[Molpro-user] Memory usage in Molpro

Attila Bende attlbende at gmail.com
Mon Sep 22 09:27:51 BST 2008

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
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

National Institute of R&D of Isotopic and Molecular Technology
Str. Donath nr.71-103, C.P.700
Cluj-Napoca, R-400293, Romania
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

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