From ab721980c59c843b4ad843bd04b6bb966498a6f6 Mon Sep 17 00:00:00 2001 From: Jakub Kropacek <jakub.kropacek@vsb.cz> Date: Mon, 5 Sep 2022 20:08:22 +0200 Subject: [PATCH] update vasp docs to reflect reality --- docs.it4i/software/chemistry/vasp.md | 8 ++++---- 1 file changed, 4 insertions(+), 4 deletions(-) diff --git a/docs.it4i/software/chemistry/vasp.md b/docs.it4i/software/chemistry/vasp.md index 096d12651..08980d2a2 100644 --- a/docs.it4i/software/chemistry/vasp.md +++ b/docs.it4i/software/chemistry/vasp.md @@ -28,16 +28,16 @@ mpirun vasp_std ### VASP Compilations -!!! important - Starting from version 6.3.1, we compile VASP with HDF5 and Wannier90 support. +!!! note + 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_std` is the standard VASP binary for regular 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_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 -- GitLab