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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