Hello,
Did any one meet this kind of problem? We compiled vasp in our dual-core, four processors AMD computer in both parallel and serial version. The code works very well for small systems, like 2 or 8 atoms. However, when I go to supercell system, like 54, 64 atoms, or more, the vasp cause computer freeze at the random time without any error message.
First, we suspect it's hardware problem. But after check, we have not found any hardware problem. We also test our computer using other code, like espresso, to big system. The espresso works fine.
We use intel compiler and MKL lib.
Thanks very much for any hint.
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VASP cause computer freeze
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LM
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VASP cause computer freeze
Last edited by LM on Mon Apr 06, 2009 2:41 am, edited 1 time in total.
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admin
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VASP cause computer freeze
your computer simply runs out of memory. please use more parallel nodes
Last edited by admin on Mon Apr 06, 2009 3:11 pm, edited 1 time in total.