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
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Received on Sat Oct 02 2010 - 08:00:04 PDT
