[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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