Re: compilation of NAMD 2.12 fails

From: Vlad Cojocaru (vlad.cojocaru_at_mpi-muenster.mpg.de)
Date: Fri Apr 28 2017 - 09:14:58 CDT

Dear Joshua, Dear Dave,

Thanks for your suggestions ... Removing "gfortran" from the charm
compilation does not change anything... Also, mpicxx points to g++
4.8.5. I also tried to compile the new 2.13 nightly build code and I got
completely different errors, so I guess I will first try to get 2.12
working ...

Best
Vlad

On 04/27/2017 07:36 PM, David Hardy wrote:
> Dear Vlad,
>
> Have you verified that mpicxx is in fact wrapping gcc 4.8.5? Looks
> like "mpicxx -showme" will tell you.
>
> Compilation appears to be failing on the auto-typed variables, but
> according to
> https://gcc.gnu.org/projects/cxx-status.html
> it should be supported for gcc 4.4 and above.
>
> You would reduce some warnings by explicitly setting -std=c++11
> compiler option.
>
> Best regards,
> Dave
>
>
>> On Apr 27, 2017, at 11:37 AM, Vermaas, Joshua
>> <Joshua.Vermaas_at_nrel.gov <mailto:Joshua.Vermaas_at_nrel.gov>> wrote:
>>
>> Hi Vlad,
>>
>> The first thing I would try is to recompile charm 6.7.1 without
>> specifying a fortran compiler. This was a few years ago, but I remember
>> that causing some issues that were similarly hard to diagnose when
>> putting NAMD together, which has no fortran components.
>>
>> -Josh
>>
>> On 04/27/2017 09:40 AM, Vlad Cojocaru wrote:
>>> Dear all,
>>>
>>> Compiling NAMD 2.12 on a linux x86_64 linux platform with gcc 4.8.5,
>>> openmpi 2.1.0, charm 6.7.1, fftw3 fails with the attached error
>>> message.
>>> The problematic source file appears to be ComputeQM.C ....
>>>
>>> Any advices on how to fix this would be highly appreciated.
>>>
>>> Best wishes
>>> Vlad
>>>
>>
>

-- 
Vlad Cojocaru, Ph.D., Project Group Leader
Department of Cell and Developmental Biology
Max Planck Institute for Molecular Biomedicine
Röntgenstrasse 20, 48149 Münster, Germany
Tel: +49-251-70365-324; Fax: +49-251-70365-399
Email: vlad.cojocaru[at]mpi-muenster.mpg.de
http://www.mpi-muenster.mpg.de/43241/cojocaru

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