[gmx-users] problem with LAM

[Sridhar Acharya]

Hi All,

I am facing a problem for parallel mdrun.
I tried to run in 2 nodes with the following command. The program reports that lamd is not running as follows.
####################################################################################################
mpirun -np 2  /users/soft/GromacsSingle/bin/mdrun_mpi -s b4em_1CYP_WT.tpr -o em_1CYP_WT.trr -np 2
-----------------------------------------------------------------------------
It seems that there is no lamd running on this host, which indicates
that the LAM/MPI runtime environment is not operating.  The LAM/MPI
runtime environment is necessary for MPI programs to run (the MPI
program tired to invoke the "MPI_Init" function).

Please run the "lamboot" command the start the LAM/MPI runtime
environment.  See the LAM/MPI documentation for how to invoke
"lamboot" across multiple machines.
-----------------------------------------------------------------------------
-----------------------------------------------------------------------------
It seems that [at least] one of the processes that was started with
mpirun did not invoke MPI_INIT before quitting (it is possible that
more than one process did not invoke MPI_INIT -- mpirun was only
notified of the first one, which was on node n0).

mpirun can *only* be used with MPI programs (i.e., programs that
invoke MPI_INIT and MPI_FINALIZE).  You can use the "lamexec" program
to run non-MPI programs over the lambooted nodes.
-----------------------------------------------------------------------------
##################################################################################################

But lamd is very well running, because I could get the status of lam nodes with the "lamnodes" command.
########################################################################################
[msridhar at cdfd-grid-node17 WT_SINGLE_PARALLEL]$ lamnodes
n0      cdfd-grid-node2:1:
n1      cdfd-grid-node4:1:
n2      cdfd-grid-node12:1:
n3      cdfd-grid-node13:1:
n4      cdfd-grid-node14:1:
n5      cdfd-grid-node16:1:
n6      cdfd-grid-node17:1:origin,this_node
###########################################################################################
Do I have to define any paths so that it could recognise this?

Waiting for your suggessions.

sridhar

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