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<P>Dear XAvier:</P>
<P>As you said, I should use the command:</P>
<P>mpirun -np 16 mdrun_mpi -np 16 -v -s em -e em -o em -c after_em</P>
<P>Is it exact? Because it is my first time to use Gromacs with MPI
version.</P>
<P>Thanks a lot!</P>
<P> </P>
<P>Regards</P>
<P>Yinghong:</P>
<P>> Dear all:<BR>><BR>> I need to execute Gromacs with MPI version,
for example, in common PC<BR>> with 1 CPU, we use the following command to
make MD running.<BR>><BR>> mdrun -v -s em -e em -o em -c
after_em.<BR>><BR>> What is the corresponding command with "mdrun_mpi"?
assuming I use 16<BR>> parallel CPUs.<BR>><BR>mpirun -np 16 mdrun_mpi</P>
<P>> Another question: can I use "mdrun -np 16 -v -s em...." to
replace<BR>> "mdrun_mpi", are both the same?<BR>><BR>You just ahve to
compile gromacs with the option mpi on (--enable-mpi)</P>
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