On Tue, Sep 1, 2020, 22:18 Clement Koh <[email protected]> wrote: > If I just run the csg_stat on its own I get the following error: > > begin to calculate distribution functions > # of bonded interactions: 0 > # of non-bonded interactions: 1 > an error occurred: > input format not supported: spce.data > The data reader is built-in and cannot be disabled, so this is a bit strange.
Can you run it on one thread (--nt 1)? Christoph > > On Wednesday, September 2, 2020 at 12:17:01 AM UTC-4 Clement Koh wrote: > >> Hi, >> >> I ran the ibi_lammps tutorial and this error occurred and I'm not sure >> what is causing it. Can someone help please? >> >> For a more verbose log see: inverse.log >> We are doing Method: ibi >> Prepare (dir step_000) >> Using initial guess from dist CG-CG.dist.tgt for CG-CG >> ###################################################### >> # WARNING using this simulator is still experimental # >> # If you find a problem report it under: # >> # https://github.com/votca/csg # >> ###################################################### >> step 0 done >> Doing iteration 1 (dir step_001) >> Simulation with lammps >> Make update for ibi >> Calculating rdfs with csg_stat using 12 tasks >> >> ################################################################################################################################################################ >> # >> >> # >> # ERROR: >> >> # >> # critical: 'csg_stat --nt 12 --options >> /home/cfk2120/Desktop/lammps/ibi_lammps/settings.xml --top spce.data --trj >> traj.dump --begin 0 --first-frame 0' failed # >> # For details see the logfile >> /home/cfk2120/Desktop/lammps/ibi_lammps/inverse.log >> # >> # >> >> # >> >> ################################################################################################################################################################ >> >> I can provide the verbose log from inverse.log if necessary! >> >> Best, >> Clement >> > -- > Join us on Slack: https://join.slack.com/t/votca/signup > --- > 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 view this discussion on the web visit > https://groups.google.com/d/msgid/votca/5a70f328-dd87-45a3-b195-08575cbe619an%40googlegroups.com > <https://groups.google.com/d/msgid/votca/5a70f328-dd87-45a3-b195-08575cbe619an%40googlegroups.com?utm_medium=email&utm_source=footer> > . > -- Join us on Slack: https://join.slack.com/t/votca/signup --- 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 view this discussion on the web visit https://groups.google.com/d/msgid/votca/CAHG27e6VA_XAkP3WSPgmEgUH3O3VSj3_ryZHiyajtKQ9HNXstQ%40mail.gmail.com.
