[GE users] parallel jobs submission help

Wheeler, Dr M.D. mdw10 at leicester.ac.uk
Thu Nov 25 16:59:22 GMT 2004


    [ The following text is in the "iso-8859-1" character set. ]
    [ Your display is set for the "ISO-8859-10" character set.  ]
    [ Some special characters may be displayed incorrectly. ]

Dear All,

Sorry if this seems a simple/naive request.

I have SGE installed on my rocks cluster.  I ahve also installed some computational chemistry software called molpro.  If I want to run this program interactively on 2 CPU i would simply issue the command

molpro -n2 file.com

where file.com is my input file, after doing this and looking at top I see the line

 PID USER     PRI  NI  SIZE  RSS SHARE STAT %CPU %MEM   TIME CPU COMMAND
3943 root      25   0 49540  48M  5604 R    199.9  0.8   0:09   0 molprop_2002

indicating that the process is running on 2 CPU.

I now want to emulate this using SGE so that I can launch jobs from my frontend node to the various compute nodes.

I have a script:

$ cat molpro.sh
#!/bin/bash
#
#$ -cwd
#$ -j y
#$ -S /bin/bash

molpro -n2 test.com

which when I run it only seems to use up one CPU on the compute node.

I'm thinking that I have to tell SGE that I want to request 2 CPUs for the job, but I can't see how this is done.

Can anyone give me any pointers??


Thanks in advance,
Martyn


----------------------------------------------
Dr. Martyn D. Wheeler
Department of Chemistry
University of Leicester
University Road
Leicester, LE1 7RH, UK.
Tel (office): +44 (0)116 252 3985
Tel (lab):    +44 (0)116 252 2115
Fax:          +44 (0)116 252 3789
Email:        martyn.wheeler at le.ac.uk
http://www.le.ac.uk/chemistry/staff/mdw10.html
 

---------------------------------------------------------------------
To unsubscribe, e-mail: users-unsubscribe at gridengine.sunsource.net
For additional commands, e-mail: users-help at gridengine.sunsource.net




More information about the gridengine-users mailing list