On Tue, May 17, 2022 at 4:51 AM Kim <[email protected]> wrote: > > Hi, > > Following the previous question, > > Is VOTCA only available on INTERACTIVE SHELL? I wonder if I can use PBS JOB. > If you can use PBS JOB, I would appreciate it if you could tell me how to > write the batch file. > Sorry I overlooked this message.
But you can run "source VOTCARC.bash" as part of your PBS script as well. And then run other votca command afterwards. Christoph > If I submit it, I keep getting an error saying that VOTCA can't access the > state file. > > 'an error occurred: > could not access file state.hdf5 with permission to read' > > Thanks, > Kim > > -- > 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/3bfae0e3-4408-4de0-b731-92bf0e1849f3n%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/CAHG27e64Tuv264Z90k-J9sLiGn0rtzme2KYELmD_f3kM4rMxmw%40mail.gmail.com.
