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1769 lines
78 KiB
Text
1769 lines
78 KiB
Text
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@node Distributed-memory FFTW with MPI, Calling FFTW from Modern Fortran, Multi-threaded FFTW, Top
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@chapter Distributed-memory FFTW with MPI
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@cindex MPI
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@cindex parallel transform
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In this chapter we document the parallel FFTW routines for parallel
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systems supporting the MPI message-passing interface. Unlike the
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shared-memory threads described in the previous chapter, MPI allows
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you to use @emph{distributed-memory} parallelism, where each CPU has
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its own separate memory, and which can scale up to clusters of many
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thousands of processors. This capability comes at a price, however:
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each process only stores a @emph{portion} of the data to be
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transformed, which means that the data structures and
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programming-interface are quite different from the serial or threads
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versions of FFTW.
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@cindex data distribution
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Distributed-memory parallelism is especially useful when you are
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transforming arrays so large that they do not fit into the memory of a
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single processor. The storage per-process required by FFTW's MPI
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routines is proportional to the total array size divided by the number
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of processes. Conversely, distributed-memory parallelism can easily
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pose an unacceptably high communications overhead for small problems;
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the threshold problem size for which parallelism becomes advantageous
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will depend on the precise problem you are interested in, your
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hardware, and your MPI implementation.
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A note on terminology: in MPI, you divide the data among a set of
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``processes'' which each run in their own memory address space.
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Generally, each process runs on a different physical processor, but
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this is not required. A set of processes in MPI is described by an
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opaque data structure called a ``communicator,'' the most common of
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which is the predefined communicator @code{MPI_COMM_WORLD} which
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refers to @emph{all} processes. For more information on these and
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other concepts common to all MPI programs, we refer the reader to the
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documentation at @uref{http://www.mcs.anl.gov/research/projects/mpi/, the MPI home
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page}.
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@cindex MPI communicator
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@ctindex MPI_COMM_WORLD
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We assume in this chapter that the reader is familiar with the usage
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of the serial (uniprocessor) FFTW, and focus only on the concepts new
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to the MPI interface.
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@menu
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* FFTW MPI Installation::
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* Linking and Initializing MPI FFTW::
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* 2d MPI example::
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* MPI Data Distribution::
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* Multi-dimensional MPI DFTs of Real Data::
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* Other Multi-dimensional Real-data MPI Transforms::
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* FFTW MPI Transposes::
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* FFTW MPI Wisdom::
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* Avoiding MPI Deadlocks::
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* FFTW MPI Performance Tips::
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* Combining MPI and Threads::
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* FFTW MPI Reference::
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* FFTW MPI Fortran Interface::
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@end menu
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@c ------------------------------------------------------------
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@node FFTW MPI Installation, Linking and Initializing MPI FFTW, Distributed-memory FFTW with MPI, Distributed-memory FFTW with MPI
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@section FFTW MPI Installation
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All of the FFTW MPI code is located in the @code{mpi} subdirectory of
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the FFTW package. On Unix systems, the FFTW MPI libraries and header
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files are automatically configured, compiled, and installed along with
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the uniprocessor FFTW libraries simply by including
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@code{--enable-mpi} in the flags to the @code{configure} script
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(@pxref{Installation on Unix}).
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@fpindex configure
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Any implementation of the MPI standard, version 1 or later, should
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work with FFTW. The @code{configure} script will attempt to
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automatically detect how to compile and link code using your MPI
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implementation. In some cases, especially if you have multiple
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different MPI implementations installed or have an unusual MPI
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software package, you may need to provide this information explicitly.
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Most commonly, one compiles MPI code by invoking a special compiler
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command, typically @code{mpicc} for C code. The @code{configure}
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script knows the most common names for this command, but you can
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specify the MPI compilation command explicitly by setting the
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@code{MPICC} variable, as in @samp{./configure MPICC=mpicc ...}.
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@fpindex mpicc
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If, instead of a special compiler command, you need to link a certain
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library, you can specify the link command via the @code{MPILIBS}
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variable, as in @samp{./configure MPILIBS=-lmpi ...}. Note that if
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your MPI library is installed in a non-standard location (one the
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compiler does not know about by default), you may also have to specify
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the location of the library and header files via @code{LDFLAGS} and
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@code{CPPFLAGS} variables, respectively, as in @samp{./configure
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LDFLAGS=-L/path/to/mpi/libs CPPFLAGS=-I/path/to/mpi/include ...}.
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@c ------------------------------------------------------------
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@node Linking and Initializing MPI FFTW, 2d MPI example, FFTW MPI Installation, Distributed-memory FFTW with MPI
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@section Linking and Initializing MPI FFTW
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Programs using the MPI FFTW routines should be linked with
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@code{-lfftw3_mpi -lfftw3 -lm} on Unix in double precision,
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@code{-lfftw3f_mpi -lfftw3f -lm} in single precision, and so on
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(@pxref{Precision}). You will also need to link with whatever library
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is responsible for MPI on your system; in most MPI implementations,
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there is a special compiler alias named @code{mpicc} to compile and
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link MPI code.
