Development/FFTW

Description	Content
module load	numlib/fftw
Availability	bwUniCluster
License	GPL | License and Copyright
Citing	Authors
Links	FFTW Homepage | Documentation
Graphical Interface	No

Description

FFTW 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). We believe that FFTW, which is free software, should become the FFT library of choice for most applications.

More infos about FFTW

This package provides three versions of the fftw3 library depending on precision:

1. libfft3
2. libfftw3f
3. libfftw3l for double, single and long-double precision libraries

Documentation

Online

Online Documentation

Local

• info fftw3
• man fftw-wisdom
• man fftw-wisdom-to-conf

See also documentation folder pointed to by shell variable $FFTW_DOC_DIR.

FFTW included in MKL Library

Sometimes, FFTW is not available on your cluster. You can use the MKL library instead and include the FFTW functions, too.
Here is an excerpt from 'module help numlib/mkl':

Static FFTW2/3 C/Fortran interfaces can be found in dir
    ${MKL_HOME}/interfaces/
  Examples:
    Link to FFTW3 Fortran interface with GNU compiler and ilp64 support:
      ${MKL_HOME}/interfaces/fftw3xf/libfftw3xf_intel64_double_i8_gnu47.a
    Link to FFTW3 Fortran interface with Intel compiler and lp64 support:
      ${MKL_HOME}/interfaces/fftw3xf/libfftw3xf_intel64_double_i4_intel150.a
  The Intel FFTW interfaces requires the Intel MKL library (e.g. it does
  not work with ACML library). Usually it is not a problem to use a
  different compiler version, e.g. to use _gnu41.a with gnu 4.3 compiler.
  See dir ${MKL_HOME}/interfaces/ for other interfaces (fftw2/3 Fortran/C).
  Compiler option for include files: -I${MKL_INC_DIR}/fftw

Versions and Availability

A list of versions currently available on all bwHPC-C5-Clusters can be obtained from the

Cluster Information System CIS

{{#widget:Iframe |url=https://cis-hpc.uni-konstanz.de/prod.cis/bwUniCluster/numlib/fftw |width=99% |height=200 |border=0 }} On the command line interface of any bwHPC cluster you'll get a list of available versions by using the command 'module avail chem/gamess'.

$ module avail chem/gamess
------------------------ /opt/bwhpc/common/modulefiles -------------------------
chem/gamess/12052014

Loading the Module

Load the fftw module, and, if needed, the corresponding openmpi and compiler module. You can load the default version of 'FFTW with the command 'module load numlib/fftw'.

$ module load numlib/fftw
Loading module dependency 'compiler/intel/13.1'.

The module will try to load modules it needs to function (e.g. compiler, mpi, numlibs).
If loading the module fails, check if you have already loaded one of those modules with
the command 'module list'. If you wish to load a specific (older) version (if available), you can do so using e.g. 'module load numlib/fftw/'version' to load the version you desires.

$ module avail numlib/fftw
------------------------ /opt/bwhpc/common/modulefiles -------------------------
numlib/fftw/3.3.3-impi-4.1.1-gnu-4.4
numlib/fftw/3.3.3-impi-4.1.1-intel-13.1(default)
$ 
$ module load numlib/fftw/3.3.3-impi-4.1.1-gnu-4.4
$ module list
Currently Loaded Modulefiles:
  1) numlib/fftw/3.3.3-impi-4.1.1-gnu-4.4

Beware! Compiler, MPI-module and numerical library must fit!

Hints for compiling and linking

FFTW Specific Environments

To see a list of all FFTW environments set by the 'module load'-command use the command 'module display numlib/fftw'.
After having loaded the appropriate module(s), you can use several environment variables to compile and link your application.

