Fixed: <https://github.com/votca/csg/commit/f7b149b5dd6106b7f1ee81a3b0878c0c5558359f>
2016-04-22 17:26 GMT-07:00 Christoph Junghans <[email protected]>: > 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 -- 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.
