NEC Cluster Using MPI

OpenMPI example

simple example

To use OpenMPI with intel Compiler, create a .modulerc in your home with this contents:

#%Module1.0#
set version 1.0
module load compiler/intel/11.0
module load mpi/openmpi/1.3-intel-11.0

For compilationuse the mpi wrapper scripts like mpicc/mpic++/mpif90.

The following example is for a pure MPI job, using 16 nodes (128 processes). For Illustration, this is done using an interactvie session (-I option)

First step: Batch submit to get the nodes

 qsub -l nodes=16:nehalem:ppn=8,walltime=6:00:00 -I            # get the 16 nodes

In the session you will get after some time, the application is started with

mpirun -np 128 PathToYourApp

more complex examples

OpenMPI the resources in something called 'slots'. By specifying 'ppn:X' to the batchsystem, the number of slots per node is specified. So for a simple MPI job with 8 process per node (=1 process per core) ppn:8 is best choice, as in above example. Details can be specified on mpirun commandline.

If you want, e.g. because you are restricted by memory per process less processes per node, MPI would always put the first 8 processes on the first node, second 8 on second and so on. To avoid this, you can do

mpirun -np X -npernode 2 /path/to/app

This would start 2 processes per node. Like this, you can use a larger number of nodes with a smaller number of processes, or you can e.g. starts threads out of the processes.

Intel MPI example

As Nehalem system is a two socket system with local attached ccNUMA memory, memory and process placmeent can be crucial.

Here is an example that shows a 16 node Job, using 1 process per socket and 4 threads per socket and optimum NUMA placement of processes and memory.

Prerequiste: Use intel MPI and best intel compiler To setup environment for this, use this .modulerc file in your home:

#%Module1.0#
set version 1.0
module load compiler/intel/11.0
module load mpi/impi/intel-11.0.074-impi-3.2.0.011

And compile your application using mpicc/mpif90.

First step: Batch submit to get the nodes

 qsub -l nodes=16:nehalem:ppn=8,walltime=6:00:00 -I           # get the 16 nodes

Second step: make a hostlist

 sort -u  $PBS_NODEFILE  > m

Third step: make a process ring to be used by MPI later

mpdboot  -n 16 -f m -r ssh  

Fourth step: start MPI application

mpiexec -perhost 2 -genv I_MPI_PIN 0  -np 32 ./wrapper.sh ./yourGloriousApp

With wrapper.sh looking like this

#!/bin/bash
export KMP_AFFINITY=verbose,scatter
export OMP_NUM_THREADS=4
if [ $(expr $PMI_RANK % 2) = 0  ]
then
       export GOMP_CPU_AFFINITY=0-3
       numactl --preferred=0 --cpunodebind=0 $@
else
       export GOMP_CPU_AFFINITY=4-7
       numactl --preferred=1 --cpunodebind=1 $@
fi

Result is an application running on 16 nodes, using 32 processes spawning 128 threads. One set of 4 therads is pinned to the one socket, the other set of 4 threads to the other socket.