Running Abinit

This page describes how to build and run Abinit on Zen.

How to build Abinit

These instructions apply to version 5.8.4.

First you will need to set up a configuration file for the Abinit build system. Copy doc/config/build-config.ac to the abinit directory and call the new file service0.ac (for compiling on the zen log in node) or service2.ac (for compiling on the zen-viz node).

To build a serial version you only need to change three lines in the configuration file which specify the C, C++ and Fortran compilers. These lines should be changed to

CC="icc"

CXX="icc"

FC="ifort"

To build an MPI version you will also need

enable_mpi="yes"

with_mpi_prefix="/sw/sdev/impi/3.1"

assuming you are using Intel MPI v3.1. You may also need to specify the location of the C compiler by setting the environment variable I_MPI_CC=icc.

-- DavidAcreman - 29 Sep 2009

This topic: Zen > WebHome > ApplicationsOnZen > RunningAbinit
History: r2 - 31 Aug 2011 - 16:55:24 - DavidAcreman
 
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