ISV Usage

This wiki page guides you on how to use ISV codes on our systems.

HAWK

Please check beforehand via Application_software_packages, if you are allowed to use the installed ISV packages.

ANSYS

Please check via module environment (Module_environment(Hawk)), which versions are currently available. Typical batch submission script examples are given below.

CFX

On HAWK we currently provide two methods to run CFX in parallel. One can choose between two methods:

1. -start-method "HMPT MPI Distributed Parallel" is utilising HMPT. For more details please see MPI(Hawk)
2. -start-method "Open MPIHAWK Distributed Parallel" uses a recent OpenMPI version.

A typical batch script could look like this:

#!/bin/bash
###asking for 2 nodes for 20 minutes
#PBS -l select=2:mpiprocs=128
#PBS -l walltime=00:20:00
#PBS -N nameOfJob
#PBS -k eod

###load module
module load ansys/19.5

###change to the current working directory
cd $PBS_O_WORKDIR

###save machine list in file:
cat $PBS_NODEFILE > machines

cpu_id=` cat machines`
cpu_id=` echo $cpu_id | tr -t [:blank:] [,]`
###no we have comma seperated machine file list

###num processes
num_cpu=`cat machines | wc -l`

###starting cfx with HMPT:
cfx5solve -batch -def mydef.def -ccl myccl.ccl -parallel -par-dist $cpu_id -part ${num_cpu} -solver-double -start-method "HMPT MPI Distributed Parallel" > log 2>&1

FLUENT

For FLUENT we support a recent OPENMPI installation, which can be activated via -mpi=openmpi. A typical batch script could look like this:

#!/bin/bash
###asking for 2 nodes for 20 minutes
#PBS -l select=2:mpiprocs=128
#PBS -l walltime=00:20:00
#PBS -N nameOfJob
#PBS -k eod

###load module
module load ansys/21.1

###change to the current working directory
cd $PBS_O_WORKDIR

###save machine list in file:
cat $PBS_NODEFILE > machines_orig
cat machines_orig | cut -d "." -f1 > machines

MPIPROCSPERNODE=128
awk -v NUM=$MPIPROCSPERNODE 'NR % NUM == 0' machines > machineslots


###num processes
NUMPROCS=`cat machines | wc -l`

###path to definition file
TXT=$PBS_O_WORKDIR/fluent-input.txt

###starting fluent with OpenMPI:
fluent 3ddp -mpi=openmpi -t${NUMPROCS} -cnf=machineslots -pib.ofed -g -i $TXT > log 2>&1

ANSYS Mechanical

#!/bin/bash
# similar to "qgen -n 1 ansys_mapdl -i wing.dat -o wing_output"
#PBS -l select=1
#
#PBS -l walltime=00:05:00
#PBS -N ansys_mapdl
#PBS -k eod

echo "[`date +%Y-%m-%dT%H:%M:%S`] starting Job ${PBS_JOBID%%.*}"

module load cae
module load ansys/23.2
module load ansys/lic/academic  #lic only for academic usage!

cd ${PBS_O_WORKDIR}
cp ${AWP_ROOT}/ansys/site/ansys/mapdl/core/examples/wing.dat .   # copy some example input

mapdl -b -i wing.dat -o wing_output

echo "[`date +%Y-%m-%dT%H:%M:%S`] finishing Job ${PBS_JOBID%%.*}"

also see qgen usage examples

LS-Dyna

(This section moved here since LSTC was acquired by ANSYS)

see qgen usage examples

SIEMENS

Please check via module environment (Module_environment(Hawk)), which versions are currently available for STAR-CCM+. A typical batch submission script example is given below.

STAR-CCM+

On HAWK we currently provide two methods to run STAR-CCM+ in parallel. One can choose between two methods:

1. -mpidriver hpe is utilising MPT. For more details please see MPI(Hawk)
2. -mpidriver openmpi uses a recent OpenMPI version.

