[Wien] calculation is not working.

Gavin Abo gsabo at crimson.ua.edu
Fri Aug 10 04:26:51 CEST 2018


-lxc and -lxcf03 tells the compiler's linker to use the LIBXC library 
files named libxc.a and libxcf03.a, respectively.

As the error message says, it cannot find the libxc.a and libxcf03.a files.

The path to the files set in LIBXC-LIBS of siteconfig might incorrect, 
or your installation of LIBXC may have failed.  Make sure the autoreconf 
to 'make install' step complete successfully (the 'make clean' step is 
optional) [ 
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg17175.html 
].

Or if you will not be using the LIBXC-keywords for using the extended 
set of XC energy/potential functionals, another solution should be to 
rerun siteconfig like for the first time again and specify that you do 
not want to use the LIBXC.

To do that, navigate to the base installation directory ($WIENROOT) and 
do in the terminal:

username at computername:~/WIEN2k$ rm WIEN2k_INSTALLDATE
username at computername:~/WIEN2k$ ./siteconfig
...
  Would you like to use LIBXC (that you have installed)? (y,N):
N
...

On 8/9/2018 9:09 AM, Ramsewak Kashyap wrote:
> Compile time errors (if any) were:
> SRC_lapw0/compile.msg:collect2: error: ld returned 1 exit status
> SRC_lapw0/compile.msg:make[1]: *** [lapw0] Error 1
> SRC_lapw0/compile.msg:make: *** [seq] Error 2
> .
> .
> .
> .
> and compile.msg error is-
> /usr/bin/ld: cannot find -lxcf03
> /usr/bin/ld: cannot find -lxc
> collect2: error: ld returned 1 exit status
> Makefile:130: recipe for target 'lapw0' failed
> make[1]: *** [lapw0] Error 1
> make[1]: Leaving directory '/home/ram/WIEN2k/SRC_lapw0'
> Makefile:119: recipe for target 'seq' failed
> make: *** [seq] Error 2
> make: *** No rule to make target 'complex'.  Stop.

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