[Wien] LibXc

tran at theochem.tuwien.ac.at tran at theochem.tuwien.ac.at
Thu Feb 8 13:28:10 CET 2018


Hi,

in the directory $WIENROOT/SRC_lapw0/ replace libxc.F by the
one attached. This problem was already reported:
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg16924.html

On Thursday 2018-02-08 13:12, Sherif Yehia wrote:

>Date: Thu, 8 Feb 2018 13:12:53
>From: Sherif Yehia <wien542002 at yahoo.com>
>Reply-To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at>
>To: A. Mailing List for WIEN2k Users <wien at zeus.theochem.tuwien.ac.at>
>Subject: [Wien] LibXc
>
>Dear users
>
>I hope I can get answer for this error sorry I read all libxc  comments Not getting solution
>I am using wien_17_1
>operating system red hat server &  compiler parallel_studio_xe_2018_update1_cluster_edition
>&  libxc-4.0.4  
>
>
>compilers_and_libraries_2018.1.163/linux/mkl/lib/ -pthread  -lmkl_lapack95_lp64 -lmkl_intel_lp64 -lmkl_intel_thread -lmkl_core -qopenmp -lpthread -L/opt/etsf/lib -lxcf03 -lxc
>libxc.o: In function `libxc_':
>libxc.F:(.text+0xda8): undefined reference to `xc_f03_mgga_x_tb09_set_params_'
>libxc.F:(.text+0xdcd): undefined reference to `xc_f03_mgga_x_tb09_set_params_'
>make[1]: *** [lapw0] Error 1
>make[1]: Leaving directory `/home/sherif2/Desktop/m17/SRC_lapw0'
>make: *** [se
>
>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: libxc.F
Type: text/x-fortran
Size: 8287 bytes
Desc: 
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20180208/12aefa75/attachment.f>


More information about the Wien mailing list