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

[Anson Thomas]

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 > 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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