Dear Wien2k users, I am running Wien2k and all parallel libraries MPI, Scalapack, PBlas and FFTW have been included during the compilation of Wien2k. Our queuing system is SGE.
There are scripts available in the FAQ which is suited for SGE queuing system. I would like to know as to how we can invoke parallel jobs from the w2web. After the SCF is initialized, do we have to click the parallel option in the w2web and then run the SCF cycle? But how does Wien2k know we are running through SGE queuing system? Suddhasattwa Ghosh -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20100121/a64cad97/attachment-0001.htm>