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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