[Pw_forum] Problem using SGE

[Mahmoud Payami]

Dear QE users,

I am using sge for running a parallel job.
My "file.qsub" contains the following lines:
--
#!/bin/bash
#
#$ -cwd
#$ -j y
#$ -S /bin/bash
/opt/openmpi/bin/mpirun /opt/qe/bin/pw.x -npool 2 -ndiag 16 < /home/mahmoud/file.in
--
Then I use the orte parallel env and use the command:
qsub -V -pe orte 32 file.qsub 
Everything is ok until the first david diagonalization during which the load on some nodes increases the number of processors (that is, the node has totally 8 cores but the load shows at the crash time to be more than 16) , and then those nodes hangup.
Any comment is highly appreciated.

Best regards,
                      Mahmoud Payami

--------------------------------
Mahmoud Payami
Physics Group, AEOI, 
Tehran-Iran

Email: mpayami at aeoi.org.ir
Phone: +98 (0) 21 82064393
----------------------------------------------
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20120221/60732863/attachment.html>