[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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