[Wien] error in lapw1

Swetarekha Ram swetarekharam at gmail.com
Fri Mar 16 08:57:52 CET 2012


Dear Prof.  Peter Blaha and Wien2k Users,

        I was trying to compile  WIEN2k_11 version in HPC redhat-5.6
with intel fortran compiler (composer_xe_2011_sp1.6.233) and with open
mpi-1.4.3 version. I could able to compile with out any error. Now I
am submitting trial  job through the script. For the two atom systems
it is running fine (Example TiC ), but when I am running more than two
atom system I am getting error in lapw1.


Here is my dayfile


>   lapw1  -p   (11:07:49) starting parallel lapw1 at Fri Mar 16 11:07:49 IST 2012
->  starting parallel LAPW1 jobs at Fri Mar 16 11:07:49 IST 2012
running LAPW1 in parallel mode (using .machines)
2 number_of_parallel_jobs
     cn009(5) 0.126u 0.014s 0:00.70 18.5%       0+0k 0+0io 5pf+0w
     cn009(5) 0.130u 0.011s 0:00.30 46.6%       0+0k 0+0io 0pf+0w
**  LAPW1 crashed!
0.286u 0.133s 0:07.64 5.3%      0+0k 0+0io 6pf+0w
error: command   /home/lapw1para lapw1.def   failed

>   stop error

Can any one help me to rectify this error.
-- 
Swetarekha Ram,


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