Difference between revisions of "Feram"

Revision as of 14:30, 29 June 2016

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
RRA account holders
SC account holders

Platforms

CIRCE cluster
RRA cluster
SC cluster

Modules

Feram requires the following module file to run:

apps/feram/0.19.06

See Modules for more information.

Running feram Jobs 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!

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. For help on submitting jobs to the queue, see our SLURM User’s Guide. Scripts are provided as examples only. Your SLURM executables, tools, and options will vary.

#!/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

feram Home Page:
- http://loto.sourceforge.net/feram/#LABEL-3

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

@@ Line 3: / Line 3: @@
 ''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.”
-* [http://loto.sourceforge.net/feram/ feram Home Page]
+{{AppStandardHeader|0.19.06|feram}}
-== Version ==
-*0.19.06
-{{AuthorizedUsers}}
-{{Platforms}}
 == Running feram Jobs on CIRCE ==
-=== [[Modules]] ===
+{{PleaseReadUserGuide}}
-Before running a job, you must first set up your environment properly. Here are the required module files:
-*apps/feram/0.19.06
-To run feram on the cluster, ensure that you use <code>module add</code> prior to using any executables. See [[Modules]] for more information.
 === Distributed Parallel ===
@@ Line 53: / Line 39: @@
 *You can view the status of your job with the “squeue -u <username>” command
-== Additional Documentation ==
+{{Documentation}}
-*About feram:
+* feram Home Page:
-** [http://loto.sourceforge.net/feram/#LABEL-3 http://loto.sourceforge.net/feram/#LABEL-3]
+**http://loto.sourceforge.net/feram/#LABEL-3
 {{MoreInformation}}
 {{ReportingBugs}}