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@fpindex mpicc
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@cindex linking on Unix
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@cindex precision
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@findex fftw_init_threads
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Before calling any FFTW routines except possibly
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@code{fftw_init_threads} (@pxref{Combining MPI and Threads}), but after calling
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@code{MPI_Init}, you should call the function:
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@example
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void fftw_mpi_init(void);
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@end example
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@findex fftw_mpi_init
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If, at the end of your program, you want to get rid of all memory and
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other resources allocated internally by FFTW, for both the serial and
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MPI routines, you can call:
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@example
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void fftw_mpi_cleanup(void);
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@end example
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@findex fftw_mpi_cleanup
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which is much like the @code{fftw_cleanup()} function except that it
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also gets rid of FFTW's MPI-related data. You must @emph{not} execute
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any previously created plans after calling this function.
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@c ------------------------------------------------------------
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@node 2d MPI example, MPI Data Distribution, Linking and Initializing MPI FFTW, Distributed-memory FFTW with MPI
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@section 2d MPI example
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Before we document the FFTW MPI interface in detail, we begin with a
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simple example outlining how one would perform a two-dimensional
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@code{N0} by @code{N1} complex DFT.
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@example
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#include <fftw3-mpi.h>
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int main(int argc, char **argv)
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@{
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const ptrdiff_t N0 = ..., N1 = ...;
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fftw_plan plan;
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fftw_complex *data;
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ptrdiff_t alloc_local, local_n0, local_0_start, i, j;
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MPI_Init(&argc, &argv);
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fftw_mpi_init();
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/* @r{get local data size and allocate} */
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alloc_local = fftw_mpi_local_size_2d(N0, N1, MPI_COMM_WORLD,
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&local_n0, &local_0_start);
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data = fftw_alloc_complex(alloc_local);
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/* @r{create plan for in-place forward DFT} */
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plan = fftw_mpi_plan_dft_2d(N0, N1, data, data, MPI_COMM_WORLD,
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FFTW_FORWARD, FFTW_ESTIMATE);
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/* @r{initialize data to some function} my_function(x,y) */
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for (i = 0; i < local_n0; ++i) for (j = 0; j < N1; ++j)
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data[i*N1 + j] = my_function(local_0_start + i, j);
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/* @r{compute transforms, in-place, as many times as desired} */
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fftw_execute(plan);
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fftw_destroy_plan(plan);
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MPI_Finalize();
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@}
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@end example
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As can be seen above, the MPI interface follows the same basic style
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of allocate/plan/execute/destroy as the serial FFTW routines. All of
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the MPI-specific routines are prefixed with @samp{fftw_mpi_} instead
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of @samp{fftw_}. There are a few important differences, however:
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First, we must call @code{fftw_mpi_init()} after calling
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@code{MPI_Init} (required in all MPI programs) and before calling any
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other @samp{fftw_mpi_} routine.
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@findex MPI_Init
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@findex fftw_mpi_init
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Second, when we create the plan with @code{fftw_mpi_plan_dft_2d},
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analogous to @code{fftw_plan_dft_2d}, we pass an additional argument:
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the communicator, indicating which processes will participate in the
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transform (here @code{MPI_COMM_WORLD}, indicating all processes).
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Whenever you create, execute, or destroy a plan for an MPI transform,
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you must call the corresponding FFTW routine on @emph{all} processes
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in the communicator for that transform. (That is, these are
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@emph{collective} calls.) Note that the plan for the MPI transform
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uses the standard @code{fftw_execute} and @code{fftw_destroy} routines
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(on the other hand, there are MPI-specific new-array execute functions
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documented below).
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@cindex collective function
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@findex fftw_mpi_plan_dft_2d
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@ctindex MPI_COMM_WORLD
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Third, all of the FFTW MPI routines take @code{ptrdiff_t} arguments
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instead of @code{int} as for the serial FFTW. @code{ptrdiff_t} is a
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standard C integer type which is (at least) 32 bits wide on a 32-bit
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machine and 64 bits wide on a 64-bit machine. This is to make it easy
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to specify very large parallel transforms on a 64-bit machine. (You
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can specify 64-bit transform sizes in the serial FFTW, too, but only
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by using the @samp{guru64} planner interface. @xref{64-bit Guru
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Interface}.)
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@tindex ptrdiff_t
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@cindex 64-bit architecture
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Fourth, and most importantly, you don't allocate the entire
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two-dimensional array on each process. Instead, you call
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@code{fftw_mpi_local_size_2d} to find out what @emph{portion} of the
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array resides on each processor, and how much space to allocate.
