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Re: how to increase memory in MP2 run

Alex Granovsky
gran@classic.chem.msu.su


Hi,

1. use $mp2 method=1 $end MP2 code. For more information, see  documentation on the MP2 energy and MP2 energy gradient code.

2. What's the exact reason you cannot use more than 100 MWords of memory? What is the error reported? Is Windows 32-bit or 64-bit? What is the MPI version you are using?

Regards,
Alex Granovsky


On Mon Feb 27 '12 5:20am, kaushik hatua wrote
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>i use windows server edition 2008 with only one partition C having around 250GB capacity and 20 GB RAM. MP2 run of a molecule at cc-pvtz basis set cant proceeded due to memory shortage of MP2 transformation. i can set memory upto MWORDS=100 but cant go beyond. Is there any way to increase the memory?


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