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

[Jerry Tanoury]

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

 

[Jerry Tanoury]

Solved the problem.  During the libint build, the fortran mod file was not being copied to the include directory.  I manually copied it there and no libint errors were observed.

Jerry

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[Ryosuke Kikuchi]

I met the same problem about libint2.
I guess intel fortran needs the fortran flag "-nofor_main" but FCFLAGS was not recognized when configure was done.
Could you tell me your procedure specifically?

Best regards,
Ryosuke

2019年7月29日月曜日 9時51分51秒 UTC+9 Jerry Tanoury:

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2019年7月29日月曜日 9時51分51秒 UTC+9 Jerry Tanoury:

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[Jerry Tanoury]

Hi Ryosuke,

When I built libint-v2.5.0-cp2k-lmax4, there was a fortran directory in my build directory.  The contents of this directory were not copied to the include directory within my installation directory during 'make install'.  I did that manually, and my cp2k build worked as expected.

Jerry

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[Ryosuke Kikuchi]

Thank you for your reply.
The building of CP2K 7.0 was succeeded!

Best regards,
Ryosuke