[gmx-users] run parallel

ha salem greencomp86 at yahoo.com
Thu Jun 5 12:09:53 CEST 2008


dear user
my molecule is HSA it has about 120000 atoms its not small I run the calculation
with
 mpirun -np 4 /usr/local/share/gromacs_331/bin/mdrun -f topol.tpr  o md.trr -c md_out.gro -e md.edr -g md.log &
then I run top and I see 4 cores are working but the time of calculation is the same without 
-np 4 option
can you help me



      
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