[CP2K:6175] Compiling 2.6.0

pnogil... at sheffield.ac.uk pnogil... at sheffield.ac.uk
Wed Mar 4 10:27:51 UTC 2015


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
>>
>>
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