[CP2K-user] Problems installing CP2K using libint-v2.5.0-cp2k-lmax-4

Jerry Tanoury jerryt... at gmail.com
Thu Jul 25 16:13:25 UTC 2019


Dear Forum,
I am trying to compile the latest git version of CP2K which passes all test 
in Linux-x86-64-intel.popt (V19.0.3.199) dashboard.  However, I am having 
problems with libint-v2.5.0-cp2k-lmax-4, which worked successfully 
according to the dashboard results.  CP2K and all other supporting codes 
were compiled with Intel version 19.0.3. Here's what I did:

1.  Compiled libint-v2.5.0-cp2k-lmax-4 with: ./configure 
--prefix=/cluster/home/tanoury/CP2K/7x/intelbuilt_packages/libint-v2.5.0-cp2k-lmax-4 
--enable-eri=1 --with-cxx="icpc -g1" --with-cxx-optflags=-g1 
--enable-fortran --with-fc=ifort 
--libdir=/cluster/home/tanoury/CP2K/7x/intelbuilt_packages/libint-v2.5.0-cp2k-lmax-4/lib.  
(configure did not recognize "--enable-eri")
2.  When I ran 'make install', I got a few error messages (see attached 
"libint_error_makeinstall" file).
3.  Compiled libxsmm and libxc-4.3.4 successfully
4.  During my build of CP2K, and got the libint-related error messages: see 
"CP2K_build_errors" file.

I have also attached the arch file I used.

Any help is greatly appreciated.

Thank you and best regards,
Jerry

 

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