[QE-users] Installing QE 670 on AMD EPYC

Chandan Kumar Choudhury ckchoud at g.clemson.edu
Thu Mar 11 14:44:18 CET 2021




> On Mar 11, 2021, at 6:24 PM, Paolo Giannozzi <p.giannozzi at gmail.com> wrote:
> 
> remove FoX/finclude/m_common_io.mod

The FoX directory is created during the make process. How do I remove/delete m_commom_io.mod

Here are my configure flags, if this helps:
$./configure --with-scalapack=yes --enable-parallel --enable-openmp --enable-shared \
--prefix=/home/chandan_prescience_in/apps/QE/670 \
BLAS_LIBS=/home/chandan_prescience_in/apps/blis/lib/libblis.a \
LAPACK_LIBS=/home/chandan_prescience_in/apps/libFLAME/lib/libflame.a  \
FFT_LIBS=/home/chandan_prescience_in/apps/amd-fftw/double/lib/libfftw3.a \
FFTW_INCLUDE=/home/chandan_prescience_in/apps/amd-fftw/double/include \
MPI_LIBS="-L/home/chandan_prescience_in/apps/openmpi/410/lib" \
DFLAGS="-D__FFTW3 -D__MPI -D__SCALAPACK" \
IFLAGS="-I/home/chandan_prescience_in/apps/blis/include \
-I/home/chandan_prescience_in/apps/libFLAME/include  \
-I/home/chandan_prescience_in/apps/amd-fftw/double/include \
-I/home/chandan_prescience_in/softwares/q-e-qe-6.7.0/FoX/finclude \
-I/home/chandan_prescience_in/softwares/q-e-qe-6.7.0/include" \
SCALAPACK_DIR=/home/chandan_prescience_in/apps/scalapack \
SCALAPACK_LIBS=/home/chandan_prescience_in/apps/scalapack/libscalapack.a

Thank you!

Chandan 
--
Chandan Kumar Choudhury, PhD
Senior Scientist (Computational Science)
Prescience.in
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