AW: [Wien] Segmentation fault in xcpot3, running lapw0 (ifc8.1,

Alessandro Mirone mirone at esrf.fr
Fri Jan 27 13:05:30 CET 2006


Hello all,
  thank you for all your messages, they have been very helpful.
Setting unlimit ( for tcsh, csh ) and ulimit -s unlimited for bash
cured the lapw1 problem but not lapw0 one.

The installation is now working correctly with a lapw0 compiled with g95,
the latest one that I found, and all the rest compiled as before with ifc8.X
( we dont have ifc9.x for opteron at the moment ).

Unlimited stack ( apart from hard limits that I dont know ( does it 
depend on kernel?) )
 is set everywhere in .tcshrc and .bashrc and .cshrc.

I am installing scalapack and I will check if with distributed processes,
and recompiling lapw0 with intel  the problem disappears even without
using g95 ( do you think that it might cure the stack problem? )

Now the supercell is being calculated   smoothly apart
charge sloshing probably because beryllium is a metal and my cell is big,
 am going trough the mailing list and a  publication of Kresse and 
furthmuller
to see if I understand how to cure it with the wien switches and parameters

So thank you very much and see you soon!

    Alessandro


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