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.
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Received on Fri Feb 14 2014 - 15:30:03 PST
