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`" }}}