[gmx-users] Parallel run on multiple nodes
bobbyhczhang at gmail.com
Wed Apr 4 11:14:07 CEST 2012
Dear GROMACS users,
I'm a new user of GROMACS. The command "mpirun -np 8 mdrun" is working well
in a node with 8 processors.
Now I want to run GROMACS parallel on more processors, i.e., multiple
nodes. I tried to use "mpirun -n 16 -host node018,node022 mdrun" (node018
and node022 each has 8 processors), it gives the following message:
mpirun was unable to launch the specified application as it could not find
while attempting to start process rank 0.
I also tried to use "mpirun -hostfile hostlist mdrun" (hostlist file as
follows), the same message as above appeared.
While the same commands works well for other softwares. Have anyone
encountered similar problem? What is your solution?
Thanks in advance!
MSc Sustainable Energy Engineering
Royal Institute of Technology (Sweden)
Eindhoven University of Technology (Netherland)
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