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 "$@" ############################################################################################################################################################################################################################################################################################################################################################# # # # 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 # # 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.
