I want to run QE on a single computer with these specs:

  • AMD Ryzen 9 7950X 16-Core Processor
  • 64 GB RAM
  • NVIDIA GeForce RTX 3050 8 GB

I have QE compiled with QE_ENABLE_CUDA=ON and QE_ENABLE_OPENACC=ON.

The GPU is working, but CPU uses a single thread even if I try to set OMP_NUM_THREADS=8.

Is it possible to make QE fill both the GPU to 100% use and the CPU to use 8 threads? If so... how can I do it? What I am missing?

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