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Here, the portion of the array on each process is a @code{local_n0} by
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@code{N1} slice of the total array, starting at index
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@code{local_0_start}. The total number of @code{fftw_complex} numbers
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to allocate is given by the @code{alloc_local} return value, which
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@emph{may} be greater than @code{local_n0 * N1} (in case some
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intermediate calculations require additional storage). The data
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distribution in FFTW's MPI interface is described in more detail by
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the next section.
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@findex fftw_mpi_local_size_2d
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@cindex data distribution
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Given the portion of the array that resides on the local process, it
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is straightforward to initialize the data (here to a function
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@code{myfunction}) and otherwise manipulate it. Of course, at the end
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of the program you may want to output the data somehow, but
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synchronizing this output is up to you and is beyond the scope of this
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manual. (One good way to output a large multi-dimensional distributed
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array in MPI to a portable binary file is to use the free HDF5
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library; see the @uref{http://www.hdfgroup.org/, HDF home page}.)
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@cindex HDF5
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@cindex MPI I/O
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@c ------------------------------------------------------------
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@node MPI Data Distribution, Multi-dimensional MPI DFTs of Real Data, 2d MPI example, Distributed-memory FFTW with MPI
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@section MPI Data Distribution
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@cindex data distribution
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The most important concept to understand in using FFTW's MPI interface
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is the data distribution. With a serial or multithreaded FFT, all of
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the inputs and outputs are stored as a single contiguous chunk of
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memory. With a distributed-memory FFT, the inputs and outputs are
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broken into disjoint blocks, one per process.
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In particular, FFTW uses a @emph{1d block distribution} of the data,
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distributed along the @emph{first dimension}. For example, if you
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want to perform a @twodims{100,200} complex DFT, distributed over 4
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processes, each process will get a @twodims{25,200} slice of the data.
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That is, process 0 will get rows 0 through 24, process 1 will get rows
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25 through 49, process 2 will get rows 50 through 74, and process 3
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will get rows 75 through 99. If you take the same array but
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distribute it over 3 processes, then it is not evenly divisible so the
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different processes will have unequal chunks. FFTW's default choice
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in this case is to assign 34 rows to processes 0 and 1, and 32 rows to
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process 2.
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@cindex block distribution
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FFTW provides several @samp{fftw_mpi_local_size} routines that you can
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call to find out what portion of an array is stored on the current
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process. In most cases, you should use the default block sizes picked
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by FFTW, but it is also possible to specify your own block size. For
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example, with a @twodims{100,200} array on three processes, you can
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tell FFTW to use a block size of 40, which would assign 40 rows to
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processes 0 and 1, and 20 rows to process 2. FFTW's default is to
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divide the data equally among the processes if possible, and as best
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it can otherwise. The rows are always assigned in ``rank order,''
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i.e. process 0 gets the first block of rows, then process 1, and so
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on. (You can change this by using @code{MPI_Comm_split} to create a
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new communicator with re-ordered processes.) However, you should
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always call the @samp{fftw_mpi_local_size} routines, if possible,
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rather than trying to predict FFTW's distribution choices.
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In particular, it is critical that you allocate the storage size that
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is returned by @samp{fftw_mpi_local_size}, which is @emph{not}
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necessarily the size of the local slice of the array. The reason is
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that intermediate steps of FFTW's algorithms involve transposing the
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array and redistributing the data, so at these intermediate steps FFTW
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may require more local storage space (albeit always proportional to
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the total size divided by the number of processes). The
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@samp{fftw_mpi_local_size} functions know how much storage is required
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for these intermediate steps and tell you the correct amount to
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allocate.
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@menu
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* Basic and advanced distribution interfaces::
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* Load balancing::
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* Transposed distributions::
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* One-dimensional distributions::
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@end menu
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|
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@node Basic and advanced distribution interfaces, Load balancing, MPI Data Distribution, MPI Data Distribution
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@subsection Basic and advanced distribution interfaces
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|
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As with the planner interface, the @samp{fftw_mpi_local_size}
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distribution interface is broken into basic and advanced
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(@samp{_many}) interfaces, where the latter allows you to specify the
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block size manually and also to request block sizes when computing
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multiple transforms simultaneously. These functions are documented
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more exhaustively by the FFTW MPI Reference, but we summarize the
|
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basic ideas here using a couple of two-dimensional examples.
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|
|
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|
For the @twodims{100,200} complex-DFT example, above, we would find
|
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the distribution by calling the following function in the basic
|
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interface:
|
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|
|
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|
@example
|
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ptrdiff_t fftw_mpi_local_size_2d(ptrdiff_t n0, ptrdiff_t n1, MPI_Comm comm,
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ptrdiff_t *local_n0, ptrdiff_t *local_0_start);
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@end example
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@findex fftw_mpi_local_size_2d
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|
|
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Given the total size of the data to be transformed (here, @code{n0 =
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100} and @code{n1 = 200}) and an MPI communicator (@code{comm}), this
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function provides three numbers.