A typical batch script could look like this:

#!/bin/bash
################start test
#PBS -l select=2:mpiprocs=128
#PBS -l walltime=01:00:00
#PBS -N nameofjob
#PBS -k oed

#module for academic usage only
module load siemens/lic/academic
module load siemens/starccm/14.06.012-r8

cd $PBS_O_WORKDIR

np=$[ `wc -l <${PBS_NODEFILE}` ]

starccm+ -batch run -np ${np} -noconnect -mpidriver hpe -batchsystem pbs mysimfile@meshed.sim >&outputrun.txt
# or ... -mpidriver openmpi ...

STAR-CCM+ - Connecting local client with server

In order to perform a connection between a local client and the STAR-CCM+ server on the compute node, please do the following: Job submission skript has to be changed using the BPORT option and the portrange, e.g.:

#!/bin/bash
################start test with BPORT true
#PBS -l select=2:mpiprocs=128:BPORT=true
#PBS -l walltime=01:00:00
#PBS -N nameofjob
#PBS -k oed

#module for academic usage only
module load siemens/lic/academic
module load siemens/starccm/14.06.012-r8

cd $PBS_O_WORKDIR

np=$[ `wc -l <${PBS_NODEFILE}` ]
###save machine list in file:
cat $PBS_NODEFILE > machines

#starccm+ job with port definition:
starccm+ -batch run -np ${np} -portrange 47827-47827 -mpidriver hpe -batchsystem pbs mysimfile@meshed.sim >&outputrun.txt
# or ... -mpidriver openmpi ...

If job starts, one can establish a tunnel to the master node, which is the first node in the $PBS_NODEFILE, stored in the file machines via skript. For this, open a terminal on your local machine and do the following:

ssh -J <yourusernameathlrs>@hawk.hww.hlrs.de -o HostKeyAlias=hawk.hww.hlrs.de -N -L localhost:10001:127.0.0.1:47827 <yourusernameathlrs>@<firstnode>

with <firstnode> e.g. r38c4t5n2, and with <yourusernameathlrs> which is your username at HLRS.

VULCAN

Please check beforehand via Application_software_packages, if you are allowed to use the installed ISV packages.

ANSYS

Please check via module environment module avail, which versions are currently available. Typical batch submission script examples are given below.

CFX

On VULCAN you can choose between different parallel run options. One can choose between the following methods:

1. -start-method "Intel MPI Distributed Parallel"
2. -start-method "Open MPI Distributed Parallel" uses an OpenMPI version brought by ANSYS installation folder.

A typical batch script could look like this:

#!/bin/bash
### skylake example using 4 nodes with each: 40cores and 192gb of ram:
#PBS -l select=4:node_type=skl:node_type_mem=192gb:node_type_core=40c:mpiprocs=40,walltime=01:00:00
#PBS -N myjobname
#PBS -k eod

# load module
module load ansys/22.1
#lic only for academic usage:
module load ansys/lic/academic

# change into the specific working directory
cd $PBS_O_WORKDIR

cat $PBS_NODEFILE > machines
cpu_id=` cat machines`
cpu_id=` echo $cpu_id | tr -t [:blank:] [,]`
#no we have comma seperated machine file list e.g. (n092902,n092902,n092902,n092902,n092902,n092902,n092902,n092902,n092902,n092902,n092902,...)

# starting cfx5solve:
cfx5solve -def my.def -batch -par -par-dist $cpu_id -start-method "Intel MPI Distributed Parallel"

FLUENT

For FLUENT one can use the mpi-auto-select option, which can be activated via -pmpi-auto-selected. A typical batch script could look like this:

#!/bin/bash
# skylake, 2 nodes with each: 192gb ram and 40 cores, allowing 40 mpiprocs per node
#PBS -l select=2:node_type=skl:node_type_mem=192gb:node_type_core=40c:mpiprocs=40,walltime=00:10:00
#PBS -N myjobname
#PBS -k eod

# load module
module load ansys/22.1
#lic only for academic usage:
module load ansys/lic/academic

# change into the specific working directory 
cd $PBS_O_WORKDIR

# my def file
DEF=$PBS_O_WORKDIR/myfile.in

# my machines
cat $PBS_NODEFILE > machines
np=$[ `wc -l <${PBS_NODEFILE}` ]

fluent 3ddp -pmpi-auto-selected -t${np} -pinfiniband -cnf=machines -g < $DEF > mylog 

