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Re: [abinit-forum] Problem with KSS files


Chronological Thread 
  • From: Matthieu Verstraete <mjv500@york.ac.uk>
  • To: forum@abinit.org
  • Subject: Re: [abinit-forum] Problem with KSS files
  • Date: Tue, 4 Sep 2007 16:45:22 +0100 (BST)


Hello Juanma,

Your cell has 92 atoms! I'll bet the KSS writing part is an "all in memory" code, and you're exploding your RAM. The estimation for the memory needed for abinit to run may also not take the kss writing step into account. PMA's suggestions are the best: compile+run with debugging, and compile option -C to see if memory is being overrun

Perhaps someone from the GW team can confirm if mkmem 0 works in the kss writing step. In that case, you can set it and the code should page the wfct to disk during the writing of the kss. Still, GW on top of that will be biblical.


Matthieu

--
================================================================
Dr. Matthieu Verstraete mailto:mjv500@york.ac.uk
Dept. of Physics, University of York, tel: +44 1904 43 22 08
Heslington, YO10 5DD York, United Kingdom fax: +44 1904 43 22 14



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