Uppasd

Installed versions

Resource	Version
Dardel/cpe23.12	6.0.2
Dardel/cpe23.03	6.0.2

General information

The Uppsala Atomistic Spin Dynamics (UppASD) software package is a simulation suite to study magnetization dynamics by means of the atomistic version of the Landau-Lifshitz-Gilbert (LLG) equation. For more information see https://github.com/UppASD/UppASD.

How to use

The UppASD files can be accessed by loading the appropriate modules. To see which versions of UppASD are available use the command

ml avail uppasd
ml spider uppasd

To load the 6.0.2 version of the program

ml PDC/<version>
ml uppasd/6.0.2-cpeGNU-23.12

The binary is sd Examples are provided in $EBROOTUPPASD/examples The code is documented in the UppASD manual and in technical notes in the directory $UPPASD_DOCS. A tutorial with examples and exercises on atomistic spin-dynamics are contained in the UppASD tutorial.

Running on the batch system

Sample job script to queue an UppASD job with 16 openMP threads on cores on the shared partition of Dardel

#!/bin/bash
#SBATCH -A <project name>     # Set the allocation to be charged for this job
#SBATCH -J myjob              # The name of the script is myjob
#SBATCH -t 02:00:00           # 2 hours wall-clock time
#SBATCH -p shared             # The partition
#SBATCH -c 16                 # Number of cpus per task

ml PDC/<version>
ml uppasd/6.0.2-cpeGNU-23.12

export OMP_NUM_THREADS=16

echo "Script initiated at `date` on `hostname`"

sd > out.log

echo "Script finished at `date` on `hostname`"

For information on how to submit jobs on Dardel, see Queueing jobs.

User Graphic Interface

A Python based QT GUI for the code is available at $EBROOTUPPASD/ASD_GUI.

Features

Visualization of outputs via VTK.
Plotting of several quantities via integrated Matplotlib functionalities.
Automatic generation of input files for UppASD.

The output from UppASD simulations are supported by the SpinView interactive visual analysis tool for multi-scale computational magnetism.

Tools for preprocessing and postprocessing

A collection of scripts for preprocessing and postprocessing of UppASD input and output files can be found in $EBROOTUPPASD/ASD_Tools.

How to build UppASD

The program was installed using EasyBuild. A build in your local file space can be done with

ml PDC/23.12
ml easybuild-user/4.9.1
eb uppasd-6.0.2-cpeGNU-23.12.eb --robot

User area

PDC Center for High Performance Computing