[CP2K-user] [CP2K:11994] Problems installing CP2K using libint-v2.5.0-cp2k-lmax-4

[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:
> 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
> 
> 
>  
> 
> 
> 
> 
> 
> 
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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.