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|
|
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First, it describes the shape of the local data: the current process
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should store a @code{local_n0} by @code{n1} slice of the overall
|
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|
dataset, in row-major order (@code{n1} dimension contiguous), starting
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at index @code{local_0_start}. That is, if the total dataset is
|
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|
viewed as a @code{n0} by @code{n1} matrix, the current process should
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store the rows @code{local_0_start} to
|
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@code{local_0_start+local_n0-1}. Obviously, if you are running with
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only a single MPI process, that process will store the entire array:
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@code{local_0_start} will be zero and @code{local_n0} will be
|
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|
@code{n0}. @xref{Row-major Format}.
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|
@cindex row-major
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|
|
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|
|
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|
Second, the return value is the total number of data elements (e.g.,
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|
complex numbers for a complex DFT) that should be allocated for the
|
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|
input and output arrays on the current process (ideally with
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||
|
@code{fftw_malloc} or an @samp{fftw_alloc} function, to ensure optimal
|
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|
alignment). It might seem that this should always be equal to
|
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|
@code{local_n0 * n1}, but this is @emph{not} the case. FFTW's
|
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|
distributed FFT algorithms require data redistributions at
|
||
|
intermediate stages of the transform, and in some circumstances this
|
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|
may require slightly larger local storage. This is discussed in more
|
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|
detail below, under @ref{Load balancing}.
|
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|
@findex fftw_malloc
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@findex fftw_alloc_complex
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|
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|
|
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|
@cindex advanced interface
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The advanced-interface @samp{local_size} function for multidimensional
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|
transforms returns the same three things (@code{local_n0},
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|
@code{local_0_start}, and the total number of elements to allocate),
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but takes more inputs:
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|
|
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|
@example
|
||
|
ptrdiff_t fftw_mpi_local_size_many(int rnk, const ptrdiff_t *n,
|
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|
ptrdiff_t howmany,
|
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|
ptrdiff_t block0,
|
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MPI_Comm comm,
|
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ptrdiff_t *local_n0,
|
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ptrdiff_t *local_0_start);
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@end example
|
||
|
@findex fftw_mpi_local_size_many
|
||
|
|
||
|
The two-dimensional case above corresponds to @code{rnk = 2} and an
|
||
|
array @code{n} of length 2 with @code{n[0] = n0} and @code{n[1] = n1}.
|
||
|
This routine is for any @code{rnk > 1}; one-dimensional transforms
|
||
|
have their own interface because they work slightly differently, as
|
||
|
discussed below.
|
||
|
|
||
|
First, the advanced interface allows you to perform multiple
|
||
|
transforms at once, of interleaved data, as specified by the
|
||
|
@code{howmany} parameter. (@code{hoamany} is 1 for a single
|
||
|
transform.)
|
||
|
|
||
|
Second, here you can specify your desired block size in the @code{n0}
|
||
|
dimension, @code{block0}. To use FFTW's default block size, pass
|
||
|
@code{FFTW_MPI_DEFAULT_BLOCK} (0) for @code{block0}. Otherwise, on
|
||
|
@code{P} processes, FFTW will return @code{local_n0} equal to
|
||
|
@code{block0} on the first @code{P / block0} processes (rounded down),
|
||
|
return @code{local_n0} equal to @code{n0 - block0 * (P / block0)} on
|
||
|
the next process, and @code{local_n0} equal to zero on any remaining
|
||
|
processes. In general, we recommend using the default block size
|
||
|
(which corresponds to @code{n0 / P}, rounded up).
|
||
|
@ctindex FFTW_MPI_DEFAULT_BLOCK
|
||
|
@cindex block distribution
|
||
|
|
||
|
|
||
|
For example, suppose you have @code{P = 4} processes and @code{n0 =
|
||
|
21}. The default will be a block size of @code{6}, which will give
|
||
|
@code{local_n0 = 6} on the first three processes and @code{local_n0 =
|
||
|
3} on the last process. Instead, however, you could specify
|
||
|
@code{block0 = 5} if you wanted, which would give @code{local_n0 = 5}
|
||
|
on processes 0 to 2, @code{local_n0 = 6} on process 3. (This choice,
|
||
|
while it may look superficially more ``balanced,'' has the same
|
||
|
critical path as FFTW's default but requires more communications.)
|
||
|
|
||
|
@node Load balancing, Transposed distributions, Basic and advanced distribution interfaces, MPI Data Distribution
|
||
|
@subsection Load balancing
|
||
|
@cindex load balancing
|
||
|
|
||
|
Ideally, when you parallelize a transform over some @math{P}
|
||
|
processes, each process should end up with work that takes equal time.
|
||
|
Otherwise, all of the processes end up waiting on whichever process is
|
||
|
slowest. This goal is known as ``load balancing.'' In this section,
|
||
|
we describe the circumstances under which FFTW is able to load-balance
|
||
|
well, and in particular how you should choose your transform size in
|
||
|
order to load balance.
