From the feram website: feram (Ferroelectrics and Relaxor Analysing Machine) is a fast molecular dynamics (MD) simulator for bulk and thin-film ferroelectrics and relaxors.
Feram requires the following module file to run:
- See Modules for more information.
Running Feram on CIRCE
The Feram user guide is essential to understanding the application and making the most of it. The guide and this page should help you to get started with your simulations. Please refer to the Documentation section for a link to the guide.
- Note on CIRCE: Make sure to run your jobs from your $WORK directory!
- Note: Scripts are provided as examples only. Your SLURM executables, tools, and options may vary from the example below. For help on submitting jobs to the queue, see our SLURM User’s Guide.
If, for example, you have a feram input file named feram.in, you would create a submit script like this:
- The script below (for testing, name it “feram-test.sh”) can be copied into your job directory (the folder with your input files) and modified so that you can submit batch processes to the queue.
#!/bin/bash # #SBATCH --comment=feram-test #SBATCH --ntasks=8 #SBATCH --job-name=feram-test #SBATCH --output=output.%j.feram-test #SBATCH --time=01:00:00 #### SLURM 8 processor feram test to run for 1 hour. module purge module load apps/feram/0.19.06 mpirun feram_mpi feram.in
Next, you can change to your job’s directory, and run the sbatch command to submit the job:
cd my/job/directory sbatch ./feram-test.sh
- You can view the status of your job with the “squeue -u <username>” command
Home Page, User Guides, and Manuals
- feram Home Page:
More Job Information
See the following for more detailed job submission information:
Report bugs with Feram to the IT Help Desk: email@example.com