Error while compiling openmx 3.9

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Error while compiling openmx 3.9

Date: 2024/07/02 19:58
Name: Zhang Ting <phzting@ust.hk>: Dear all:

I'm a new user of openmx. I download openmx 3.9 and compile, however, a mistake occurs as follows:

****************************************************
ld: elpa1_compute_real.o: undefined reference to symbol '_f90_dope_vector_init'
/opt/ohpc/pub/compiler/intel/compilers_and_libraries_2020.1.217/linux/compiler/lib/intel64_lin/libifcoremt.so.5: error adding symbols: DSO missing from command line
make: *** [openmx] Error 1
****************************************************

I'm using the following setting in makefile:

MKLROOT = /opt/ohpc/pub/compiler/intel/compilers_and_libraries_2020.1.217/linux/mkl
CC = mpicc -O3 -xHOST -ip -no-prec-div -qopenmp -I/opt/ohpc/pub/compiler/intel/compilers_and_libraries_2020.1.217/linux/mkl/include/fftw
FC = mpif90 -O3 -xHOST -ip -no-prec-div -qopenmp
LIB= -L${MKLROOT}/lib/intel64 -lmkl_scalapack_lp64 -lmkl_intel_lp64 -lmkl_intel_thread -lmkl_core -lmkl_blacs_openmpi_lp64 -lmpi_usempif08 -lmpi_usempi_ignore_tkr -lmpi_mpifh -liomp5 -lpthread -lm -ldl

Dose anyone encounter such problem? I'll be very appreciate if someone can help!

Regards
Zhang Ting

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Re: Error while compiling openmx 3.9 ( No.1 )

Date: 2024/07/10 09:34
Name: A. Terasawa <a.terasawa@rist.or.jp>

Is it possible for you to try the option below instead?

CC = mpicc -O3 -xHOST -ip -no-prec-div -qopenmp -I${FFTW_INCLUDE}
FC = mpif90 -O3 -xHOST -ip -no-prec-div -qopenmp
LIB= -L${MKLROOT}/lib/intel64 -lmkl_scalapack_lp64 -lmkl_intel_lp64 -lmkl_intel_thread -lmkl_core -lmkl_blacs_openmpi_lp64 -lmpi_usempif08 -lmpi_usempi_ignore_tkr -lmpi_mpifh -lifcore -liomp5 -lpthread -lm -ldl

Put the right pass in ${FFTW_INCLUDE} depending on your environment.
The only difference is
-lifcore
in LIB options.

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