[Wien] error in lapw2

[Anurag Chaudhry]

Hello Everyone,

I am running a calculation for a 48 atom supercell of SrI2 with a single Eu embedded in the matrix.  The geometry is already a relaxed one.  I want to just see the density of states and bandstructure for these atomic positions.

However, I run into the following error at the lapw2 stage
----------
Calculating 1x1x2 in /Network/Servers/asgard.das.ucdavis.edu/Volumes/HD_USER/Home/anurag/WIEN2k/SrI2/1x1x2
on udgard.das.ucdavis.edu with PID 2097

    start       (Sat Jan 10 05:17:09 PST 2009) with lapw0 (40/99 to go)

    cycle 1     (Sat Jan 10 05:17:09 PST 2009)  (40/99 to go)

>   lapw0       (05:17:09) 499.539u 66.551s 9:53.75 95.3%       0+0k 0+8929io 212pf+0w
>   lapw1  -c -up       (05:27:03) 950.298u 14.258s 16:37.03 96.7%      0+0k 6+10045io 466pf+0w
>   lapw1  -c -dn       (05:43:40) 950.280u 15.651s 16:40.97 96.4%      0+0k 0+10044io 0pf+0w
>   lapw2 -c -up        (06:00:22) Segmentation fault
2.039u 12.594s 0:16.29 89.7%    0+0k 0+2174io 108pf+0w
error: command   /Network/Servers/asgard.das.ucdavis.edu/Volumes/HD_USER/Home/anurag/sw-local/WIEN2K_08/lapw2c uplapw2.def   failed

>   stop error
-------------

Any help in overcoming this issue is greatly appreciated.

I am have WIEN2K 8.3 compiled on a Mac OS X 10.5.6 machine with Intel Fortran compiler (10.0)

regards,
Anurag



      
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