[CP2K:6180] Compiling 2.6.0

[Jörg Saßmannshausen]

Hi Peter,

I have successfully build cp2k-2.6.0 with gfortran 4.9.1 and 4.7.2 using 
OpenMPI versions 1.6.5. I did *not* succeed with version 1.8.4 though.

All the best from a sunny London

Jörg

On Wednesday 04 Mar 2015 10:27:51 pnogil... at sheffield.ac.uk wrote:
> Hello Matt,
> 
> Thank you for your suggestion, however I have tried both 4.5.3 and 4.8.2
> and both produce exactly the same error.
> 
> I've sent the details about this problem to our systems administrator,
> which hopefully should at least get an answer if not a solution.
> 
> -Peter
> 
> On Wednesday, 4 March 2015 09:23:34 UTC, Matt W wrote:
> > Hi Peter,
> > 
> > I think the problem is coming from the software stacks imported with the
> > modules. I got the impression that the latest gfortran/openmpi stack was
> > early 4.4 or so, and seemed to struggle to compile cp2k.
> > 
> > Getting the admins to roll an openmpi stack with the latest gfortran
> > available would make life a lot easier for you.
> > 
> > Matt
> > 
> > 
> > 
> > On Tuesday, March 3, 2015 at 4:57:38 PM UTC, pnog... at sheffield.ac.uk
> > 
> > wrote:
> >> Thank you for the swift reply Ian.
> >> 
> >> I can compile simple fortran programs myself using mpif90, however using
> >> the same loaded modules for cp2k reproduces the same error as before.
> >> 
> >> If the problem is not likely to be in the arch file then I will question
> >> our systems administrator instead.
> >> 
> >> Are there any compiler settings which anyone have used successfully for
> >> this build?
> >> 
> >> Best Regards
> >> 
> >> -Peter Gillespie

-- 
*************************************************************
Dr. Jörg Saßmannshausen, MRSC
University College London
Department of Chemistry
Gordon Street
London
WC1H 0AJ 

email: j.sassma... at ucl.ac.uk
web: http://sassy.formativ.net

Please avoid sending me Word or PowerPoint attachments.
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