Dear all, Thanks to the discussions with Pietro, I could successfully install QE on a supermicro x10, xeon E5-2650, NVIDIA GTX 1080 ti system (CentOS 7.7) with following steps:
1) download the graphic card driver from NVIDIA website (version 430 for me) and install it. 2) type "nvidia-smi" and " pgaccelinfo " in terminal to check if the driver is installed correctly. 3) install PGI compiler with all of its components. (for me, the 19.4 version is installed) 4) install CUDA (PGI has cuda itself, but I downloaded CUDA 10.1 from NVIDIA website and installed it separately because it did not respond, and I do not know the reason). 5) download the GPU-enable of QE code (for me, q-e-gpu-qe-gpu-6.4.1a1.tar.gz). 6) run ./configure ,for me: ./install/configure FC=pgf90 --with-cuda=/usr/local/cuda-10.1 --with-cuda-runtime=10.1 --with-cuda-cc=60 --enable-openmp --with-scalapack=no p.s.: set "--with-cuda-cc= " from the output of pgaccelinfo. 7) make ... Mohammad Moaddeli Shiraz University
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