Wednesday, 20 January 2021

How to install openMPI?

 For VASP as well as most of the other codes, openMP is highly useful for paralellization. Hwo to compile this openMP library (as a user)?

Follow these steps:

Download the openmpi-1.10.3 package (openmpi-1.10.3.tar.gz)

Unzip using:

tar -xzvf openmpi-1.10.3.tar.gz

Now, do the folowing:

./configure --prefix=/full/path/to/the/directory/where/you/want/to/put/this/into.

This path is usually the current directory. In this case give /home/username/full-path/to/current/directory.

Now, run:

make all install



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