Re: [AMBER-Developers] Compiling AmberTools mdgx and netcdf problem

From: Daniel Roe <daniel.r.roe.gmail.com>
Date: Thu, 24 Feb 2011 11:56:50 -0500

Hi,

The AmberNetcdf in the AmberTools/sff directory is the one that mdgx
needs. I'm not sure why the #include directive doesn't point to it. If
I change

#include "AmberNetcdf.h"

to

#include "../sff/AmberNetcdf.h"

everything compiles fine. I've pushed this change into the tree. Try
compiling again, let me know if it's still broken.

-Dan


On Thu, Feb 24, 2011 at 11:42 AM, <steinbrt.rci.rutgers.edu> wrote:
> Hi,
>
> in my ongoing quest of failing to compile a fresh Amber checkout every
> single time I try, I came across this problem:
>
> I checked out a fresh copy of Amber, configured AmberTools (using intel
> compilers V11.1) and built a serial version. Everything compiled fine
> except for the mdgx substep. It failed with:
>
> icc -c -ip -O3 -xHost -DBINTRAJ -DHASGZ -DHASBZ2  -D_FILE_OFFSET_BITS=64
> -D_LARGEFILE_SOURCE -DBINTRAJ   -Wall  -I../fftw-3.2.2/api -o Trajectory.o
> Trajectory.c
> Trajectory.c(19): catastrophic error: could not open source file
> "AmberNetcdf.h"
>  #include "AmberNetcdf.h"
>
> Two versions of the missing file are present in src/sff and src/cpptraj,
> but it seems that none was made for mdgx. ./configure succeded on netcdf
> and netcdf_config.log shows no errors. Is this a known problem? Any
> workarounds or should I just comment out the mdgx compile step?
>
> Kind Regards,
>
> Thomas
>
> Dr. Thomas Steinbrecher
> formerly at the
> BioMaps Institute
> Rutgers University
> 610 Taylor Rd.
> Piscataway, NJ 08854
>
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> AMBER-Developers.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber-developers
>

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Received on Thu Feb 24 2011 - 09:00:08 PST
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