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Installing OpenMX-3.9 on supercomputer
Date: 2020/10/30 01:46
Name: Riemann Dearakhshan   <riemann.derakhshan@gmail.com>

Dear All,

I'm trying to install OpenMX-3.9 on supercomputer. To this end, I have modified the makefile as below
============================================================================================================
CC = mpicc -O3 -xAVX -axCORE-AVX2 -ip -no-prec-div -qopenmp -I$EBROOTFFTW/include/fftw
FC = mpif90 -O3 -xAVX -axCORE-AVX2 -ip -no-prec-div -qopenmp
LIB= -L$EBROOTFFTW/lib -lfftw3 -L$MKLROOT/lib/intel64 -lmkl_scalapack_lp64 -lmkl_intel_lp64 -lmkl_intel_thread -lmkl_core -lmkl_blacs_open mpi_lp64 -lmpi_usempif08 -lmpi_usempi_ignore_tkr -lmpi_mpifh -liomp5 -lpthread -lm -ldl
============================================================================================================

then after loading relevant modules as "module load 2020", "module load intel/2020a", "module load FFTW/3.3.8-intel-2020a ", and running the "make all" command, I got below errors.
============================================================================================================
mpicc -O3 -xAVX -axCORE-AVX2 -ip -no-prec-div -qopenmp -IBROOTFFTW/include/fftw -I./elpa-2018.05.001 -c openmx.c
gcc: error: unrecognized command line option e-axCORE-AVX2f
gcc: error: unrecognized command line option e-ipf; did you mean e-pf?
gcc: error: unrecognized command line option e-no-prec-divf
gcc: error: unrecognized command line option e-qopenmpf; did you mean e-fopenmpf?
============================================================================================================
I will highly appreciate it if you OpenMX developers or any of user which have any experience in this regard share your experience with me to fix this issue.

Thank you in advance.

Regards,
Vahid
e
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Re: Installing OpenMX-3.9 on supercomputer ( No.1 )
Date: 2020/10/30 01:55
Name: Naoya Yamaguchi

Hi,

The errors said that the parameters you set were for Intel compilers, not for GCC, you can set parameters for GCC.
If you want to use Intel compilers, you may ask the administrators or supercomputer center and learn how to do so.

Regards,
Naoya Yamaguchi
e
Re: Installing OpenMX-3.9 on supercomputer ( No.2 )
Date: 2020/10/30 04:47
Name: Riemann Dearakhshan  <riemann.derakhshan@gmail.com>

Dear Naoya,

Thank you so much for your prompt reply.

Regards,
Vahid
e

Page: [1]

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