[CPMD-list] memory errors when using large cutoffs

[Axel Kohlmeyer]

>>> "mk" == mkosmows  <mkosmows at mailbox.syr.edu> writes:

mk> Dear CPMD community:

hello mark!
  
mk> I am running cpmd 3.5.1 on an Athlon PC with 512Mb RAM and  
mk> 1024 Mb swap using Suse 8.0.  I am currently studying urea.   
mk> After plotting bond distances against cutoff, I wanted to see  
mk> what higher cutoff values would give us.  At 800ry cutoff I  
mk> received the following error.  At the time of the error, I  

[stuff deleted]

mk>  PROGRAM STOPS IN SUBROUTINE MEMORY| ALLOCATION FAILED (EIGR)

  
mk> Will installing more RAM fix this issue, or does Linux not  
mk> like using more than 1Gb of memory in a single block?  I had  
mk> the same problem using RedHat 8.0.

that depends on the type of kernel you use. usually there is a
memory address limit of ~960MB per single process and 3GB
for all processes combined. but if you install an athlon-only or
'bigmem'-i686 kernel your system will (probably) be able to 
run larger jobs. to the best of my knowledge it should not matter,
whether you have that memory as physical memory or as swap.

regards,
        axel.
 
mk> Thank you,
 
mk> Mark Kosmowski

mk> Chemistry Department
mk> Syracuse University
mk> mkosmows at syr.edu

mk> _______________________________________________
mk> CPMD-list mailing list
mk> CPMD-list at cpmd.org
mk> http://www.cpmd.org/mailman/listinfo/cpmd-list



--

=======================================================================
Axel Kohlmeyer       e-mail: axel.kohlmeyer at theochem.ruhr-uni-bochum.de
Lehrstuhl fuer Theoretische Chemie          Phone: ++49 (0)234/32-26673
Ruhr-Universitaet Bochum - NC 03/53         Fax:   ++49 (0)234/32-14045
D-44780 Bochum                   http://www.theochem.ruhr-uni-bochum.de
=======================================================================
If you make something idiot-proof, the universe creates a better idiot.