[Pw_forum] Pw_forum Digest, Vol 27, Issue 74

[Lorenzo Paulatto]

In data 23 settembre 2009 alle ore 14:12:53, wangqj1 <wangqj1 at 126.com> ha  
scritto:
>> /home/wang/bin/pw.x -npool 8 -in ZnO.pw.inp>ZnO.pw.out
> It only print the output heander and not have iteration .

Maybe it's not reading the input at all! You should specify the full path  
to you input file, e.g.
   mpirun ... bin/pw.x -in /where/is/is/ZnO.pw.inp
just to be sure.

> I am not the supperuser,I don't know how to Set the environment variable  
> OPEN_MP_THREADS to 1,I can't find where is OPEN_MP_THREADS ?

You don't need to be super-user (nor supper-user ;-) to set an environment  
variable, you only have to add
  export OMP_NUM_THREADS=1
in your PBS script, before calling mpirun. To be sure it's propagated to  
all the processors add the option
  -x OMP_NUM_THREAD
to mpirun arguments (BEFORE pw.x).

cheers

P.S. when answering to a daily digest, please remove the irrelevant parts,  
and set the discussion title to whatever it was before; this make it  
easier for other people to follow the discussion!

-- 
Lorenzo Paulatto
SISSA  &  DEMOCRITOS (Trieste)
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