ANSYS mechanical

#!/bin/bash
# similar to "qgen -n 1:nodetype=genoa ansys_mapdl -i wing.dat -o wing_output" (uncomment cp)
#PBS -l select=1:nodetype=genoa
#
#PBS -l walltime=00:05:00
#PBS -N ansys_mapdl
#PBS -k eod

echo "[`date +%Y-%m-%dT%H:%M:%S`] starting Job ${PBS_JOBID%%.*}"

module load cae
module load ansys/23.2
module load ansys/lic/academic  #lic only for academic usage!

cd ${PBS_O_WORKDIR}
cp ${AWP_ROOT}/ansys/site/ansys/mapdl/core/examples/wing.dat .   # copy input data

mapdl -b -i wing.dat -o wing_output

echo "[`date +%Y-%m-%dT%H:%M:%S`] finishing Job ${PBS_JOBID%%.*}"

also see qgen usage examples

LS-Dyna

(This section moved here since LSTC was acquired by ANSYS)

see qgen usage examples

SIEMENS

Please check via module environment module avail, which versions are currently available for STAR-CCM+. A typical batch submission script example is given below.

STAR-CCM+

On VULCAN we provide the known standard methods to run STAR-CCM+ in parallel. One can choose between three methods depending on loaded STAR-CCM+ version:

1. -mpi platform
2. -mpi intel
3. -mpi openmpi

A typical batch script could look like this:

#!/bin/bash
### 2 haswell nodes with each: 128gb ram and 24cores allowing 24 mpiprocs per node
#PBS -l select=2:node_type=hsw:node_type_mem=128gb:node_type_core=24c:mpiprocs=24,walltime=00:25:00
#PBS -N myjobname
#PBS -k eod

#lic only for academic usage:
module load siemens/lic/academic
#module
module load siemens/starccm/17.04.007-r8

# change into the specific working directory
cd $PBS_O_WORKDIR

# get num procs
np=$[ `wc -l <${PBS_NODEFILE}` ]

starccm+ -batch macro.java -np ${np} -noconnect -mpidriver platform -batchsystem pbs mysimfile.sim > mylog 2>&1
### or skip option -mpidriver platform, then starccm+ chooses the default setting

STAR-CCM+ - Connecting local client with server

In order to perform a connection between a local client and the STAR-CCM+ server on the compute node, please do the following: Job submission skript has to be changed using the BPORT option and the portrange, e.g.:

#!/bin/bash
### 2 haswell nodes with each: 128gb ram and 24cores allowing 24 mpiprocs per node, with BPORT=true
#PBS -l select=2:node_type=hsw:node_type_mem=128gb:node_type_core=24c:mpiprocs=24:BPORT=true,walltime=00:25:00
#PBS -N myjobname
#PBS -k eod

#lic only for academic usage:
module load siemens/lic/academic
#module
module load siemens/starccm/17.04.007-r8

# change into the specific working directory
cd $PBS_O_WORKDIR

###save machine list in file:
cat $PBS_NODEFILE > machines

# get num procs
np=$[ `wc -l <${PBS_NODEFILE}` ]

starccm+ -batch macro.java -np ${np} -portrange 47827-47827 -mpidriver platform -batchsystem pbs mysimfile.sim > mylog 2>&1
### or skip option -mpidriver platform, then starccm+ chooses the default setting

If job starts, one can establish a tunnel to the master node, which is the first node in the $PBS_NODEFILE, stored in the file machines via skript. For this, open a terminal on your local machine and do the following:

ssh -J <yourusernameathlrs>@vulcan.hww.hlrs.de -o HostKeyAlias=vulcan.hww.hlrs.de -N -L localhost:10001:127.0.0.1:47827 <yourusernameathlrs>@<firstnode>

with <firstnode> e.g. n122202, and with <yourusernameathlrs> which is your username at HLRS.