Feram

Description

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.

Version

  • 0.19.06

Authorized Users

  • CIRCE account holders
  • SC account holders

Platforms

  • CIRCE cluster
  • SC cluster

Modules

Feram requires the following module file to run:

  • apps/feram/0.19.06

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.

Distributed Parallel

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

Documentation

Home Page, User Guides, and Manuals

More Job Information

See the following for more detailed job submission information:

Reporting Bugs

Report bugs with Feram to the IT Help Desk: rc-help@usf.edu