Re: compilation of NAMD 2.12 fails

From: Vermaas, Joshua (Joshua.Vermaas_at_nrel.gov)
Date: Thu Apr 27 2017 - 11:37:08 CDT

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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