sarbani chattopadhyay wrote:
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?
There need be nothing wrong with your hostfile. The hostfile describes
the layout and range of MPI possibilities. When you run an MPI program,
the default is to use only one MPI process. If you want more, use mpirun
properly, e.g. mpirun -np 4 mdrun_mpi. These days one doesn't need to
give -np 4 to mdrun_mpi, but the converse is not true.
Mark
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