Thank you Dr. Paul.
It is running now.
Best Regards,
kamlesh
On Fri, Oct 15, 2010 at 10:57 AM, Paul S. Nerenberg <psn.berkeley.edu>wrote:
> Hi Kamlesh,
>
> I think this type of issue is probably more appropriate to the q4md-
> fft mailing list, but provided you have enough memory on your machine,
> just increase the MWORDS parameter in either RED-vIII.4.pl directly or
> modify the GAMESS input script. By default it is set to "MWORDS=32",
> but depending on how many CPU cores you're using (and how much RAM you
> have), you can usually set it to "MWORDS=128" without any trouble. It
> looks like in your calculation that you're only using 1 core, in which
> case you can probably set it even higher...
>
> Best,
>
> Paul
>
>
> On Oct 14, 2010, at 6:24 PM, kamlesh sahu wrote:
>
> > Hello Amber-users,
> >
> > I am using R.E.D. software for the first time. After running for
> > about 3
> > minutes, it says (in JOB1-gam_m1-1.log) -
> >
> ------------------------------------------------------------------------------------------------------------------------------------
> >
> >
> >
> > THE CPHF HAS 23733 INDEPENDENT ORBITAL ROTATIONS.
> > SOLVING FOR 132 NUCLEAR RESPONSES AND 0 ELECTRIC FIELD RESPONSES
> > -FA- WILL USE 4307424 WORDS,
> > -TA- WILL USE 14195093 WORDS,
> > -FCK- WILL USE 23122629 WORDS,
> > -WXY- AND -YA- WILL USE 34701289 WORDS,
> > THERE ARE 31980109 WORDS OF REPLICATED MEMORY
> > AVAILABLE.
> > NOT ENOUGH MEMORY TO DO CPHF, NEED= 34701289 GOT= 31980109
> > EXECUTION OF GAMESS TERMINATED -ABNORMALLY- AT Fri Oct 15 11:59:55
> > 2010
> > 10058150 WORDS OF DYNAMIC MEMORY USED
> > CPU 0: STEP CPU TIME= 0.04 TOTAL CPU TIME= 204.2
> > ( 3.4 MIN)
> > TOTAL WALL CLOCK TIME= 207.8 SECONDS, CPU UTILIZATION IS 98.27%
> > ddikick.x: application process 0 quit unexpectedly.
> > ddikick.x: Sending kill signal to DDI processes.
> > ddikick.x: Execution terminated due to error(s).
> >
> >
> -----------------------------------------------------------------------------------------------------------------------
> > Is there some solution to this memory problem. Whaty changes do I
> > need to
> > make in Gamess input to succeed in this calc.
> >
> >
> > Thank you
> > Regards,
> > _______________________________________________
> > AMBER mailing list
> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
>
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
--
Kamlesh Kumar Sahu (post doc researcher)
Riken, wako, Saitama, JAPAN
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Oct 14 2010 - 20:00:02 PDT