|
||
|
|
||
|
Load balancing is especially difficult when you are parallelizing over
|
||
|
heterogeneous machines; for example, if one of your processors is a
|
||
|
old 486 and another is a Pentium IV, obviously you should give the
|
||
|
Pentium more work to do than the 486 since the latter is much slower.
|
||
|
FFTW does not deal with this problem, however---it assumes that your
|
||
|
processes run on hardware of comparable speed, and that the goal is
|
||
|
therefore to divide the problem as equally as possible.
|
||
|
|
||
|
For a multi-dimensional complex DFT, FFTW can divide the problem
|
||
|
equally among the processes if: (i) the @emph{first} dimension
|
||
|
@code{n0} is divisible by @math{P}; and (ii), the @emph{product} of
|
||
|
the subsequent dimensions is divisible by @math{P}. (For the advanced
|
||
|
interface, where you can specify multiple simultaneous transforms via
|
||
|
some ``vector'' length @code{howmany}, a factor of @code{howmany} is
|
||
|
included in the product of the subsequent dimensions.)
|
||
|
|
||
|
For a one-dimensional complex DFT, the length @code{N} of the data
|
||
|
should be divisible by @math{P} @emph{squared} to be able to divide
|
||
|
the problem equally among the processes.
|
||
|
|
||
|
@node Transposed distributions, One-dimensional distributions, Load balancing, MPI Data Distribution
|
||
|
@subsection Transposed distributions
|
||
|
|
||
|
Internally, FFTW's MPI transform algorithms work by first computing
|
||
|
transforms of the data local to each process, then by globally
|
||
|
@emph{transposing} the data in some fashion to redistribute the data
|
||
|
among the processes, transforming the new data local to each process,
|
||
|
and transposing back. For example, a two-dimensional @code{n0} by
|
||
|
@code{n1} array, distributed across the @code{n0} dimension, is
|
||
|
transformd by: (i) transforming the @code{n1} dimension, which are
|
||
|
local to each process; (ii) transposing to an @code{n1} by @code{n0}
|
||
|
array, distributed across the @code{n1} dimension; (iii) transforming
|
||
|
the @code{n0} dimension, which is now local to each process; (iv)
|
||
|
transposing back.
|
||
|
@cindex transpose
|
||
|
|
||
|
|
||
|
However, in many applications it is acceptable to compute a
|
||
|
multidimensional DFT whose results are produced in transposed order
|
||
|
(e.g., @code{n1} by @code{n0} in two dimensions). This provides a
|
||
|
significant performance advantage, because it means that the final
|
||
|
transposition step can be omitted. FFTW supports this optimization,
|
||
|
which you specify by passing the flag @code{FFTW_MPI_TRANSPOSED_OUT}
|
||
|
to the planner routines. To compute the inverse transform of
|
||
|
transposed output, you specify @code{FFTW_MPI_TRANSPOSED_IN} to tell
|
||
|
it that the input is transposed. In this section, we explain how to
|
||
|
interpret the output format of such a transform.
|
||
|
@ctindex FFTW_MPI_TRANSPOSED_OUT
|
||
|
@ctindex FFTW_MPI_TRANSPOSED_IN
|
||
|
|
||
|
|
||
|
Suppose you have are transforming multi-dimensional data with (at
|
||
|
least two) dimensions @ndims{}. As always, it is distributed along
|
||
|
the first dimension @dimk{0}. Now, if we compute its DFT with the
|
||
|
@code{FFTW_MPI_TRANSPOSED_OUT} flag, the resulting output data are stored
|
||
|
with the first @emph{two} dimensions transposed: @ndimstrans{},
|
||
|
distributed along the @dimk{1} dimension. Conversely, if we take the
|
||
|
@ndimstrans{} data and transform it with the
|
||
|
@code{FFTW_MPI_TRANSPOSED_IN} flag, then the format goes back to the
|
||
|
original @ndims{} array.
|
||
|
|
||
|
There are two ways to find the portion of the transposed array that
|
||
|
resides on the current process. First, you can simply call the
|
||
|
appropriate @samp{local_size} function, passing @ndimstrans{} (the
|
||
|
transposed dimensions). This would mean calling the @samp{local_size}
|
||
|
function twice, once for the transposed and once for the
|
||
|
non-transposed dimensions. Alternatively, you can call one of the
|
||
|
@samp{local_size_transposed} functions, which returns both the
|
||
|
non-transposed and transposed data distribution from a single call.
