[Wien] question about executables

[Jorissen Kevin]

I don't think wien imposes its own file size limits.
Maybe a trick (to keep working until you understand the problem) is the following :
use a parallel calculation (even when you're just running on one machine - then specify only the name of this machine in the machines file), but increase the granularity parameter.  This will distribute your data over more files, so you'll have smaller files.
Just use a file .machines :
1:localhost
granularity:3     (or even more, if necessary)
 
and run_lapw -p.
 
good luck,
 
Kevin.
 

	-----Oorspronkelijk bericht----- 
	Van: koitzsch [mailto:Christian.Koitzsch at gmx.ch] 
	Verzonden: vr 1/30/2004 6:52 
	Aan: wien at zeus.theochem.tuwien.ac.at 
	CC: 
	Onderwerp: [Wien] question about executables
	
	

	Hi Everybody,
	
	I run Wien2k on Linux box with Mandrake 9. So far I have used the
	executables already provided without going through the compilation of
	Wien2k. Now I noticed that I have a filesize limit for my vector files of 2
	GB (which bothers me for large k-grids), which is no problem specific to the
	partition since I can create other files which are larger than two GB. Now
	my question, is this related to the way Wien is precompiled? (and do I have
	to go through the compilation in order not to have this?)
	
	Thanks a lot
	
	Christian Koitzsch
	
	
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