[Wien] parallel under sge environment

2010-04-21 Thread Peter Blaha
Still the analysis is not complete: In your job you requested 4 slots. In your job.error I can see 3 attempts to connect to remote hosts (r105-n15,r108-n84 and r103-n2), but not 4. Furthermore I see 2 times: lapw0 END ??? how does the corresponding .machines file look ? When you request 4-8

[Wien] parallel under sge environment

2010-04-20 Thread archieve mail
Dear prof. Marks, Thanks very much for your reply. I will try to compile the mpi version lapw0/1/2. regards, yonghong 2010/4/20 Laurence Marks L-marks at northwestern.edu If you are using mpi you probably do not need this -- talk to your sysadmin. If you have no rsh or ssh available to the

[Wien] parallel under sge environment

2010-04-20 Thread Peter Blaha
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

[Wien] parallel under sge environment

2010-04-20 Thread Laurence Marks
Several comments: 1) Your sysadmin is expecting you to run single mpi jobs, rather than the Wien2k method of splitting up k-points to run on different machines. So long as you are setting up a machines file correctly, using mpi and are using 9.3 I think you can set MPI_REMOTE=0 and USE_REMOTE=0

[Wien] parallel under sge environment

2010-04-20 Thread Ghosh SUDDHASATTWA
. Suddhasattwa Ghosh -Original Message- From: wien-boun...@zeus.theochem.tuwien.ac.at [mailto:wien-bounces at zeus.theochem.tuwien.ac.at] On Behalf Of Laurence Marks Sent: Tuesday, April 20, 2010 6:03 PM To: A Mailing list for WIEN2k users Subject: Re: [Wien] parallel under sge

[Wien] parallel under sge environment

2010-04-20 Thread Peter Blaha
Still not clear: I cannot use ssh means that this supercomputer doesn't allow users to log in to the compute node directly. I have consulted the admin already. He just ask me to use sge script to submit job. The attachment is the It is normal that you cannot ssh to the compute node FROM the

[Wien] parallel under sge environment

2010-04-20 Thread zhaoyh
Hello Prof. Blaha and Marks, The submitting script and the error message have been attached. The host and hosts pe are not usable right now. The only one I can use is mpi. Thanks for your help. Regards, yonghong On Tue, 2010-04-20 at 16:33 +0200, Peter Blaha wrote: Still not clear: I

[Wien] parallel under sge environment

2010-04-20 Thread Oleg Rubel
I have a few suggestions (hopefully constructive) based on my experience. Before you run Wien2k over MPI: 1) make sure that you can run mpirun/mpiexec histname from SGE script. This should give a list of all allocated hosts. If the result makes sense, 2) explain your mpirun/mpiexec command

[Wien] parallel under sge environment

2010-04-19 Thread 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

[Wien] parallel under sge environment

2010-04-19 Thread Laurence Marks
If you are using mpi you probably do not need this -- talk to your sysadmin. If you have no rsh or ssh available to the computer nodes I am not sure that anyone can help you -- again, talk to your sysadmin. On Mon, Apr 19, 2010 at 2:39 PM, zhaoyh yhzhao.mail at gmail.com wrote: Dear Blaha, I

[Wien] parallel under sge environment

2010-04-16 Thread 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