第一原理分子動力学プログラム STATE Senri Wiki

Installation †

In this document, how to build ABINIT version 9.6.2 is described. I use sb100@Morikawa group as a platform.

Prep †

Let us first create a directory for the libraries in the home directory as

 $ mkdir -p local/src

and that for ABINIT as

 $ mkdir -p ABINIT/src

Installtion of necessary libraries †

HDF5 †

libxc †

First obtain the source code using wget as

 $ wget http://www.tddft.org/programs/libxc/down.php?file=5.2.3/libxc-5.2.3.tar.gz -O libxc-5.2.3.tar.gz

If there is a problem try this:

 $ wget --no-check-certificate http://www.tddft.org/programs/libxc/down.php?file=5.2.3/libxc-5.2.3.tar.gz -O libxc-5.2.3.tar.gz

Extract ``libxc-5.2.3``, change directory, and type the following:

 $ ./configure CC=icc CFLAGS="-O2 -fPIC" --enable-shared --prefix=${HOME}/local

Build of ABINIT †

Then download the ABINIT source file in the ``ABINIT/src`` directory:

 $ wget https://www.abinit.org/sites/default/files/packages/abinit-9.6.2.tar.gz

and expand it:

 $ tar zxf abinit-9.6.2.tar.gz