Dear all,
I install parallel version of amber11 using following command as mentioned in the manual
cd $AMBERHOME/AmberTools/src
./configure -mpi gnu (as an example)
cd ../../src
make clean (important! don’t neglect this step)
make parallel
And the I apply the following command for test
cd $AMBERHOME/test
export DO_PARALLEL='mpirun -np 4'
make test.parallel
Now to run the parallel version ./sander command is enough or I have to use any other command. How could I understand that a process undergo via parallel or not? Please let me know.
With best regards
Sindrila
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Received on Sat Sep 29 2012 - 04:00:02 PDT
