Dear Sergey,

This is the output of the ulimit:
core file size          (blocks, -c) 0
data seg size           (kbytes, -d) unlimited
file size               (blocks, -f) unlimited
pending signals                 (-i) 1024
max locked memory       (kbytes, -l) 32
max memory size         (kbytes, -m) unlimited
open files                      (-n) 32768
pipe size            (512 bytes, -p) 8
POSIX message queues     (bytes, -q) 819200
stack size              (kbytes, -s) unlimited
cpu time               (seconds, -t) unlimited
max user processes              (-u) 40960
virtual memory          (kbytes, -v) unlimited
file locks                      (-x) unlimited

Any thoughts? It definitely is the ifort compiler problem. I hope somebody
already figured it out how to write the wavefunctions of big systems.

Thanks,

Cherry

--- Sergey Lisenkov <[EMAIL PROTECTED]> wrote:

> Cherry,
> 
> It is well known now that intel compiler uses a very small stack space. So,
> probably you might be running out of stack space. Check your settings with
> command: "ulimit". If you don't have an output of that command - 'unlimited',
> you'll have  to enlarge the stack space user limit. The default setting on
> many installations is too small. try setting it to the  maximum via either:
> ulimit -s unlimited (if you are using a bourne shell, e.g. bash) or: limit
> stacksize unlimited (if you are running in a c-shell, e.g. tcsh).
> 
> sergey
> 



 
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