What is the difference between parallel version and Gamma point only version in VASP. How does check any installed VASP is parallel version or Gamma point only version.
I need VASP compilation with VTST tools for ssNEB calculation.
Shilendra
You are asking a question about incommensurable quantities (well, qualities actually). Parallelism has nothing to do with whether you have the gamma point or not. The flag
-DMPI
will give you a parallel version. This is usually combined with
-DNGZhalf
gives you the "normal" parallel version. If you want the gamma point version, you also add the flag
-DwNGZhalf
A serial version (i.e. one without -DMPI) would instead of NGZhalf and wNGZhalf have NGXhalf and wNGXhalf. (If you find this nomenclature obscure, unhelpful and confusing, you are 100% right. And in good company.)
To check an installed version, look at the top of an OUTCAR file produced by the code. If you are lucky, there is a header that gives you information about what sort of version you are running, but this depends to some extent to the compiler (=the person responsible for the compliation).
As for the VTST tools, you have to just follow their instructions for including it into the source code. There is a step-by-step description that you can follow to the letter without having any clue of what you are doing. Follow them carefully (especially if you don't know what you are doing).
Thank You Dear Dr. Torbjörn Björkman, for your help and support. Now I have cleared many things regarding installation. I will try to install VASP with VTST tools.
Shilendra
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