|
||
|
For example, for a 3d transform with transposed output (or input), you
|
||
|
might call:
|
||
|
|
||
|
@example
|
||
|
ptrdiff_t fftw_mpi_local_size_3d_transposed(
|
||
|
ptrdiff_t n0, ptrdiff_t n1, ptrdiff_t n2, MPI_Comm comm,
|
||
|
ptrdiff_t *local_n0, ptrdiff_t *local_0_start,
|
||
|
ptrdiff_t *local_n1, ptrdiff_t *local_1_start);
|
||
|
@end example
|
||
|
@findex fftw_mpi_local_size_3d_transposed
|
||
|
|
||
|
Here, @code{local_n0} and @code{local_0_start} give the size and
|
||
|
starting index of the @code{n0} dimension for the
|
||
|
@emph{non}-transposed data, as in the previous sections. For
|
||
|
@emph{transposed} data (e.g. the output for
|
||
|
@code{FFTW_MPI_TRANSPOSED_OUT}), @code{local_n1} and
|
||
|
@code{local_1_start} give the size and starting index of the @code{n1}
|
||
|
dimension, which is the first dimension of the transposed data
|
||
|
(@code{n1} by @code{n0} by @code{n2}).
|
||
|
|
||
|
(Note that @code{FFTW_MPI_TRANSPOSED_IN} is completely equivalent to
|
||
|
performing @code{FFTW_MPI_TRANSPOSED_OUT} and passing the first two
|
||
|
dimensions to the planner in reverse order, or vice versa. If you
|
||
|
pass @emph{both} the @code{FFTW_MPI_TRANSPOSED_IN} and
|
||
|
@code{FFTW_MPI_TRANSPOSED_OUT} flags, it is equivalent to swapping the
|
||
|
first two dimensions passed to the planner and passing @emph{neither}
|
||
|
flag.)
|
||
|
|
||
|
@node One-dimensional distributions, , Transposed distributions, MPI Data Distribution
|
||
|
@subsection One-dimensional distributions
|
||
|
|
||
|
For one-dimensional distributed DFTs using FFTW, matters are slightly
|
||
|
more complicated because the data distribution is more closely tied to
|
||
|
how the algorithm works. In particular, you can no longer pass an
|
||
|
arbitrary block size and must accept FFTW's default; also, the block
|
||
|
sizes may be different for input and output. Also, the data
|
||
|
distribution depends on the flags and transform direction, in order
|
||
|
for forward and backward transforms to work correctly.
|
||
|
|
||
|
@example
|
||
|
ptrdiff_t fftw_mpi_local_size_1d(ptrdiff_t n0, MPI_Comm comm,
|
||
|
int sign, unsigned flags,
|
||
|
ptrdiff_t *local_ni, ptrdiff_t *local_i_start,
|
||
|
ptrdiff_t *local_no, ptrdiff_t *local_o_start);
|
||
|
@end example
|
||
|
@findex fftw_mpi_local_size_1d
|
||
|
|
||
|
This function computes the data distribution for a 1d transform of
|
||
|
size @code{n0} with the given transform @code{sign} and @code{flags}.
|
||
|
Both input and output data use block distributions. The input on the
|
||
|
current process will consist of @code{local_ni} numbers starting at
|
||
|
index @code{local_i_start}; e.g. if only a single process is used,
|
||
|
then @code{local_ni} will be @code{n0} and @code{local_i_start} will
|
||
|
be @code{0}. Similarly for the output, with @code{local_no} numbers
|
||
|
starting at index @code{local_o_start}. The return value of
|
||
|
@code{fftw_mpi_local_size_1d} will be the total number of elements to
|
||
|
allocate on the current process (which might be slightly larger than
|
||
|
the local size due to intermediate steps in the algorithm).
|
||
|
|
||
|
As mentioned above (@pxref{Load balancing}), the data will be divided
|
||
|
equally among the processes if @code{n0} is divisible by the
|
||
|
@emph{square} of the number of processes. In this case,
|
||
|
@code{local_ni} will equal @code{local_no}. Otherwise, they may be
|
||
|
different.
|
||
|
|
||
|
For some applications, such as convolutions, the order of the output
|
||
|
data is irrelevant. In this case, performance can be improved by
|
||
|
specifying that the output data be stored in an FFTW-defined
|
||
|
``scrambled'' format. (In particular, this is the analogue of
|
||
|
transposed output in the multidimensional case: scrambled output saves
|
||
|
a communications step.) If you pass @code{FFTW_MPI_SCRAMBLED_OUT} in
|
||
|
the flags, then the output is stored in this (undocumented) scrambled
|
||
|
order. Conversely, to perform the inverse transform of data in
|
||
|
scrambled order, pass the @code{FFTW_MPI_SCRAMBLED_IN} flag.
|
||
|
@ctindex FFTW_MPI_SCRAMBLED_OUT
|
||
|
@ctindex FFTW_MPI_SCRAMBLED_IN
|
||
|
|
||
|
|
||
|
In MPI FFTW, only composite sizes @code{n0} can be parallelized; we
|
||
|
have not yet implemented a parallel algorithm for large prime sizes.
|
||
|
|
||
|
@c ------------------------------------------------------------
|
||
|
@node Multi-dimensional MPI DFTs of Real Data, Other Multi-dimensional Real-data MPI Transforms, MPI Data Distribution, Distributed-memory FFTW with MPI
|
||
|
@section Multi-dimensional MPI DFTs of Real Data
|
||
|
|
||
|
FFTW's MPI interface also supports multi-dimensional DFTs of real
|
||
|
data, similar to the serial r2c and c2r interfaces. (Parallel
|
||
|
one-dimensional real-data DFTs are not currently supported; you must
|
||
|
use a complex transform and set the imaginary parts of the inputs to
|
||
|
zero.)
