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r1 - 29 Sep 2009 - 08:55:22 - DavidAcremanYou are here: Astrophysics Wiki >  Zen Web  > RunningAbinit

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

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