[QE-users] [QE-GPU] How to "Fill the CPU with OpenMP threads" to run QE-GPU

[Pietro Bonfa']

Does this work?

export OMP_NUM_THREADS=1
mpirun -np 1 pw.x -inp input.in


Best,
Pietro

On 10/8/21 18:08, Anson Thomas wrote:
> Thanks for the suggestion.
> I exported OMP_NUM_THREADS= 1 to my bashrc (I am not using a script to
> run QE; doing it directly using mpirun pw.x -inp input.in
> <http://input.in/
>  > output). However, it is still giving the same error
>
>   from  addusdens_gpu  : error #         1
>        cannot allocate aux2_d
>
> I even tried experimenting with  OMP_NUM_THREADS= 2,3 .. but all in vain.
> Also, I have noted that always  MPI processes is distributed on  1 node
> only regardless of the number of threads or processors (using mpirun -np
> ) provided.
>
> Do you have any other suggestions?
>
>
> Regards,
> Anson
>
>
>
>
>
>
> --
> Sent by *ANSON THOMAS*
> *M.Sc. Chemistry, IIT Roorkee, India*


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