[DFTB-Plus-User] DFTB compiling error
Alessandro Landi
alelandi1 at unisa.it
Fri Apr 6 15:20:17 CEST 2018
Dear Bálint,
I tried to follow your advice by updating gcc and gfortran to their
version 7.
However, I still get the following error:
/usr/bin/ld: cannot find -larpack
By the way, if I try to install a previous version of DFTB+ (1.3.0), I
also get these errors:
/usr/bin/ld: cannot find -lf77blas
/usr/bin/ld: cannot find -lcblas
/usr/bin/ld: cannot find -latlas
But I did install BLAS, LAPACK and ARPACK, using the following
procedure:
1) For BLAS and LAPACK
sudo apt-get update
sudo apt-get install libblas-dev checkinstall
sudo apt-get install libblas-doc checkinstall
sudo apt-get install liblapack-dev checkinstall
sudo apt-get install liblapack-doc checkinstall
2) FOR ARPACK
wget -O - http://www.caam.rice.edu/software/ARPACK/SRC/arpack96.tar.gz |
tar xzvf -
wget -O - http://www.caam.rice.edu/software/ARPACK/SRC/patch.tar.gz |
tar xzvf -
cd ARPACK
make FC=gfortran FFLAGS= MAKE=/usr/bin/make
ARPACKLIB=$HOME/ARPACK/libarpack.a lib
And then I made a symbolic link to libarpack.a in /usr/bin
Any chance you can explain me what is the problem here? Should I install
the libraries in a different way?
Best regards,
Alessandro
Il 2018-04-05 17:50 Bálint Aradi ha scritto:
> Dear Alessandro,
>
>> Could you please help me understanding what I am doing wrong?
>
> My guess would be gcc/gfortran being too old and therefore buggy. You
> can only compile DFTB+ with gfortran 5.4 and above.
>
> Best regards,
>
> Bálint
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--
> Alessandro Landi, Ph.D. Student
> Università degli Studi di Salerno
> Dipartimento di Chimica e Biologia "Adolfo Zambelli"
> Via Giovanni Paolo II, 132 - 84084 Fisciano (SA), Italy
> Phone number +39 089969390
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