$ module display numlib/fftw
-------------------------------------------------------------------
/opt/bwhpc/common/modulefiles/numlib/fftw/3.3.3-impi-4.1.1-intel-13.1:
FTW_VERSION = 3.3.3-impi-4.1.1-intel-13.1 
FFTW_HOME = /opt/bwhpc/common/numlib/fftw/3.3.3-impi-4.1.1-intel-13.1 
FFTW_BIN_DIR = /opt/bwhpc/common/numlib/fftw/3.3.3-impi-4.1.1-intel-13.1/bin 
FFTW_INC_DIR = /opt/bwhpc/common/numlib/fftw/3.3.3-impi-4.1.1-intel-13.1/include 
FFTW_LIB_DIR = /opt/bwhpc/common/numlib/fftw/3.3.3-impi-4.1.1-intel-13.1/lib 
FFTW_STA_DIR = /opt/bwhpc/common/numlib/fftw/3.3.3-impi-4.1.1-intel-13.1/lib 
FFTW_SHA_DIR = (empty)
FFTW_MAN_DIR = /opt/bwhpc/common/numlib/fftw/3.3.3-impi-4.1.1-intel-13.1/share/man 
FFTW_INF_DIR = /opt/bwhpc/common/numlib/fftw/3.3.3-impi-4.1.1-intel-13.1/share/info 
FFTW_DOC_DIR = /opt/bwhpc/common/numlib/fftw/3.3.3-impi-4.1.1-intel-13.1/doc 
FFTW_EXA_DIR = /opt/bwhpc/common/numlib/fftw/3.3.3-impi-4.1.1-intel-13.1/examples 
FFTW_WWW = http://www.fftw.org/ 
PATH = /opt/bwhpc/common/numlib/fftw/3.3.3-impi-4.1.1-intel-13.1/bin:$PATH
MANPATH = /opt/bwhpc/common/numlib/fftw/3.3.3-impi-4.1.1-intel-13.1/share/man:$MANPATH
INFOPATH = /opt/bwhpc/common/numlib/fftw/3.3.3-impi-4.1.1-intel-13.1/share/info:$INFOPATH
LD_LIBRARY_PATH = /opt/bwhpc/common/numlib/fftw/3.3.3-impi-4.1.1-intel-13.1/lib:$LD_LIBRARY_PATH 
[...]

Compile a Serial Program

 $ gcc example.c -o example -I$FFTW_INC_DIR -L$FFTW_LIB_DIR -lfftw3 -lm

with POSIX Threads

Compile program with support for POSIX threads.

 $ gcc example.c -o example -I$FFTW_INC_DIR -L$FFTW_LIB_DIR -lfftw3_threads -lfftw3 -lpthread -lm

Compile program with support for OpenMP threads

 $ gcc example.c -o example -fopenmp -I$FFTW_INC_DIR -L$FFTW_LIB_DIR -lfftw3_omp -lfftw3 -lm

Compile program with support for MPI

 $ mpicc example.c -o example -I$FFTW_INC_DIR -L$FFTW_LIB_DIR -lfftw3_mpi -lfftw3 -lm 

Run program with MPI support

 $ mpirun -n <ncpu> ./example 

(Replace <ncpu> by number of processor cores.)

Replace -lfftw3, -lfftw3_threads, etc. by -lfftw3f, -lfftw3f_threads, etc. for single precision and by -lfftw3l, -lfftw3l_threads etc. for long-double precision codes, respectively.

These commands will compile your program with dynamic fftw library versions in which case you also have to have the fftw module loaded for running the program. Alternatively, you may want to link your program with static fftw library versions. With static fftw libraries it is only necessary to load the fftw module for compiling but not for executing the program.

Compile program with static fftw library versions

Example for POSIX threads support

 $ gcc example.c -o example -I$FFTW_INC_DIR $FFTW_LIB_DIR/{libfftw3_threads.a,libfftw3.a} -lpthread -lm 

or:

 $ gcc example.c -o example -I$FFTW_INC_DIR -L$FFTW_LIB_DIR -Wl,-Bstatic -lfftw3 -lfftw3_threads \
       -Wl,-Bdynamic -lpthread -lm 

Environment variables $FFTW_INC_DIR, $FFTW_LIB_DIR etc. are available after loading the module.

Sample Code

Sample code for various test cases is provided in folder pointed to by environment variable $FFTW_EXA_DIR.

$ module list
Currently Loaded Modulefiles:
  1) compiler/intel/13.1
  2) numlib/fftw/3.3.3-impi-4.1.1-intel-13.1(default)
$ ls -F $FFTW_EXA_DIR
ex_mpi_2d.c         ex_serial_1d.c  fftw3f-test.c
ex_ompthreads_2d.c  ex_serial_2d.c  fftw3l-test.c
ex_pthreads_2d.c    ex_serial_3d.c  fftw3-test.c
$ echo $FFTW_EXA_DIR
/opt/bwhpc/common/numlib/fftw/3.3.3-impi-4.1.1-intel-13.1/examples