You may need to include $AMBERHOME/lib in LD_LIBRARY_PATH, e.g. (bash)
export LD_LIBRARY_PATH=$AMBERHOME/lib:$LD_LIBRARY_PATH
-Dan
On Fri, Feb 14, 2014 at 4:29 PM, <wmsmith.uci.edu> wrote:
> Hello,
> I've been working on testing the update for pbsa defaults and have
> noticed a strange error when testing mmpbsa.py. (running make PB from the
> mmpbsa folder in AmberTools/test)
> When I run it from my Ubuntu workstation, the script Run.PB fails with a
> program error
> inspecting the mmpbsa.out file, I see the line:
>
> "/home/wmsmith/amber13_master/bin/mmpbsa_py_energy: error while loading
> shared libraries: libnetcdf.so.7: cannot open shared object file: No such
> file or directory"
>
> The very strange thing is, that if I run this script from an ssh
> connection on my mac, it works correctly!
> The AMBERHOME is setup properly (I set it using the export command after
> logging in) so its not a case of using a different build...
>
> Does anyone have any idea as to why mmpbsa_py_energy is able to find
> libnetcdf.so.7 when run over an ssh connection but not from a terminal on
> the local machine itself?
>
> This is occurring even after pristine builds (clean everything using make
> clean, make uninstall, git clean -xdf then configure and make install)
>
> My mac (where I tunnel in from using ssh) is a 2010 MacBook Pro running
> OSX 10.6.8
> The local workstation where Amber is installed is a Dell Optiplex 3010
> running Ubuntu 12.04 (long-term support)
>
> Running locate libnetcf.so.7 shows that it is located under the lib folder
> in my Amber home directory, so I'm not sure why it isn't getting found.
>
>
> _______________________________________________
> AMBER-Developers mailing list
> AMBER-Developers.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber-developers
>
--
-------------------------
Daniel R. Roe, PhD
Department of Medicinal Chemistry
University of Utah
30 South 2000 East, Room 201
Salt Lake City, UT 84112-5820
http://home.chpc.utah.edu/~cheatham/
(801) 587-9652
(801) 585-6208 (Fax)
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Received on Fri Feb 14 2014 - 16:00:02 PST
