Is VOTCA only available on INTERACTIVE SHELL? I wonder if I can use PBS JOB. If I can use PBS JOB, I would appreciate it if you could tell me how to write the batch file.
2022년 5월 17일 화요일 오후 5시 4분 46초 UTC+9에 Kim님이 작성: > Hello, > > when i try to run the command xtp_map in my interactive shell, it runs > well. > > but when I tried to run it through PBS job, > > an error occurred: > could not access file state.hdf5 with permission to read > > I think PBS does not inherit the setting of interactive shell, but I have > no idea how to solve it. > > before the call of xtp_map I just add 'source /path_to_bin/VOTCARC.bash' > > If there is any idea of how to solve it, please help me. > > 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/4a37bbab-83a5-47ec-8f6c-45c7f9e79c32n%40googlegroups.com.
