Skip to content
Snippets Groups Projects
Verified Commit ab721980 authored by Jakub Kropáček's avatar Jakub Kropáček Committed by Jakub Kropáček
Browse files

update vasp docs to reflect reality

parent 8098d05d
No related branches found
Tags
No related merge requests found
Pipeline #28061 passed with warnings
Stage: test
Stage: build
Stage: deploy
Stage: after_test
Hide whitespace changes
Inline Side-by-side
docs.it4i/software/chemistry/vasp.md
+ 4
− 4
View file @ ab721980
...@@ -28,16 +28,16 @@ mpirun vasp_std ...@@ -28,16 +28,16 @@ mpirun vasp_std
### VASP Compilations ### VASP Compilations
!!! important !!! note
Starting from version 6.3.1, we compile VASP with HDF5 and Wannier90 support. Starting from version 6.3.1, we compile VASP with HDF5 support.
VASP can be ran using several different binaries, each being compiled for a specific purpose, for example: VASP can be ran using several different binaries, each being compiled for a specific purpose, for example:
* `vasp_std` is the standard VASP binary for regular jobs * `vasp_std` is the standard VASP binary for regular jobs
* `vasp_ncl` must be used when running non-collinear (spin-orbit coupling) jobs * `vasp_ncl` must be used when running non-collinear (spin-orbit coupling) jobs
* `vasp_gam` is optimized for calculations at the Gamma point * `vasp_gam` is optimized for calculations at the Gamma point
* `vasp_gpu_std` is a compilation for GPU calculations
* `vasp_gpu_ncl` has to be used when running a non-collinear job on GPU GPU-enabled modules are denoted by their CUDA version's suffix.
## Tutorials and Examples ## Tutorials and Examples
......
0% or .
You are about to add 0 people to the discussion. Proceed with caution.
Please register or to comment