Compile error OpenMX3.9.9 on intel core i5, Debian 12 with gcc , gfortran, intel-MKL

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Compile error OpenMX3.9.9 on intel core i5, Debian 12 with gcc , gfortran, intel-MKL

Date: 2024/10/03 18:08
Name: Tsutomu Hoshino <thoshino@ee.meisei-u.ac.jp>: I am trying compile openMX3.9.9 on intel core i5 (openmpi 10 machine), Debian 12 with gcc , gfortran, intel-MKL.

pre-installed package
intel-mkl-full 2020.4.304-4
libmkl-blacs-openmpi-lp64 2020.4.304-4
libmkl-blacs-openmpi-ilp64 2020.4.304-4
libfftw3-dev 3.3.10-1
libopenmpi-dev 4.1.4-3+b1
libblis64-openmp-dev 0.9.0-1
libelpa-dev 2022.11.001-2
libelpa19 2022.11.001-2

gcc sugests add #include <string.h> in file DFT.c, Force.c and TRAN_Channel_Output.c

There are so many type mismatch between actual argument REAL(8)/COMPLEX(8) in elpa1.f90

I am applicate your proper suggestion to pregress my installation.

I attached makefile and make log as follows:
makefile
https://kenkyu.hino.meisei-u.ac.jp/hoshino/openMX/makefile
=================================================================================================================
make log
https://kenkyu.hino.meisei-u.ac.jp/hoshino/openMX/make.log

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Re: Compile error OpenMX3.9.9 on intel core i5, Debian 12 with gcc , gfortran, intel-MKL ( No.1 )

Date: 2024/10/04 03:11
Name: Naoya Yamaguchi

Dear Prof. Hoshino,

>There are so many type mismatch between actual argument REAL(8)/COMPLEX(8) in elpa1.f90

Adding `-fallow-argument-mismatch` to `FC` will change that errors to warnings.

Regards,
Naoya Yamaguchi

Re: Compile error OpenMX3.9.9 on intel core i5, Debian 12 with gcc , gfortran, intel-MKL ( No.2 )

Date: 2024/10/05 13:58
Name: Tsutomu Hoshino <thoshino@ee.meisei-u.ac.jp>

Thank you ver much Prof Naoya Yamaguchi.
With many warnings, openMX was made.
I had link problems, I changed libraries not use MKL as follws;

Part of makefile
=========================================================================================================================-
INCROOT =/usr/include/x86_64-linux-gnu
CC = mpicc -O3 -fopenmp -fcommon -Dkcomp -I/usr/include -I${INCROOT} -I${INCROOT}/openblas-openmp -I${INCROOT}/openmpi -I/usr/include/elpa/elpa
FC = mpif90 -O3 -fopenmp -I${INCROOT} -I/usr/include -I/usr/include/elpa/elpa -fallow-argument-mismatch
LIB= -L/usr/lib/x86_64-linux-gnu -lscalapack-openmpi -lmpi_usempif08 -lmpi_usempi_ignore_tkr -lmpi_mpifh -lgomp -lpthread -lm -ldl -lgfortran -llapack -lblas
============================================================================================================================

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