Installation of libint and libxc using the Cray Compiler wrappers

iskarmou dcya... at hotmail.com
Tue Dec 1 15:24:06 CET 2015


Dear all,

I am trying to install the libint-1.1.4 and libxc-2.2.0 libraries in order
to compile cp2k-2.5.0 on a Cray supercomputer ( Titan).
When I am trying to use the cc and CC wrappers in the Cray environment
I cannot compile the libraries. On the other hand, there is no problem
with gnu and intel compilers.
Any ideas on how to resolve this problem?

The error message for libxc is:
libtool: link: cc -g -O2 -o xc-info xc-info.o  -lm ./.libs/libxc.a
./.libs/libxc.a(gga_c_q2d.o): In function 
`work_gga_c$$CFE_id_af3916ee_7fd6a169':
/autofs/nccs-svm1_home1/iskarmou/soft_tgz/libxc-2.2.0/src/work_gga_c.c:86: 
undefined reference to `xc_gga_c_q2d_func'
/opt/cray/cce/8.4.0/cray-binutils/x86_64-unknown-linux-gnu/bin/ld: link 
errors found, deleting executable `xc-info'


libint error:

make[3]: Entering directory 
`/autofs/nccs-svm1_home1/iskarmou/soft_tgz/libint-1.1.4/src/lib/libint'
if test -f "make_libsrcdir"; then \
make rm_libsrcdir; \
fi; \
/usr/bin/install -c -d -m 0755 tmp/libint || exit 1; \
ln -s tmp/libint src || exit 1; \
    echo "Last time the library source directory was created:\c" > 
make_libsrcdir
date >> make_libsrcdir
cp -f 
/autofs/nccs-svm1_home1/iskarmou/soft_tgz/libint-1.1.4/src/lib/libint/Makefile.library 
tmp/libint/Makefile
cd src; 
/ccs/home/iskarmou/soft_tgz/libint-1.1.4/src/lib/libint/../../../src/bin/libint/build_libint
/bin/sh: line 1: 13487 Illegal instruction     
/ccs/home/iskarmou/soft_tgz/libint-1.1.4/src/lib/libint/../../../src/bin/libint/build_libint
make[3]: *** [tmp/libint/libint.h] Error 132

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