Computer Lab: Difference between revisions
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*[https://thisisntnathan.github.io/dftCourse/ShortCourse/linuxBasics.html Essential Linux commands] | *[https://thisisntnathan.github.io/dftCourse/ShortCourse/linuxBasics.html Essential Linux commands] | ||
*[https://wiki.physics.udel.edu/wiki_cmpb/images/6/67/LinuxIntro_2024.pdf Hands-on Linux Introduction] | *[https://wiki.physics.udel.edu/wiki_cmpb/images/6/67/LinuxIntro_2024.pdf Hands-on Linux Introduction] | ||
*How to submit parallel jobs | *How to submit parallel jobs over 16 cores of keldysh: | ||
<pre> | <pre> | ||
mpirun | mpirun -np 12 openmx material.in > material.out | ||
</pre> | </pre> | ||
Revision as of 21:43, 16 August 2024
Basic Unix
- Essential Linux commands
- Hands-on Linux Introduction
- How to submit parallel jobs over 16 cores of keldysh:
mpirun -np 12 openmx material.in > material.out
VASP input files
- Hands-on H2O relaxation using VASP
- Hands-on H2O vibration using VASP
- Band structure of graphene
- Band structure of NiO
