[AMBER-Developers] Netcdf broken

From: Ross Walker <ross.rosswalker.co.uk>
Date: Wed, 14 Aug 2013 17:55:22 -0700

Hi All,

I think the following commits broke netcdf:

The branch, master has been updated
       via be1c6e50fb489290aba1588182ce1aa82bfe3bfd (commit)
      from 16157f4a073651b10ff80c181555d5dc1f03e33c (commit)


- Log -----------------------------------------------------------------
commit be1c6e50fb489290aba1588182ce1aa82bfe3bfd
Author: David A. Case <case.biomaps.rutgers.edu>
Date: Wed Aug 14 10:32:03 2013 -0400

more updates related to sending --enable-shared to netcdf:
we seem to need both -lnetcdff and -lnetcdf: why was this not true before??
but only send -lnetcdff to fortran codes: sander/pmemd/pmemd.amoeba

The way we handle netcdf is a giant hack, that seems very fragile. The
configure script always things netcdf needs to be rebuilt, even when
nothing
has changed. And, supporting netcdf libraries in arbitary locations seems
*very* complicated and fragile.


The branch, master has been updated
       via 16157f4a073651b10ff80c181555d5dc1f03e33c (commit)
      from e6b8938efbbcb308af2b47b293c78f54dee2392f (commit)


- Log -----------------------------------------------------------------
commit 16157f4a073651b10ff80c181555d5dc1f03e33c
Author: David A. Case <case.biomaps.rutgers.edu>
Date: Tue Aug 13 22:01:19 2013 -0400

pass --enable-shared to netcdf and fftw3, needed for phenix interface

-----------------------------------------------------------------------

Summary of changes:
AmberTools/src/configure2 | 26 +++++++++-----------------
1 file changed, 9 insertions(+), 17 deletions(-)

--
E.g.
Redhat EL6
git clone gitosis.git.ambermd.org:amber.git
cd amber
export AMBERHOME=`pwd`
./configure -cuda gnu
make -j8 
make test
cd gb_ala3/ && ./Run.igb1_ntc1_min  SPFP /scratch1/amber/include/netcdf.mod
../../../bin/pmemd.cuda_SPFP: error while loading shared libraries:
libnetcdff.so.4: cannot open shared object file: No such file or directory
  ./Run.igb1_ntc1_min:  Program error
Ideas?
/\
\/
|\oss Walker
---------------------------------------------------------
|             Associate Research Professor              |
|            San Diego Supercomputer Center             |
|             Adjunct Associate Professor               |
|         Dept. of Chemistry and Biochemistry           |
|          University of California San Diego           |
|                     NVIDIA Fellow                     |
| http://www.rosswalker.co.uk | http://www.wmd-lab.org  |
| Tel: +1 858 822 0854 | EMail:- ross.rosswalker.co.uk  |
---------------------------------------------------------
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Received on Wed Aug 14 2013 - 18:00:02 PDT
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