Dear amber users,
I am using ambertools 14 to do MD simulation on Rocks Compute Node.
I did minimization step without any problem using:
$AMBERHOME/bin/sander -O -i min.in -o min.out -p comp_sol.prmtop -c
comp_sol.inpcrd -r min.rst -ref comp_sol.inpcrd -inf min_info
But, when I use following commands:
mpirun -np 12 $AMBERHOME/bin/sander.MPI -O -i min.in -o min.out -p
comp_sol.prmtop -c comp_sol.inpcrd -r min.rst -ref comp_sol.inpcrd -inf
min_info
I encountered with
/share/apps/amber/amber14/bin/sander.MPI: error while loading shared
libraries: libmpi_cxx.so.1: cannot open shared object file: No such file or
directory
What is the reason of this problem and how to resolve that?
Any help will highly appreciated.
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Received on Thu Oct 01 2015 - 02:00:03 PDT
