[AMBER] memory issue- CPHF- gamess calculation

From: kamlesh sahu <kamleshsemail.gmail.com>
Date: Fri, 15 Oct 2010 10:24:35 +0900

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).

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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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Received on Thu Oct 14 2010 - 18:30:02 PDT
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