[Hpc-forum] to subg09 (Gaussian09) users

[Ferenc Bartha]

Dear G09 users,



Because of the recently introduced h_vmem and h_rt and changes in the 
scheduling policy it became reasonable to change the subg09 script in order 
to make submission easy and flexible but provide a control on these SGE 
complexes with script arguments.



My test jobs were running fine; however, I see (several, possible larger 
jobs which terminated with (100,137) SGE error codes "without a reason". I 
see that there were broken jobs possibly because of this error, although 
users were not complaining, please do it next time!



I guess, what the reason is, your job went over the memory limit.

Two solutions:

a)      use something like -r 5000 for large systems (version 4.0),

b)      wait, until (very soon) I change the memory allocation policy 
(version 5.0).



I shall provide a new script (version 3.0 was the golden old one, 4.0 is the 
problematic present evaluation version, the new will be 5.0). I shall let 
you know on this forum if released, also how's-and-why's.



Have you any comments, please, let me know if I should change or build in 
things. In fact the new script is ready, just want to subject it to a short 
testing (say 1-2 days); do not wait with writing an e-mail to me, if you 
would like your ideas to be taken into account in this release!



ÜdvFeri
------------:
Dr. Ferenc BARTHA, tel: 62/54-6821, E-mail: barthaf at sol.cc.u-szeged.hu
SKYPE: ferenc.bartha, WWW: http://www.staff.u-szeged.hu/~barthaf/
SZTE DNT - High Performance Computing Group, 6725 Szeged, Szikra u. 2.
SZTE, Department of Medical Chemistry, 6720 Szeged, Dóm tér 8.