On Tue, May 1, 2018 at 1:04 AM, Alexander Alexander <[email protected]> wrote: > > Dear all, > > My IBI (bonded-nonbonded) calculation crashes in step_017 with the below > error; > add_POT.pl bond-LA-LB.pot.cur bond-LA-LB.dpot.new bond-LA-LB.pot.new # > # (from tags table add) failed > > Would you please let me know what could be the reason? Before that > everything is going fine with improvement, > Please find attached the inverse.log file. If you look up five line above the error message in inverse.log it says: Running subscript 'add_POT.pl bond-LA-LB.pot.cur bond-LA-LB.dpot.new bond-LA-LB.pot.new' (from tags table add) dir /mnt/HA/opt/votca/intel/2015/master/share/votca/scripts/inverse Different grids
I am not 100% sure why this is, but most likely you changed the grid (min, max or step) within a simulation. Christoph > > Thank you. > Regards, > Alex > > -- > You received this message because you are subscribed to the Google Groups > "votca" group. > To unsubscribe from this group and stop receiving emails from it, send an > email to [email protected]. > To post to this group, send email to [email protected]. > Visit this group at https://groups.google.com/group/votca. > For more options, visit https://groups.google.com/d/optout. -- Christoph Junghans Web: http://www.compphys.de -- You received this message because you are subscribed to the Google Groups "votca" group. To unsubscribe from this group and stop receiving emails from it, send an email to [email protected]. To post to this group, send email to [email protected]. Visit this group at https://groups.google.com/group/votca. For more options, visit https://groups.google.com/d/optout.
