I assume you are having an account in a linux/unix based cluster workstation/supercomputer. All you need to do is to follow-up the...

An installation of vasp in a massively parallel linux machine (and/or cluster) is a bit tricky. If the MKL and OpenMPi library files are...

A list of commands for general use in linux can be found from the following link: http://www.tecmint.com/how-to-check-disk-space-in-linux...

Node info pbsnodes -a # show status of all nodes pbsnodes -a <node> # show status of specified node pbsnodes -l # list inactive nodes...

Please use any of these two following links for the aforesaid purpose: Option1 Option2

To Exploring Potential Energy Surfaces with Gaussian and GaussView, the Following Links might be Useful: http://www.gaussian.com/g_misc/m...

Installation of Siesta (MPI Version) I covered the following steps to install Siesta in a large CLUSTER. It is composed of several...