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fftw

About

FFTW (Fastest Fourier Transform in the West) is a C subroutine library for computing the discrete Fourier transform (DFT) in one or more dimensions, of arbitrary input size, and of both real and complex data (as well as of even/odd data, i.e. the discrete cosine/sine transforms or DCT/DST).

Version and Availability

Softenv Keys for fftw on painter
Machine Version Softenv Key
▶ Display Softenv Keys for fftw on all clusters
Machine Version Softenv Key
eric 2.1.5 +fftw-2.1.5-intel-11.1
eric 2.1.5 +fftw-2.1.5-intel-11.1-mvapich-1.1
eric 2.1.5 +fftw-2.1.5-intel-11.1-mvapich2-1.4
eric 3.2 +fftw-3.2-intel-11.1
eric 3.2 +fftw-3.2-intel-11.1-mvapich-1.1
eric 3.2 +fftw-3.2-intel-11.1-mvapich2-1.4
philip 2.1.5 +fftw-2.1.5-intel-11.1
philip 2.1.5 +fftw-2.1.5-intel-11.1-mpich-1.2.7p1
philip 3.2 +fftw-3.2-intel-11.1-mpich-1.2.7p1
pandora 2.1.5 +fftw-2.1.5
pandora 3.2.2 +fftw-3.2.2
supermike2 3.3.2 +fftw-3.3.2-Intel-13.0.0
supermike2 3.3.3 +fftw-3.3.3-Intel-13.0.0
supermike2 3.3.3 +fftw-3.3.3-Intel-13.0.0-openmpi-1.6.2
▶ Softenv FAQ?

The information here is applicable to LSU HPC and LONI systems.

Shells

A user may choose between using /bin/bash and /bin/tcsh. Details about each shell follows.

/bin/bash

System resource file: /etc/profile

When one access the shell, the following user files are read in if they exist (in order):

  1. ~/.bash_profile (anything sent to STDOUT or STDERR will cause things like rsync to break)
  2. ~/.bashrc (interactive login only)
  3. ~/.profile

When a user logs out of an interactive session, the file ~/.bash_logout is executed if it exists.

The default value of the environmental variable, PATH, is set automatically using SoftEnv. See below for more information.

/bin/tcsh

The file ~/.cshrc is used to customize the user's environment if his login shell is /bin/tcsh.

Softenv

SoftEnv is a utility that is supposed to help users manage complex user environments with potentially conflicting application versions and libraries.

System Default Path

When a user logs in, the system /etc/profile or /etc/csh.cshrc (depending on login shell, and mirrored from csm:/cfmroot/etc/profile) calls /usr/local/packages/softenv-1.6.2/bin/use.softenv.sh to set up the default path via the SoftEnv database.

SoftEnv looks for a user's ~/.soft file and updates the variables and paths accordingly.

Viewing Available Packages

The command softenv will provide a list of available packages. The listing will look something like:

$ softenv
These are the macros available:
*   @default
These are the keywords explicitly available:
+amber-8                       Applications: 'Amber', version: 8 Amber is a
+apache-ant-1.6.5              Ant, Java based XML make system version: 1.6.
+charm-5.9                     Applications: 'Charm++', version: 5.9 Charm++
+default                       this is the default environment...nukes /etc/
+essl-4.2                      Libraries: 'ESSL', version: 4.2 ESSL is a sta
+gaussian-03                   Applications: 'Gaussian', version: 03 Gaussia
... some stuff deleted ...
Managing SoftEnv

The file ~/.soft in the user's home directory is where the different packages are managed. Add the +keyword into your .soft file. For instance, ff one wants to add the Amber Molecular Dynamics package into their environment, the end of the .soft file should look like this:

+amber-8

@default

To update the environment after modifying this file, one simply uses the resoft command:

% resoft

The command soft can be used to manipulate the environment from the command line. It takes the form:

$ soft add/delete +keyword

Using this method of adding or removing keywords requires the user to pay attention to possible order dependencies. That is, best results require the user to remove keywords in the reverse order in which they were added. It is handy to test out individual keys, but can lead to trouble if changing multiple keys. Changing the .soft file and issuing the resoft is the recommended way of dealing with multiple changes.

Usage

Softenv defines some variables which point at the library home directory. Use soft-dbq to determine it's name, then use it to add a link option to your build. You may see something like this (the output has been edited for brevity):

$ soft-dbq +fftw-3.3.3-Intel-13.0.0-openmpi-1.6.2

This is all the information associated with
the key or macro +fftw-3.3.3-Intel-13.0.0-openmpi-1.6.2.
. . .
    fftw_HOME = /usr/local/packages/fftw/3.3.3/Intel-13.0.0-openmpi-1.6.2
    

The compile and build options to use would be:

       -I${fftw_HOME}/include
       -L${fftw_HOME}/lib -lname
    

The include files to use, and the library name depend on features needed. For more information, please refer to the materials in the Resources section.

Resources

Last modified: April 01 2014 12:57:43.