[CP2K-user] [CP2K:12112] Problems installing CP2K using libint-v2.5.0-cp2k-lmax-4

Jerry Tanoury jerryt... at gmail.com
Thu Aug 22 18:06:22 UTC 2019


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

On Tue, Aug 20, 2019 at 9:08 AM Ryosuke Kikuchi <
ryosuke.ki... at gmail.com> wrote:

> 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:
> > 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
> >
> >
> > On Thu, Jul 25, 2019 at 12:13 PM Jerry Tanoury <jer... at gmail.com>
> wrote:
> >
> > 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
> >
> >
> >
> >
> >
> >
> >
> >
> >
> > --
> >
> > You received this message because you are subscribed to the Google
> Groups "cp2k" group.
> >
> > To unsubscribe from this group and stop receiving emails from it, send
> an email to c... at googlegroups.com.
> >
> > To view this discussion on the web visit
> https://groups.google.com/d/msgid/cp2k/32a97b33-aaba-42bd-b02f-3c8ddd274e40%40googlegroups.com
> .
>
>
>
> 2019年7月29日月曜日 9時51分51秒 UTC+9 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
> >
> >
> > On Thu, Jul 25, 2019 at 12:13 PM Jerry Tanoury <jer... at gmail.com>
> wrote:
> >
> > 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
> >
> >
> >
> >
> >
> >
> >
> >
> >
> > --
> >
> > You received this message because you are subscribed to the Google
> Groups "cp2k" group.
> >
> > To unsubscribe from this group and stop receiving emails from it, send
> an email to c... at googlegroups.com.
> >
> > To view this discussion on the web visit
> https://groups.google.com/d/msgid/cp2k/32a97b33-aaba-42bd-b02f-3c8ddd274e40%40googlegroups.com
> .
>
> --
> You received this message because you are subscribed to the Google Groups
> "cp2k" group.
> To unsubscribe from this group and stop receiving emails from it, send an
> email to cp... at googlegroups.com.
> To view this discussion on the web visit
> https://groups.google.com/d/msgid/cp2k/afec639b-c922-4c50-a8ac-209261d5d4fa%40googlegroups.com
> .
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20190822/dfb1de3e/attachment-0001.html>


More information about the CP2K-user mailing list