Thomas Zeiser

Some comments by Thomas Zeiser about HPC@RRZE and other things

Content

Win a notebook

KONWIHR and Intel just opened the call for a competition on the topic “Innovative Multi- and Many-Core Programming”. Notebooks and travel grants are awarded. Students and staff members of Bavarian Universities and Bavarian Universities of Applied Sciences are eligible to participate. Check http://www.konwihr.uni-erlangen.de/ and the official flyer for more details.

Installation of OpenFOAM-1.5 on Woody

Using pre-built binaries

Does not work as SuSE SLES10SP1 is too different …; one very strange thing is that the gcc-4.3.1 included in the ThridParty packages does work in 32-bit but complains about an incompatible library in 64-bit mode although the library is a correct 64-bit *.so

Building from sources using the Intel Compiler (10.1)

Fails due to problems with C++ templates, etc.

Building gcc-4.3.x manually

Has too many dependencies to quickly do it (MPFR and GNUMP – the SuSE SLES10SP1 versions are too old)

Building from sources using gcc-4.2.2

Requires a patch for autoRefineDriver.C to avoid fatal “invalid conversion” error message; cf. http://openfoam.cfd-online.com/cgi-bin/forum/show.cgi?tpc=126&post=24786)

Some general tricks

  • use WM_COMPILER_INST=System to specify that the system’s gcc should be used and not one which is part of OpenFOAM
  • use WM_NCOMPPROCS to specify the number of CPUs on which make may run concurrently (i.e. the value for make’s -j parameter)
  • at least for building ParaView, cmake (and of course Qt-4.3.x) must be available; it is likely that PV3FoamReader must be compiled afterwards (cf. OF-Readme) and it also depends on cmake
  • when building ParaView, CMAKE_HOME and W_COMPILER_DIR must be set as some sed commands fail otherwise

Running STAR-CCM+ jobs on Woody

Running STAR-CCM+ jobs on Woody

We now have a first user who is using STAR-CCM+ in parallel on the Woody cluster. Starting jobs in batch mode seems to be quite easy. As STAR-CCM+ internally uses HP-MPI, Infiniband should automatically be used correctly, too (although I did not explicitly verify this yet).

Here is what this user currently uses (again no idea if automatic stopping actually works with STAR-CCM+, thus, there might be room for improvements):

[shell]
#!/bin/bash -l
#PBS -l nodes=2:ppn=4
#PBS -l walltime=24:00:00
#PBS -N some-jobname

cd $PBS_O_WORKDIR

module add star-ccm+/3.04.008

# specify the time you want to have to save results, etc.
export TIME4SAVE=800

# detect number of available CPUs (should be modified for Nehalems with active SMT)
ncpus=`cat $PBS_NODEFILE | wc -l`

# STAR-CCM+ starts a master plus N $ncpus slaves; on Woody it’s o.k. to
# oversubscribe the nodes in this way (i.e. ncpus+1 processes on ncpus
# however, on Nehalem nodes (e.g. TinyBlue) it seems to be a very had idea
# to avoid oversubscription, uncomment the following line
## ncpus=$(($ncpus-1))

# check if enough licenses should be available
/apps/rrze/bin/check_lic.sh -c $CDLMD_LICENSE_FILE ccmpsuite 1 hpcdomains $(($ncpus-1))
. /apps/rrze/bin/check_autorequeue.sh

export MPIRUN_OPTIONS=”-v -prot”
# or with pinning: e.g.
## export MPIRUN_OPTIONS=”-v -prot -cpu_bind=v,rank,v”
## export MPIRUN_OPTIONS=”-v -prot -cpu_bind=v,MAP_CPU:0,1,2,3,4,5,6,7,v”

# if there are messages about “mpid: Not enough shared memory” you may try to set
# the maximum shared memory size in bytes by hand – but usually the message means
# that there is really not enough memory available; so forget about this option!
## export MPI_GLOBMEMSIZE=…

export MPI_REMSH=ssh

# automatically detect how much time this batch job requested and adjust the
# sleep attempt;
# make sure you defined the “stop file” within STAR-CCM+ accordingly
( sleep ` qstat -f $PBS_JOBID | awk -v t=$TIME4SAVE \
‘{if ( $0 ~ /Resource_List.walltime/ ) \
{ split($3,duration,”:”); \
print duration[1]*3600+duration[2]*60+duration[3]-t }}’ `; \
touch ABORT ) >& /dev/null &
export SLEEP_ID=$!

starccm+ -batch -np $ncpus -machinefile $PBS_NODEFILE -load myjob.sim

pkill -P $SLEEP_ID
[/shell]