat). It is creating the machine file but it is > > not showing any error in the error file and output file (it is not > > creating any other files). I just want to know whether the job is > > running or not, or whether it is problem with my script file? > > But when I submit with the command mode on the terminal like : giving > > run_lapw -ec 0.00001 it is working and creating other files. > > Please, Can any one help to solve this problem. > > Here I'm attaching the script file. > > Thanking You > > > > > > G.Shwetha > > shwetha.gummula at gmail.com <mailto:shwetha.gummula at gmail.com> > > > > > > _______________________________________________ > > Wien mailing list > > Wien at zeus.theochem.tuwien.ac.at > > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > > -- > Pascal Boulet, PhD, computational chemist > Aix-Marseille Universit? > Laboratoire MADIREL > Avenue Normandie-Niemen > 13397 Marseille Cedex 20 > France > ********** > Tel. (+33) (0)413.55.18.10 > Fax. (+33) (0)413.55.18.50 > ********** > pascal.boulet at univ-amu.fr > ********** > https://sites.google.com/a/univ-provence.fr/pb-comput-chem > %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% > > * > * Anglais > * Fran?ais > > * Anglais > * Fran?ais > > <javascript:void(0);> > _______________________________________________ > Wien mailing list > Wien at zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > Dear Pascal and Wien2k users, Thank you for your reply. We already tried by substituting echo $WIENROOT run_lapw -p -NI -ec .0000001 by $WIENROOT/run_lapw -p -NI -ec .0000001 -I but no change we observed. Thanking you Regards G.Shwetha shwetha.gummula at gmail.com -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120306/f1d27bb1/attachment.htm>
