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Re: mp2 calculation and memory problem.

Alex Granovsky


you are using GAMESS, not Firefly. This forum is for Firefly.
Sorry we are not specialists in GAMESS-related problems.
Please address your GAMESS-related questions to GAMESS Google Group,
there are more chances your questions will be answered there.

Kind regards,
Alex Granovsky

On Fri Sep 28 '12 11:21am, samback wrote
>�1 �$contrl scftyp=rhf mplevl=2 runtyp=gradient coord=unique �$end
> �2 �$system parall=.true. mwords=100000  memddi=8000 �$end
> �3 �$elpot output=punch $end
> �4 �$guess guess=huckel $end
> �5 �$data
> �6 2-dimer CASPT2/6-311g+(3df) for top2 layer si (from 6-311g++(3df,2p)), 6-31g(d) for others (www.emsl) symmetric
> �7 Cnv 2
> �8

>Hi, I am doing mp2 calculation and have a problem.

>My computing system has 24GB RAM.

>However I increase the memory(mwords and memddi), it says memory is insufficient.

>Below is the last part of the log file.

>Thank you in advance.

>251  DDI Process 0: error code 911
>252  DDI Process 0: shmget returned an error.
>253  Error ENOMEM: Not enough memory to allocate 64160000000 bytes of shared memory.
>254  ddikick.x: application process 0 quit unexpectedly.
>255  ddikick.x: Fatal error detected.
>256  The error is most likely to be in the application, so check for
>257  input errors, disk space, memory needs, application bugs, etc.
>258  ddikick.x will now clean up all processes, and exit...
>259  ddikick.x: Sending kill signal to DDI processes.
>260  ddikick.x: Execution terminated due to error(s).
>261 unset echo

[ This message was edited on Sun Sep 30 '12 at 5:33pm by the author ]

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