[gmx-users] lamboot command problem

sarbani chattopadhyay sarbani_c84 at rediffmail.com
Thu Nov 13 09:48:51 CET 2008

Hi everybody,
                    I am facing problem while running parallel runs. Ours is a single Mac Os X 
machine with 2 dual core processors.

Thus the hostfile taht I made was
mac-pros-computer.local cpu=2
mac-pros-computer.local cpu=2

When I use the command "lamboot" I get the message

LAM 7.0.6/MPI 2 C++/ROMIO - Indiana University

n-1<21286> ssi:boot:base:linear: booting n0 (mac-pros-computer.local)
n-1<21286> ssi:boot:base:linear: finished

Then when i try to run mdrun_mpi on 4 processors with the command
nohup mdrun_mpi -v -s 4cpu_3rdvel.tpr -np 4 -N 4 -deffnm 4cpu_3rdvel &
I get the error message:
"run input file 4cpu_3rdvel.tpr was made for 4 nodes,
             while mdrun_mpi expected it to be for 1 nodes"

That means my hostfile could not specify that there are 4 processors. Then how to write the 
hostfile correctly so as to fix this problem?

Thanks in advance
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