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Difference between revisions of "Sigma2 Oslo 2019"

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(Tutorials)
(Environment Setup)
 
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*[http://www.vasp.at/vasp-workshop/lectures/VASP_lecture_HPC.pdf Performance]: "VASP: running on HPC resources".
 
*[http://www.vasp.at/vasp-workshop/lectures/VASP_lecture_HPC.pdf Performance]: "VASP: running on HPC resources".
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== Environment Setup ==
 +
After login, open a Terminal and enter following command
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source ~/data/bin/setup_environments.sh
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The job scripts found in the tutorial files (job.sh, doall.sh, etc) work only if the environment variables "vasp_std, vasp_gam, vasp_ncl" are defined. This is done via
 +
export vasp_std="mpirun -np 2 /home/notebook/data/bin/vasp_std"
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export vasp_gam="mpirun -np 2 /home/notebook/data/bin/vasp_gam"
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export vasp_ncl="mpirun -np 2 /home/notebook/data/bin/vasp_ncl"
  
 
== Tutorials ==
 
== Tutorials ==

Latest revision as of 14:46, 23 September 2019

Lectures

  • Dielectric properties: "VASP: Dielectric response. Perturbation theory, linear response, and finite electric fields".

Environment Setup

After login, open a Terminal and enter following command

source ~/data/bin/setup_environments.sh 

The job scripts found in the tutorial files (job.sh, doall.sh, etc) work only if the environment variables "vasp_std, vasp_gam, vasp_ncl" are defined. This is done via

export vasp_std="mpirun -np 2 /home/notebook/data/bin/vasp_std"
export vasp_gam="mpirun -np 2 /home/notebook/data/bin/vasp_gam"
export vasp_ncl="mpirun -np 2 /home/notebook/data/bin/vasp_ncl"

Tutorials

For the beginners: A short introduction to the common Input and Output files.

Further Examples

Nudge Elastic Band Method and (constrained) Molecular Dynamics

Magnetism in NiO

NMR calculations