On Wed, Sep 2, 2020 at 10:53 AM Clement Koh <[email protected]> wrote: > > Hi, > > I tried it on one thread (--nt 1) and it gave me the same error. Can you open an issue on GitHub: https://github.com/votca/csg/issues/new
Christoph > > On Wednesday, September 2, 2020 at 8:44:03 AM UTC-4 Christoph Junghans wrote: >> >> >> >> 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. > > -- > 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/39d37a3e-e9a6-4a18-9fe4-0bfc4a8eb350n%40googlegroups.com. -- Christoph Junghans Web: http://www.compphys.de -- 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/CAHG27e7LSapxzV3pcyS6h385YqMzz-D79Lh4FXUgbi3KZKm%2B%3DA%40mail.gmail.com.
