Thomas Zeiser

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

Content

KONWIHR-Workshop and IHECS3 on July 2, 2007

Contributors to the KONWIHR-Workshop:

  1. 09:00-09:10 Opening remarks and Greetings
  2. 09:10-10:10 Computer Science and Physics
    1. G. Wellein: HQS@HPC – Improving Scalability of large sparse ED studies on HLRB-II; RRZE, Uni-Erlangen
    2. T. Gradl: HHG: Multigrid for Finite Elements on up to 9728 Processors; LS Systemsimulation, Uni-Erlangen
    3. W. Hanke: CUHE – From Supercomputing to High-Temperature Superconductivity: Where are we at?; Chair of Theoretical Physics I, Uni Würzburg
  3. 10:20-11:20 Geo and Life Sciences
    1. H. Igel, H. Wang, M. Ewald: NBW – Strong Ground Motion Variations in the Los Angeles Basin due to Earthquake Processes; Department of Earth Sciences – Geophysics, LMU Munich
    2. M. Ott: ParBaum – Reconstructing the Tree of Life on HPC systems; LS Rechnertechnik und Rechnerorganisation, TU München
    3. T. Clark: QM-CI/MM FRET Simulationen; Center for Computational Chemistry, Uni-Erlangen
  4. 11:30-12:30 Computational Fluid Dynamics
    1. M. Mehl: SkvG – Effiziente parallele Simulation von Strömungsvorgängen auf kartesischen Gittern; LS Informatik mit Schwerpunkt Wissenschaftliches Rechnen, TU München
    2. P. Wenisch: VISimLab – Computational Steering on the Altix 4700: Towards Interactive Comfort Analysis in Civil Engineering; LS Bauinformatik, TU München
    3. F. Durst: BESTWIHR – Complex flow predictions using lattice Boltzmann computations; LS Strömungsmechanik, Uni-Erlangen
  5. 12:30-13:30 Lunch Break
  6. 13:30-18:00 High-End-Computing Symposium in Lecture Room H4 (ground&1st floor in the RRZE building)

Notes:

  • the KONWIHR Results Workshop takes place in RRZE’s seminar room, 2.049, Martensstr. 1 (2nd floor)
  • each presentation is 15+5 minutes
  • the presentations can be given either in German or English
  • we will provide one central notebook for all presentations to save time when switching from presentation to presentation!
  • video conference transmission to Munich or other sites may be arranged upon request

More information and a registration form can be found at the official KONWIHR/EIHECS web page !

The collected presentations of the KONWIHR Results Workshop are available online as PDF file (10.5 MB)!

building mvapich/mvapich2 for woody

Just as an internal information for ourselves: mvapich and mvapich2 heavily depend on the underlaying Infiniband stack. Therefore, both MPI libraries had to be recompiled while changing from Voltaire IBHOST-3.4.5 stack to GridStack 4.1.5 (aka OFED-1.1).

As mvapich/mvapich2 are statically linked into executables, probably those applications have to be recompiled, too.
On the other side, Intel-MPI (which is the default on woody) is not affected, thus, most of the users’ applications will not require recompilation.

The RRZE versions of mvapich-0.9.8 and mvapich2-0.9.8 were now compiled using:

module load intel64-c/9.1.049, intel64-f/9.1.045
export CC=icc
export CXX=icpc
export F77=ifort
export F90=ifort
export ARCH=_EM64T_
export OPEN_IB_HOME=/usr/local/ofed
export PREFIX=/apps/mvapich2/0.9.8-gridstack-4.1.5
./make.mvapich[2].gen2

Short Course “Lattice Boltzmann” at ParCFD2007 and ICMMES2007

During ParCFD2007 there was a short course on lattice Boltzmann methods. The slides are made available on the tutorials web page of Parallel CFD 2007. Please come back and check for updates as some parts are still missing.

The next lattice Boltzmann short course will take place at the beginning of ICMMES 2007 taking place in Munich from June 16-20.

At both conferences, RRZE is in charge of the HPC aspects of implementing lattice Boltzmann methods.

some notes on using Intel Trace Collector (ITC/ITA)

some notes on using Intel Trace Collector (ITC/ITA)

Preliminary note: these are just some “random” notes for myself …

  • Intel 10.0 (beta) compilers introduced -tcollect switch
    • inserts instrumentation probes calling the ITC API, i.e. shows functions names instead of just “user code” in the trace
    • has to be used for compilation and linking
    • not sure yet if ITV libraries have to be specified during linking – but probably one wants to add “$ITC_LIB” (defined by RRZE) anyway
    • works fine (at least in initial tests)
  • source code locations are not inclides in the trace file by default; compile with -g and set VT_PCTRACE to some value (either ON or the call level to be recorded (with optional skip levels); see ITC-RefGuide Sec. 3.8, p. 19/20 and 95
  • OS counters can be recorded; VT_COUNTER variable has to be set accordingly; see ITC-RefGuide Sec. 3.10, p. 22
  • VT_LOGFILE_NAME can be used to specify the name of the tracefile
  • to change colors, one has to the “all functions” item as the color toggle is deactivated in the default “generated groups/major functions” item
  • unfortunately, I did not yet find a “redraw” button – and chaning the colors only redisplays the current chart automatically

mpiexec + taskset: code snippet to generate config file

mpiexec + taskset: code snippet to generate config file

We usually use Pete Wyckoff’s mpiexec to start MPI processes from within batch jobs. The following code snippet may be used to pin individual MPI processes to their CPU. A similar snippet could be used to allow round-robin distribution of the MPI processes …

[shell]
#!/bin/bash
# usage: run.sh 8 “0 2 4 6” ./a.out “-b -c”
# start a.out with arguments -b -c
# use 4 MPI processes
# pin processes to CPUs 0,2,4,6

NUMPROC=$1
TASKCPUS=”$2″
EXE=$3
ARGS=$4

TASKS=`echo $TASKCPUS | wc -w`
echo “running $NUMPROC MPI processes with $TASKS per node”

cat /dev/null > cfg.$PBS_JOBID
for node in `uniq $PBS_NODEFILE`; do
for cpu in $TASKCPUS; do
echo “$node : taskset -c $cpu $EXE $ARGS” >> cfg.$PBS_JOBID
NUMPROC=$((NUMPROC – 1))
if [ $NUMPROC -eq 0 ]; then
break 2
fi
done
done
mpiexec -comm pmi -kill -config cfg.$PBS_JOBID
[/shell]