What does it mean: "I cannot use ssh". You need to describe your procedure and the error message in much more detail.
----------------------------------------------------------- It depends on your cases, if you want to use k-parallel or mpi-parallel versions. For small cases (less than 20-40 atoms) the mpi-version is completely useless!!! It may even run faster on one node than on 16. You have to follow the previous advise: Ask your computing center if ssh is possible and how one can do it. You may need to generate ssh-keys (ssh-keygen -t rsa) and copy the public key into "authorized_keys". if ssh is really not possible (I doubt that!), install WIEN2k with the option "shared memory" in siteconfig. Then you can at least use all 4-8 cores of one node (if your hardware has dual quadcore nodes) for k-parallel runs. Just to be sure: Most likely you cannot ssh from the fronend (where you login) to the compute nodes, so you need to put the run_lapw -p into your script. Maybe you need some additional switches in your job script to get a proper environment..... Am 19.04.2010 21:39, schrieb zhaoyh: > Dear Blaha, > > I want to use wien2k in a supercomputer which uses sge batch submission > system. I can use sge variable $PE_HOSTFILE to get the name of the > computing nodes, and then write the correct .machines file. However, I > cannot use ssh or rsh to log in the computing nodes then I cannot > execute run_lapw which include "rsh/ssh node...." command. > > Would you please help me? > > Regards, > > Yonghong Zhao > > > _______________________________________________ > Wien mailing list > Wien at zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien -- Peter Blaha Inst.Materialchemie, TU Wien Getreidemarkt 9 A-1060 Vienna Austria
