Hello,
For some reason, your .bash_profile is not getting sourced automatically.
Is .bash_profile in your home directory? I'm assuming bash is your shell?
One thing you can try is to create a file ".profile" in your home directory
and add the command "source ~/.bash_profile" in the first line. I think
.profile is always sourced, but perhaps I may be mistaken.
Another option is to use the "-static" flag when you compile amber11 so that
it won't need to go looking for the libraries (not recommended on Mac OS X).
This is a linux issue, not an Amber issue, so the relevant google search or
linux forum would probably be more helpful than this list.
Good luck!
Jason
On Sat, Oct 2, 2010 at 10:52 AM, Sangita Kachhap <sangita.imtech.res.in>wrote:
>
> Hello all
>
> I have installed amber11 in serial and parallel successfully. But when I am
> running sander.MPI
> I have to source .bash_profile before run.
>
> Whenever I dont source, it not runs with error:
>
> sander.MPI: error while loading shared libraries: libmpi_f90.so.0: cannot
> open shared object file: No such file or directory
>
> I have checked this library is located in /home/sangita/amber11/lib since I
> have
> uesd .configure_openmpi option for amber11 installation. I have added its
> path
> to LD_LIBRARY_PATH then also,its giving error.
>
> My .bash_profile is:
>
> # .bash_profile
>
> # Get the aliases and functions
> if [ -f ~/.bashrc ]; then
> . ~/.bashrc
> fi
>
> # User specific environment and startup programs
>
> AMBERHOME=/home/sangita/amber11; export AMBERHOME
> PYTHONPATH=$HOME/lib64/python; export PYTHONPATH
> LD_LIBRARY_PATH=$AMBERHOME/lib:$LD_LIBRARY_PATH ;export LD_LIBRARY_PATH
>
>
> PATH=$PATH:$HOME/bin:$AMBERHOME/bin:/home/sangita:/usr/local/bin/vmd:/usr/X11R6/lib/libXt.so.6
>
> export PATH
>
> Please anybody suggest me what is the problem.
>
> Sangita Kachhap
> JRF
> BIC,IMTECH
> CHANDIGARH
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Graduate Student
352-392-4032
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Received on Sat Oct 02 2010 - 08:30:03 PDT
