2012/11/30 Anu Nagarajan <[email protected]>: > Thank you for your reply Christoph. I tried what you suggested but I still > get this error from csg_resample - > > /home/anu/votca_dev/share/votca/scripts/inverse/calc_thermforce.sh: line 1: > 19790 Segmentation fault "$@" A seg faullt is never good. > ############################################################################################################################################################################################################################################################################################################################################################# > # > # > # ERROR: > # > # critical: 'csg_resample --type cubic --in SWA.sym.dens --out > SWA.extended.dens --grid 1.5:0.1:6.5 --comment Created on Fri Nov 30 > 15:20:44 EST 2012 > called from calc_thermforce.sh, version 1.2.3 hgid: 1234c5028e9d > settings file: /home/anu/votca_dev/tf/settings.xml > working directory: /home/anu/votca_dev/tf/step_000' failed # > # Can you run $ csg_resample --type cubic --in SWA.sym.dens --out SWA.extended.dens --grid 1.5:0.1:6.5 manually in last step and see if it segfaults as well.
And maybe have a look at SWA.sym.dens to see if it is is well defined. Christoph > > > Am I missing something? > > Anu > > > > On Thu, Nov 29, 2012 at 6:04 PM, Christoph Junghans <[email protected]> > wrote: >> >> 2012/11/29 Anu Nagarajan <[email protected]>: >> > Hi Christoph and Sebastian, >> > >> > I am trying to do TF iterations with xsplit but I keep getting this >> > error - >> > >> > do_external: subscript >> > /home/anu/votca_1.2.3/share/votca/scripts/inverse/density_symmetrize.py >> > --infile SWA.dist.tgt --outfile SWA.sym.dens --adress >> > c $1 (from tags density symmetrize) failed # >> Sebastian, fixed that bug a while ago: >> >> http://code.google.com/p/votca/source/detail?r=30e0e004fde578207569fe772b44c6d4dd861408&name=default&repo=csg >> >> You can either incorporate that change yourself or use the development >> version of votca (using --dev option of build.sh). >> >> Cheers, >> >> Christoph >> >> > >> > I set the adress type to be xsplit. Is there anything else I should do? >> > >> > Thanks for your help! >> > >> > Anu >> > >> > -- >> > You received this message because you are subscribed to the Google >> > Groups >> > "votca" group. >> > To post to this group, send email to [email protected]. >> > To unsubscribe from this group, send email to >> > [email protected]. >> > For more options, visit this group at >> > http://groups.google.com/group/votca?hl=en. >> >> >> >> -- >> Christoph Junghans >> Web: http://www.compphys.de >> >> -- >> You received this message because you are subscribed to the Google Groups >> "votca" group. >> To post to this group, send email to [email protected]. >> To unsubscribe from this group, send email to >> [email protected]. >> For more options, visit this group at >> http://groups.google.com/group/votca?hl=en. >> > > -- > You received this message because you are subscribed to the Google Groups > "votca" group. > To post to this group, send email to [email protected]. > To unsubscribe from this group, send email to > [email protected]. > For more options, visit this group at > http://groups.google.com/group/votca?hl=en. -- Christoph Junghans Web: http://www.compphys.de -- You received this message because you are subscribed to the Google Groups "votca" group. To post to this group, send email to [email protected]. To unsubscribe from this group, send email to [email protected]. For more options, visit this group at http://groups.google.com/group/votca?hl=en.
