Your job script below seems to missing scripting to create a .machines
file on the fly. So parallel calculations won't work if a .machines
file is not created according the FAQ [1] and WIEN2k 18.2 usersguide [2].
However, without a .machines file, the '-p' should be ignored by runsp,
so it
Dear developers and users
I have a problem regarding the job script used to send the calculation to the
queuing system. I know that the formal job script for SRUM system is similar to
the one provided in the link here.
http://susi.theochem.tuwien.ac.at/reg_user/faq/pbs.html
However the job
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