[Pw_forum] QE-GPU 14.10.0 with intel compliers

[Dr. NG Siu Pang]

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




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