Dear WIEN2K users, We are now a new user of running WIEN2K package and are struggling with how to use w2web interface to make k points and mpi parallel running on the super computer not locally. Our super computer is based on SGE and job queue system.
So first of all is it possible to make parallel running through w2web interface directly? Secondly, I checked the description on the user guide for this part, it said we need to make some execution type on the configuration tab. could any experienced user give us some hints about this point or even an example and description of how to use this execution type? And if I use w2web interface to direct do parallel running, do I need to create and edit a so called .machine file in the working folder? Look forward to your reply and Best regards, -- Minghao, Zhang, Graduate Student. Department of NanoEngineering University of California, San Diego SME Building, room 242C 9500 Gilman Drive La Jolla, CA 92093 Cell: 858-956-9058 e-mail: [email protected] <[email protected]> Group website: http://ne.ucsd.edu/smeng/
_______________________________________________ Wien mailing list [email protected] http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/[email protected]/index.html
