第一原理分子動力学プログラム STATE Senri Wiki

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* Installation [#qb020d65]
In this document, how to build ABINIT version 9.6.2 is described.
I use sb100@Morikawa group as a platform.

** Prep [#i622a806]
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 [#nc1d04d8]

*** HDF5 [#m9c79f5a]

*** libxc [#a07b8f01]
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 [#c13266d9]

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