|
||
|
|
||
|
The key points to understand for r2c and c2r MPI transforms (compared
|
||
|
to the MPI complex DFTs or the serial r2c/c2r transforms), are:
|
||
|
|
||
|
@itemize @bullet
|
||
|
|
||
|
@item
|
||
|
Just as for serial transforms, r2c/c2r DFTs transform @ndims{} real
|
||
|
data to/from @ndimshalf{} complex data: the last dimension of the
|
||
|
complex data is cut in half (rounded down), plus one. As for the
|
||
|
serial transforms, the sizes you pass to the @samp{plan_dft_r2c} and
|
||
|
@samp{plan_dft_c2r} are the @ndims{} dimensions of the real data.
|
||
|
|
||
|
@item
|
||
|
@cindex padding
|
||
|
Although the real data is @emph{conceptually} @ndims{}, it is
|
||
|
@emph{physically} stored as an @ndimspad{} array, where the last
|
||
|
dimension has been @emph{padded} to make it the same size as the
|
||
|
complex output. This is much like the in-place serial r2c/c2r
|
||
|
interface (@pxref{Multi-Dimensional DFTs of Real Data}), except that
|
||
|
in MPI the padding is required even for out-of-place data. The extra
|
||
|
padding numbers are ignored by FFTW (they are @emph{not} like
|
||
|
zero-padding the transform to a larger size); they are only used to
|
||
|
determine the data layout.
|
||
|
|
||
|
@item
|
||
|
@cindex data distribution
|
||
|
The data distribution in MPI for @emph{both} the real and complex data
|
||
|
is determined by the shape of the @emph{complex} data. That is, you
|
||
|
call the appropriate @samp{local size} function for the @ndimshalf{}
|
||
|
complex data, and then use the @emph{same} distribution for the real
|
||
|
data except that the last complex dimension is replaced by a (padded)
|
||
|
real dimension of twice the length.
|
||
|
|
||
|
@end itemize
|
||
|
|
||
|
For example suppose we are performing an out-of-place r2c transform of
|
||
|
@threedims{L,M,N} real data [padded to @threedims{L,M,2(N/2+1)}],
|
||
|
resulting in @threedims{L,M,N/2+1} complex data. Similar to the
|
||
|
example in @ref{2d MPI example}, we might do something like:
|
||
|
|
||
|
@example
|
||
|
#include <fftw3-mpi.h>
|
||
|
|
||
|
int main(int argc, char **argv)
|
||
|
@{
|
||
|
const ptrdiff_t L = ..., M = ..., N = ...;
|
||
|
fftw_plan plan;
|
||
|
double *rin;
|
||
|
fftw_complex *cout;
|
||
|
ptrdiff_t alloc_local, local_n0, local_0_start, i, j, k;
|
||
|
|
||
|
MPI_Init(&argc, &argv);
|
||
|
fftw_mpi_init();
|
||
|
|
||
|
/* @r{get local data size and allocate} */
|
||
|
alloc_local = fftw_mpi_local_size_3d(L, M, N/2+1, MPI_COMM_WORLD,
|
||
|
&local_n0, &local_0_start);
|
||
|
rin = fftw_alloc_real(2 * alloc_local);
|
||
|
cout = fftw_alloc_complex(alloc_local);
|
||
|
|
||
|
/* @r{create plan for out-of-place r2c DFT} */
|
||
|
plan = fftw_mpi_plan_dft_r2c_3d(L, M, N, rin, cout, MPI_COMM_WORLD,
|
||
|
FFTW_MEASURE);
|
||
|
|
||
|
/* @r{initialize rin to some function} my_func(x,y,z) */
|
||
|
for (i = 0; i < local_n0; ++i)
|
||
|
for (j = 0; j < M; ++j)
|
||
|
for (k = 0; k < N; ++k)
|
||
|
rin[(i*M + j) * (2*(N/2+1)) + k] = my_func(local_0_start+i, j, k);
|
||
|
|
||
|
/* @r{compute transforms as many times as desired} */
|
||
|
fftw_execute(plan);
|
||
|
|
||
|
fftw_destroy_plan(plan);
|
||
|
|
||
|
MPI_Finalize();
|
||
|
@}
|
||
|
@end example
|
||
|
|
||
|
@findex fftw_alloc_real
|
||
|
@cindex row-major
|
||
|
Note that we allocated @code{rin} using @code{fftw_alloc_real} with an
|
||
|
argument of @code{2 * alloc_local}: since @code{alloc_local} is the
|
||
|
number of @emph{complex} values to allocate, the number of @emph{real}
|
||
|
values is twice as many. The @code{rin} array is then
|
||
|
@threedims{local_n0,M,2(N/2+1)} in row-major order, so its
|
||
|
@code{(i,j,k)} element is at the index @code{(i*M + j) * (2*(N/2+1)) +
|
||
|
k} (@pxref{Multi-dimensional Array Format }).
