Frequently Asked Questions

Installation

• Q: When do I need install QEpy?

  A: QEpy is highly recommended to install, especially when you want to run KS-DFT embedding calculations.

Running

• Q: Error “OpenBLAS blas_thread_init: pthread_create failed for thread 49 of 52: Resource temporarily unavailable”

  A: Try:

  export OMP_NUM_THREADS=1
  export USE_SIMPLE_THREADED_LEVEL3=1