COMSOL
The COMSOL general-purpose engineering application is installed in both the Niagara and CC software stacks.
Getting a license
Licenses are provided by COMSOL. As commercial software you will require a license to use this package.
Running using the Niagara installation
COMSOL 5.3.1.275
In the Niagara software stack, commercial modules can only be accessed using the 'module use' command.
module use NiaEnv/2019b module use /scinet/niagara/software/commercial/modules module load comsol/5.3.1.275
The same must be done to see these packages using module spider
.
COMSOL 5.5
module use NiaEnv/2019b module use /scinet/niagara/software/commercial/modules module load comsol/5.5
COMSOL 5.6
module use NiaEnv/2019b module use /scinet/niagara/software/commercial/modules module load comsol/5.6
Setting up your .comsol directory
COMSOL will attempt to write to your $HOME/.comsol directory. This will work when you are testing your workflow on the login nodes, because they can write to $HOME. However, recall that the compute nodes cannot write to the /home filesystem. If you attempt to run COMSOL from a compute node using the default configuration, it will fail because COMSOL cannot write to $HOME/.comsol.
The solution is to create an alternative directory called $SCRATCH/.comsol, and create a soft link from $HOME/.comsol to $SCRATCH/.comsol:
mkdir $SCRATCH/.comsol ln -sT $SCRATCH/.comsol $HOME/.comsol
This will fool COMSOL into thinking it is writing to $HOME/.comsol, when in fact it is writing to $SCRATCH/.comsol. This command only needs to be run once.
Running COMSOL
Example submission script for a job running on 1 node, with max walltime of 11 hours:
#!/bin/bash #SBATCH --nodes=1 #SBATCH --ntasks-per-node=1 #SBATCH --cpus-per-task=40 #SBATCH --time=11:00:00 #SBATCH --job-name test module use /scinet/niagara/software/commercial/modules module load comsol/5.3.1.275 # DIRECTORY TO RUN - $SLURM_SUBMIT_DIR is directory job was submitted from cd $SLURM_SUBMIT_DIR NCORE=$((SLURM_NTASKS * SLURM_CPUS_PER_TASK)) comsol batch -np $NCORE -inputfile myinputfile.mph -outputfile myoutputfile.mph
Running using the CC installation
COMSOL 5.3.1.275
To access the CC software stack you must unload the Niagara stack.
module load CCEnv module load comsol/5.3.1.275
You can run the script given in the previous section by substituting the previous module commands with the above two.