Hi, I tried it on one thread (--nt 1) and it gave me the same error.
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 >> >> <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/39d37a3e-e9a6-4a18-9fe4-0bfc4a8eb350n%40googlegroups.com.
