How to use UppASD¶
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Software
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Version
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Cluster
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|---|---|---|
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UppASD
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6.0.2
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Dardel
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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/23.12
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 -N 1 # Number of nodes
#SBATCH -n 1 # Number of tasks
#SBATCH -c 16 # Number of cpus per task
ml PDC/23.12
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. This allows for:
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Visualization of outputs via VTK.
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Plotting of several quantities via integrated Matplotlib functionalities.
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Automatic generation of input files for UppASD.
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.
Disclaimer¶
PDC takes no responsibility for the correctness of results produced with the binaries. Always evaluate the binaries against known results for the systems and properties you are investigating before using the binaries for production jobs.