Dear Filippo, I have the intel compliers installed on my server, with QE-5.2.0 I am able to configure and make without issues.
I used ./configure CC=icc F90=ifort F77=ifort MPIF90=mpiifort ./PW/tests/check-pw.x.j runs all okay I have copied GPU to the espresso-5.2.0 folder and I noticed that for parallel configuration, I need to do $ cd GPU $ ./configure --enable-parallel --enable-openmp --with-scalapack \ --enable-cuda --with-gpu-arch=sm_35 \ --with-cuda-dir=<full-path-where-CUDA-is-installed> \ --without-magma --with-phigemm $ cd .. $ make -f Makefile.gpu pw-gpu These looks like using non-intel compliers, so can I use the following intead? $ cd GPU $ ./configure CC=icc F90=ifort F77=ifort MPIF90=mpiifort \ --enable-parallel --enable-openmp --with-scalapack \ --enable-cuda --with-gpu-arch=sm_35 \ --with-cuda-dir=<full-path-where-CUDA-is-installed> \ --without-magma --with-phigemm Thank you, Rolly PhD, Research Fellow, Department of Physics and Materials Science, City University of Hong Kong Tel: +852 3442 4000 Fax:+852 3442 0538 Disclaimer: This email (including any attachments) is for the use of the intended recipient only and may contain confidential information and/or copyright material. If you are not the intended recipient, please notify the sender immediately and delete this email and all copies from your system. Any unauthorized use, disclosure, reproduction, copying, distribution, or other form of unauthorized dissemination of the contents is expressly prohibited.
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