[CP2K:7505] Compiling cp2k on intel ifort 13.1.3 icc 13.0.0

[Iain Bethune]

OK, hopefully once you have sorted out the problem with the compiler version, then it will work.

All the PRIVATE keyword does is ensure that module variables or subroutines cannot be accessed from outside the module (unless they are explicitly declared as PUBLIC) i.e. it allows for proper encapsulation.  Removing it makes no difference to the functionality or performance of the code, but makes it possible for developers to directly access variables/subroutines that were not meant to be part of the module’s public API.

So if you are stuck with Intel 14.0, you can just comment out the PRIVATE keyword as a workaround, and this will be perfectly safe.

- Iain

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Iain Bethune
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> On 10 Mar 2016, at 13:24, Cohen, Ronald <rco... at carnegiescience.edu> wrote:
> 
> Dear Iain,
> 
> Thank you so much for your quick response! Indeed you are right--there seems to be a problem with our cluster. Although I loaded: 
> 
>  . /opt/intel/compilers_and_libraries_2016.0.079/linux/bin/compilervars.sh intel64
> 
> I am getting an older compiler:
> 
> mpif90 -V
> Intel(R) Fortran Intel(R) 64 Compiler XE for applications running on Intel(R) 64, Version 14.0.0.080 Build 20130728
> Copyright (C) 1985-2013 Intel Corporation.  All rights reserved.
> 
> [rcohen at deepcarbon makefiles]$ ifort -V
> Intel(R) Fortran Intel(R) 64 Compiler XE for applications running on Intel(R) 64, Version 14.0.0.080 Build 20130728
> Copyright (C) 1985-2013 Intel Corporation.  All rights reserved.
> 
> So I guess we need the latest compiler installed. What does te PRIVATE statement do? I have never used it. Thank you!
> 
> Sincerely,
> 
> Ron
> 
> 
> ---
> Ronald Cohen
> Geophysical Laboratory
> Carnegie Institution
> 5251 Broad Branch Rd., N.W.
> Washington, D.C. 20015
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> 
> On Thu, Mar 10, 2016 at 5:44 AM, Iain Bethune <ibet... at epcc.ed.ac.uk> wrote:
> Hi Ronald,
> 
> Unfortunately Intel don’t have a good record of back-porting bug-fixes into older compiler releases.  We also don’t have enough time to keep testing older versions of the compiler against the latest code.  However, I can confirm that issue is fixed as of the latest releases of the compiler, so if you are able to upgrade the problem should go away.
> 
> You can find example arch files for the Intel 16.0.1 compiler linked from dashboard.cp2k.org
> 
> - Iain
> 
> --
> 
> Iain Bethune
> Project Manager, EPCC
> 
> Email: ibet... at epcc.ed.ac.uk
> Twitter: @IainBethune @PrimeGrid @CP2Kproject
> Web: http://www2.epcc.ed.ac.uk/~ibethune
> Tel/Fax: +44 (0)131 650 5201/6555
> Mob: +44 (0)7598317015
> Addr: 2404 JCMB, The King's Buildings, Peter Guthrie Tait Road, Edinburgh, EH9 3FD
> 
> > On 9 Mar 2016, at 21:27, Ronald Cohen <rco... at carnegiescience.edu> wrote:
> >
> > Apparently still not fixed.
> >
> > On Friday, October 18, 2013 at 6:02:24 PM UTC-4, Fiona Reid wrote:
> > Hi Folks,
> > This is a known compiler bug which we reported to Intel and will apparently be fixed in the next releases of the compiler. If you want to use version 13.1.3 then comment out line 23 (i.e. PRIVATE) of dbcsr_lib/dbcsr_error_handling.F and the code should compile/ run fine.
> >
> > Also, when you start compiling the parallel versions you should remove the -heap-arrays flag. With SSMP/PSMP builds we had lots of problems caused by this flag.
> >
> > Hope that helps,
> >
> > Fiona
> >
> >
> >
> >
> >
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