Re: [AMBER-Developers] another amber 14 compile problem netcdf

From: case <>
Date: Fri, 27 Sep 2013 21:58:17 -0400

On Fri, Sep 27, 2013, Daniel Roe wrote:

> I'm not 100% sure but I think mdgx may require '-lnetcdf' since it can
> be built as a shared library. Probably we will need to have
> 'netcdf_flag' in configure2 set as a separate variable in config.h
> (e.g. NETCDF_FLAG) instead of having it just be part of FLIBS, and
> have programs that require '-lnetcdf' (like nab and mdgx) use that.

The real solution is to figure out why some environments have trouble with
netcdf. I'm not sure it's related to the FC, CC, etc. flags, since configure2
explicitly sets all of those at configure time.

Some ideas:

(1) maybe the current version of netcdf will configure in a more reliable

(2) require the user to have a gnu compiler, and only support intel compilers
for pmemd, maybe sander. It would be nice to reduce the number of options
available at configure time--as Mike found out, people don't test things
like -nobintraj very often.

> > Looks like mdgx also has -lnetcdf hardcoded in its Makefile. Do we just
> > replace it with $(NETCDFLIB) ?

That won't work in general. For now, just delete -lnetcdf from the Makefile.


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Received on Fri Sep 27 2013 - 19:00:02 PDT
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