Version 6 (modified by mmamonski, 12 years ago) (diff) |
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The QCG-Computing service allows to map abstract application name to the absoluth path of the wrapper script. The mapping file is stored in file:
/opt/plgrid/qcg/etc/qcg-comp/application_mapfile
The file has the following syntax:
APPLICATION-NAME VERSION SCRIPT-PATH
where VERSION can be an asterix (*) which means "any version". There is no need to restart the qcg-compd service after updating the file. Example application_mapfile file:
MATLAB * /opt/exp_soft/plgrid/qcg-app-scripts/app-scripts/matlab.qcg NAMD * /opt/exp_soft/plgrid/qcg-app-scripts/app-scripts/namd.qcg bash * /opt/exp_soft/plgrid/qcg-app-scripts/app-scripts/bash.qcg R * /opt/exp_soft/plgrid/qcg-app-scripts/app-scripts/R.qcg CFX * /opt/exp_soft/plgrid/qcg-app-scripts/app-scripts/cfx.qcg fluent * /opt/exp_soft/plgrid/qcg-app-scripts/app-scripts/fluent.qcg nwchem * /opt/exp_soft/plgrid/qcg-app-scripts/app-scripts/nwchem.qcg g09 * /opt/exp_soft/plgrid/qcg-app-scripts/app-scripts/g09.qcg qcg-ompi * /opt/exp_soft/plgrid/qcg-app-scripts/app-scripts/qcg-openmpi/qcg-openmpi.qcg
The example scripts can be checkouted from our svn:
svn co https://www.qoscosgrid.org/svn/qcg-computing/trunk/app-scripts
Please put the dir under location that is available from all worker nodes (e.g. /opt/exp_soft/plgrid/qcg-app-scripts/). Every script sources in the beginning its own, site specific, configuration file (e.g. matlab.qcg sources matlab.conf) which is responsible for initializing application environment (e.g. loading environment module, setting PATH). In the next sections we will shortly describe what should be provide in such file for every supported application.
bash.qcg
This application needs no configuration as it is assumed that bash binary cane be always found in /bin directory.
matlab.qcg
In matlab.conf simply load matlab module:
module load matlab/current
Or set the PATH variable:
export PATH=$PATH:/opt/exp_soft/matlab/bin/
namd.qcg
In namd.conf load the NAMD module
module load namd/current
Additionally if namd2 must be started using different command than mpiexec you can provide additional configuration variables:
MPIEXEC=charmrun MPIEXEC_ARGS="++verbose ++local +p`cat $QCG_NODEFILE | wc -l`"