[Wien] Problems when running in a cluster

[Daniel Fernández Hevia]

Dear all,

First, sincere thanks for your help. As Prof. Blaha suggested, when running 
"lapw0 lapw0.def", the calculation stops immediately with a message 
"segmentation fault". Also, in response to the question if I run any other 
WIEN2k calculation, the answer is yes: for example, I have calculated band 
structure an force minimization for AlN in wurtzite phase (4 atoms per unit 
cell) that compare really very well with published results, so I am pretty 
sure that the problem is specific for this calculation. I have checked the 
values of my system, and they are as seen below. Swap space is much more 
than I have in my laptop, where the calculations run slowly, but they run. 
The lapw0 program is slightly bigger in the cluster than in my laptop, but 
I think that is not a serious problem.

Most probably there was something wrong during compilation but, as I am by 
no means an expert, any suggestion about what to do would be very much 
welcome!!!

Thank you so much for your help and best wishes.

Daniel
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Daniel Fernández Hevia
School of Physics
The University of Sydney
Sydney 2006, Australia
Phone: +61 2 9036 5301
email: 
<https://correo.etsit.upm.es/twig//twig/index.php3?&s[mailbox]=mail%2FEnviados1&s[mainGroup]=%2A&s[mailtree]=0%7C&s[mailGroup]=%2A&s[sortby]=date&s[sortbyway]=1&s[delete-return]=msgview&c[f]=mail&c[a]=compose&form[to]=dhevia@physics.usyd.edu.au>dhevia at physics.usyd.edu.au
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size lapw0
    text    data     bss     dec     hex filename
1319767  104492 5175800 6600059  64b57b lapw0

dhevia at barossa wien]$ free
              total       used       free     shared    buffers     cached
Mem:       3874188    3848408      25780          0      68268    2940532
-/+ buffers/cache:     839608    3034580
Swap:      2096472     179832    1916640

[dhevia at barossa wien]$ ulimit -a
core file size        (blocks, -c) 0
data seg size         (kbytes, -d) unlimited
file size             (blocks, -f) unlimited
max locked memory     (kbytes, -l) unlimited
max memory size       (kbytes, -m) unlimited
open files                    (-n) 1024
pipe size          (512 bytes, -p) 8
stack size            (kbytes, -s) unlimited
cpu time             (seconds, -t) unlimited
max user processes            (-u) 7168
virtual memory        (kbytes, -v) unlimited

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