Setting up Atomsk on smith

In this tutorial, Atomsk is supposed to be installed into the local directory of user, say ~/usr/local.

First, create a directory in which Atomsk is installed:

 $ mkdir -p ~/local/src

and go to the source directory

 $ cd ~/local/src

Then copy the source code by executing

 $ git clone

or (for a revised version)

 $ git clone

Go to the source directory

 $ cd atomsk/src

Edit makefile.ifort and add the following lines anywhere after "export"


Then type

 $ make -f Makefile.ifort atomsk


 $ make -f Makefile.ifort install

Finally add the command search path in ~/.bashrc as


and type

 $ source ~/.bashrc

If you type

 $ which atomsk

and get


you are all set!

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Last-modified: 2020-05-31 (日) 16:22:41 (151d)