Re: compilation of NAMD 2.12 fails

From: David Hardy (dhardy_at_ks.uiuc.edu)
Date: Thu Apr 27 2017 - 12:36:35 CDT

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 <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> 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
>>
>

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