[Molpro-user] Memory usage in Molpro

[Attila Bende]

Dear Molpro Users!

I have some SMP workstations (one Opteron system with 2xdual-core
processors, and another Intel Xeon system with 2xquad-core
processors). Both of them has 16 GB RAM.
If I set the size of memory in molpro input more that 400 MW, the
program running takes all the available memory (16GB) and also more
that 10 GB from the swap partition. In this way the job become quite
slow.
If I set less than 400 MW, the program running quite well (but no
fast) but if the molecular system is large enough the df-lmp2 job
failed because of the lack of memory.
Can somebody gives me some good advices in how use the memory efficiently.

Many thanks

-- 
Dr. Bende Attila (PhD)
Senior Researcher III

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National Institute of R&D of Isotopic and Molecular Technology
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Phone:+40-264-584037, ext. 216, Fax: +40-264-420042
e-mail: bende at itim-cj.ro, attlbende at yahoo.co.uk
Web: http://w3.itim-cj.ro/~bende/index.html
 http://www.researcherid.com/rid/A-6539-2008
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