[Pw_forum] neb input using runjob

[Masoud Nahali]

On Thu, Apr 25, 2013 at 12:00 PM, Alberto wrote:

>
>
> I've had problems letting neb.x read the input. I need to use load leveler
> and runjob. The command in the script I used looks like this:
>
> runjob --np 16 --ranks-per-node 8 --envs OMP_NUM_THREADS=4 --exe neb.x
> -inp input_neb.in >> out_scf
>
> The neb.x program is unable to find any input, and gives me the following
> error:
>
>
>  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>      Error in routine string_methods (1):
>      Neither a file to parse nor input files for each image found
>
>  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>
> Anyone knows how to let the program read the input?
> Thank you,
> Alberto
>
>
>
 Dear Alberto

  A simple script like the following line always function on Linux machines:

  mpirun -np 16 /PATH/To/QE/neb.x -inp A.in > A.out

 try this simple on or do it once with one CPU to check out your neb.x
binary file.
 I hope it helps.




Best Wishes, m





----------------------------------------
Masoud Nahali
SUT
masoud.nahali at gmail.com
alum.sharif.edu/~m_nahali
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