HI Andrey, good that you found it. Can you send me a minimal test case or a patch to make one of the tutorials crash? And I will look into it and harden the xml parser.
Cheers, Christoph 2016-04-22 12:34 GMT-06:00 'Andrey Brukhno' via votca <[email protected]>: > Hi again, > > Sorry, it was my bad input... hard to spot. > The error was caused by a missing bead name in one of the <dihedral> > subsections in the mapping file > (so there were only three instead of four beads specified). > > At least, we know now that this sort of omission in the mapping xml-file > results in such a spurious error, > when trying to use ANY of the VOTCA tools (csg_map, csg_*topol, csg_stat > etc). > > Cheers / Andrey > > > On Friday, April 22, 2016 at 5:19:57 PM UTC+1, Andrey Brukhno wrote: >> >> Hi Christoph (or other VOTCA developers), >> >> I tired to ask my question on the forum : >> https://groups.google.com/forum/#!forum/votca >> >> But after pressing the "Post" button my message failed to appear amongst >> the topics. >> I have to retype it now because the text has been lost. >> >> Well, I have been using VOTCA for a a few years now, >> with both Gromcas and DL_POLY. Have it installed both locally >> and on a couple of Beowulf clusters. Everything worked fine until >> recently. >> >> I have reinstalled/updated VOTCA on my desktop following the instructions: >> >> http://www.votca.org/tutorials/coarse-graining >> >> (had to switch off the GMX option, not to reinstall Gromacs) >> >> Now, csg_stat gives me an error: >> >> csg_stat --top .dlpf --trj .dlph --options cg-int-map11.xml --cg >> cg-map11.xml >> begin to calculate distribution functions >> # of bonded interactions: 6 >> # of non-bonded interactions: 5 >> I have 10 beads in 2 molecules >> *** Error in `csg_stat': double free or corruption (out): >> 0x00007ffc6f9555f0 *** >> Aborted (core dumped) >> >> The problem is I get the same error with the older installations too. >> >> Would appreciate any clues. Thanks! >> >> Andrey >> >> --- >> Dr Andrey V Brukhno, <Andrey.Brukhno_at_stfc.ac.uk> >> Computational Scientist, CCP5 project developer, >> Computational Chemistry, SCD/STFC, Daresbury >> http://people.scd.rl.ac.uk/Computational%20Chemistry/Brukhno/ >> --- >> Cheshire Cat is my friend as I live in Wonderland. >> > -- > 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.
