Install

Installing P3DFFT

The latest version of P3DFFT can be found here. Once you have extracted the package, you must take the following steps to complete the setup:

1. Run the configure script
2. Run 'make'
3. Run 'make install'

How to compile P3DFFT

P3DFFT uses a configure script to create Makefiles for compiling the library as well as several examples. This page will step you through the process of running the configure script properly.

Run "configure --help" for complete list of options. Recommended options: --enable-stride1. For Cray XT platforms also recommended --enable-useeven.

Currently the package supports four compiler suites: PGI, Intel, IBM and GNU. Some examples of compiling on several systems are given below. Users may need to customize as needed. If you wish to share more examples or to request or contribute in support for other compilers, please write to dmitry@sdsc.edu. If you give us an account on your system we will work with you to customize the installation.

Argument	Notes	Description	Example
--prefix=PREFIX	Mandatory for users without access to /usr/local	This argument will install p3dfft to PREFIX when you run make install. By default, configure will install to /usr/local	--prefix=$HOME/local/
--enable-gnu, --enable-ibm, --enable-intel, --enable-pgi, --enable-cray	Mandatory	These arguments will prepare p3dfft to be built by a specific compiler. You must only choose one option.	--enable-pgi
--enable-fftw, --enable-essl	Mandatory	These arguments will prepare p3dfft to be used with either the FFTW or ESSL library. You must only choose one option.	--enable-fftw
--with-fftw= FFTWLOCATION	Mandatory if --enable-fftw is used	This argument specifies the path location for the FFTW library; it is mandatory if you are planning to use p3dfft with the FFTW library.	--enable-fftw --with-fftw=$FFTW_HOME
--enable-oned	Optional,	This argument is for 1D decomposition. The default is 2D decomposition but can be made to 1D by setting up a grid 1xn when running the code.	--enable-oned
--enable-estimate	Optional, use only with --enable-fftw	If this argument is passed, the FFTW library will not use run-time tuning to select the fastest algorithm for computing FFTs.	--enable-estimate
--enable-measure	Optional, enabled by default, use only with --enable-fftw	For search-once-for-the-fast algorithm (takes more time on p3dfft_setup()).	--enable-measure
--enable-patient	Optional, use only with --enable-fftw	For search-once-for-the-fastest-algorithm (takes much more time on p3dfft_setup()).	--enable-patient
--enable-dimsc	Optional	To assign processor rows and columns in the Cartesian processor grid according to C convention. The default is Fortran convention which is recommended. This option does not affect the order of storage of arrays in memory.	--enable-dimsc
--enable-useeven	Optional, recommended for Cray XT	This argument is for using MPI_Alltoall instead of MPI_Alltotallv. This will pad the send buffers with zeros to make them of equal size; not needed on most architecture but may lead to better results on Cray XT.	--enable-useeven
--enable-stride1	Optional, recommended	To enable stride-1 data structures on output (this may in some cases give some advantage in performance). You can define loop blocking factors NLBX and NBLY to experiment, otherwise they are set to default values.	--enable-stride1
--enable-nblx	Optional	To define loop blocking factor NBL_X	--enable-nblx=32
--enable-nbly1	Optional	To define loop blocking factor NBL_Y1	--enable-nbly1=32
--enable-nbly2	Optional	To define loop blocking factor NBL_Y2	--enable-nbly2=32
--enable-nblz	Optional	To define loop blocking factor NBL_Z	--enable-nblz=32
--enable-single	Optional	This argument will compile p3dfft in single-precision. By default, configure will setup p3dfft to be compiled in double-precision.	--enable-single
FC=	Optional	Fortran compiler	FC=mpfort
FCFLAGS=""	Optional, recommended	Fortran compiler flags	FCFLAGS="-Mextend"
CC=	Optional	C compiler	CC=mpcc
CFLAGS=""	Optional, recommended	C compiler flags	CFLAGS="-fastsse"
LDFLAGS=""	Mandatory (depending on platform)	Linker flags	LDFLAGS=-lmpi_f90 -lmpi_f77"

Compiling on Gordon/Comet (SDSC)

Compiler	Modules	Arguments
PGI	pgi, fftw, mvapich2_ib	./configure --enable-pgi --enable-fftw --with-fftw=$FFTWHOME FC=mpif90 CC=mpicc
Intel	intel, fftw, mvapich2_ib	./configure --enable-intel --enable-fftw --with-fftw=$FFTWHOME FC=mpif90 CC=mpicc
GNU	gnu, fftw, mvapich2_ib	./configure --enable-gnu --enable-fftw --with-fftw=$FFTWHOME FC=mpif90 CC=mpicc

Compiling on Stampede (TACC)

Compiler	Modules	Arguments
Intel	fftw3	./configure --enable-fftw --enable-intel --with-fftw=$TACC_FFTW3_DIR FC=mpif90 CC=mpicc

Compiling on NERSC platforms (Cori, Edison)

Compiler	Modules	Arguments
PGI	PrgEnv-pgi, fftw	./configure --enable-pgi --enable-fftw --with-fftw=$FFTW_DIR/.. FC=ftn CC=cc
Intel	PrgEnv-intel, fftw	./configure --enable-intel --enable-fftw --with-fftw=$FFTW_DIR/.. FC=ftn CC=cc
GNU	PrgEnv-gnu, fftw	./configure --enable-gnu --enable-fftw --with-fftw=$FFTW_DIR/.. FC=ftn CC=cc
Cray	PrgEnv-cray, fftw	./configure --enable-cray --enable-fftw --with-fftw=$FFTW_DIR/.. FC=ftn CC=cc

Compiling on Blacklight (PSC)

Compiler	Modules	Arguments
Intel	fftw	./configure --enable-fftw --enable-intel --with-fftw=$FFTW_LIB/.. CC=icc FC=ifort FCFLAGS=-lmpi

Compiling on Mira/Cetus/Vesta (ALCF)

Compiler	Arguments
IBM XL	./configure --enable-ibm --enable-essl --with-essl=/soft/libraries/essl/current FC=mpixlf90_r CC=mpixlc_r
GNU	./configure --enable-gnu --enable-fftw --with-fftw=/soft/libraries/alcf/current/{xl,gcc}/FFTW3 FC=mpif90 CC=mpicc