Dear amber users,
I am using following command in amber for heating step in my system
(protein-ligand):
mpirun -np 8 $AMBERHOME/bin/sander.MPI -O -i heat.in -o heat.out -p
comp_sol.prmtop -c min.rst -r heat.rst -x heat.mdcrd -ref min.rst -inf
heat_info
I encountered with:
/share/apps/amber/amber14/bin/sander.MPI: error while loading shared
libraries: libfftw3.so.3: cannot open shared object file: No such file or
directory
--------------------------------------------------------------------------
mpirun noticed that the job aborted, but has no info as to the process
that caused that situation.
--------------------------------------------------------------------------
When I use following command:
$AMBERHOME/bin/sander -O -i heat.in -o heat.out -p comp_sol.prmtop -c
min.rst -r heat.rst -x heat.mdcrd -ref min.rst -inf heat_info
I encountered with:
error while loading shared libraries: libfftw3.so.3: cannot open shared
object file: No such file or directory
How to resolve this issue.
Any help will highly appreciated.
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Received on Sun Aug 14 2016 - 04:30:02 PDT
