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,
> _______________________________________________
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> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
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Received on Thu Oct 14 2010 - 19:00:05 PDT
