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Error when Installing OpenMX 3.9
Date: 2020/10/07 17:38
Name: Han

Hi

I'm trying to installing OpenMX 3.9 on Ubuntu 20.04

These are CC and LIB that I have been using
CC = mpicc -O3 -fopenmp -ffast-math
FC = mpif90 -O3 -fopenmp -ffast-math
LIB= -lscalapack-openmpi -llapack -lblas -lfftw3 -L/usr/lib/x86_64-linux-gnu/openmpi/lib/ -lmpi -lmpi_mpifh -lgfortran

when I ran the command, make install, I got this result

mpif90 -O3 -fopenmp -ffast-math -I./elpa-2018.05.001 -c ./elpa-2018.05.001/elpa1_compute_real.F90
./elpa-2018.05.001/elpa1_compute_real.F90:56:6:

56 | use elpa_utilities
| 1
Fatal Error: Cannot read module file ‘elpa_utilities.mod’ opened at (1), because it was created by a different version of GNU Fortran
compilation terminated.
make: *** [makefile:962: elpa1_compute_real.o] Error 1


Any advice to resolve this error?
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Re: Error when Installing OpenMX 3.9 ( No.1 )
Date: 2020/10/07 17:48
Name: Naoya Yamaguchi

Hi,

Please try the following.
$ make clean && make install

Regards,
Naoya Yamaguchi
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Re: Error when Installing OpenMX 3.9 ( No.2 )
Date: 2020/10/09 18:13
Name: Han

Hi,

Thank you for your advice, the installation process has completed successfully. But now i face another error when installing 3.9.2 patch.
This is the error message that i got:
/usr/bin/ld: /lib/x86_64-linux-gnu/libm.so.6: error adding symbols: DSO missing from command line
collect2: error: ld returned 1 exit status
make: *** [makefile:1117: MulPOnly] Error 1

Do you have any additional suggestion ?

Regards,
Han
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Re: Error when Installing OpenMX 3.9 ( No.3 )
Date: 2020/10/10 02:28
Name: Naoya Yamaguchi

Dear Han,

Please modify the following lines in MulPOnly;
MulPOnly: MulPOnly.o read_scfout.o Inputtools_kSpin.o EigenValue_Problem.o Eigen_HH.o Tools_BandCalc.o GetOrbital.o SigmaEK.o
$(CC) $^ $(LIB) -o $@
and add "-lm" as follows.
MulPOnly: MulPOnly.o read_scfout.o Inputtools_kSpin.o EigenValue_Problem.o Eigen_HH.o Tools_BandCalc.o GetOrbital.o SigmaEK.o
$(CC) $^ $(LIB) -lm -o $@

Regards,
Naoya Yamaguchi
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