|
||
|
|
||
|
@cindex transpose
|
||
|
@ctindex FFTW_TRANSPOSED_OUT
|
||
|
@ctindex FFTW_TRANSPOSED_IN
|
||
|
As for the complex transforms, improved performance can be obtained by
|
||
|
specifying that the output is the transpose of the input or vice versa
|
||
|
(@pxref{Transposed distributions}). In our @threedims{L,M,N} r2c
|
||
|
example, including @code{FFTW_TRANSPOSED_OUT} in the flags means that
|
||
|
the input would be a padded @threedims{L,M,2(N/2+1)} real array
|
||
|
distributed over the @code{L} dimension, while the output would be a
|
||
|
@threedims{M,L,N/2+1} complex array distributed over the @code{M}
|
||
|
dimension. To perform the inverse c2r transform with the same data
|
||
|
distributions, you would use the @code{FFTW_TRANSPOSED_IN} flag.
|
||
|
|
||
|
@c ------------------------------------------------------------
|
||
|
@node Other Multi-dimensional Real-data MPI Transforms, FFTW MPI Transposes, Multi-dimensional MPI DFTs of Real Data, Distributed-memory FFTW with MPI
|
||
|
@section Other multi-dimensional Real-Data MPI Transforms
|
||
|
|
||
|
@cindex r2r
|
||
|
FFTW's MPI interface also supports multi-dimensional @samp{r2r}
|
||
|
transforms of all kinds supported by the serial interface
|
||
|
(e.g. discrete cosine and sine transforms, discrete Hartley
|
||
|
transforms, etc.). Only multi-dimensional @samp{r2r} transforms, not
|
||
|
one-dimensional transforms, are currently parallelized.
|
||
|
|
||
|
@tindex fftw_r2r_kind
|
||
|
These are used much like the multidimensional complex DFTs discussed
|
||
|
above, except that the data is real rather than complex, and one needs
|
||
|
to pass an r2r transform kind (@code{fftw_r2r_kind}) for each
|
||
|
dimension as in the serial FFTW (@pxref{More DFTs of Real Data}).
|
||
|
|
||
|
For example, one might perform a two-dimensional @twodims{L,M} that is
|
||
|
an REDFT10 (DCT-II) in the first dimension and an RODFT10 (DST-II) in
|
||
|
the second dimension with code like:
|
||
|
|
||
|
@example
|
||
|
const ptrdiff_t L = ..., M = ...;
|
||
|
fftw_plan plan;
|
||
|
double *data;
|
||
|
ptrdiff_t alloc_local, local_n0, local_0_start, i, j;
|
||
|
|
||
|
/* @r{get local data size and allocate} */
|
||
|
alloc_local = fftw_mpi_local_size_2d(L, M, MPI_COMM_WORLD,
|
||
|
&local_n0, &local_0_start);
|
||
|
data = fftw_alloc_real(alloc_local);
|
||
|
|
||
|
/* @r{create plan for in-place REDFT10 x RODFT10} */
|
||
|
plan = fftw_mpi_plan_r2r_2d(L, M, data, data, MPI_COMM_WORLD,
|
||
|
FFTW_REDFT10, FFTW_RODFT10, FFTW_MEASURE);
|
||
|
|
||
|
/* @r{initialize data to some function} my_function(x,y) */
|
||
|
for (i = 0; i < local_n0; ++i) for (j = 0; j < M; ++j)
|
||
|
data[i*M + j] = my_function(local_0_start + i, j);
|
||
|
|
||
|
/* @r{compute transforms, in-place, as many times as desired} */
|
||
|
fftw_execute(plan);
|
||
|
|
||
|
fftw_destroy_plan(plan);
|
||
|
@end example
|
||
|
|
||
|
@findex fftw_alloc_real
|
||
|
Notice that we use the same @samp{local_size} functions as we did for
|
||
|
complex data, only now we interpret the sizes in terms of real rather
|
||
|
than complex values, and correspondingly use @code{fftw_alloc_real}.
|
||
|
|
||
|
@c ------------------------------------------------------------
|
||
|
@node FFTW MPI Transposes, FFTW MPI Wisdom, Other Multi-dimensional Real-data MPI Transforms, Distributed-memory FFTW with MPI
|
||
|
@section FFTW MPI Transposes
|
||
|
@cindex transpose
|
||
|
|
||
|
The FFTW's MPI Fourier transforms rely on one or more @emph{global
|
||
|
transposition} step for their communications. For example, the
|
||
|
multidimensional transforms work by transforming along some
|
||
|
dimensions, then transposing to make the first dimension local and
|
||
|
transforming that, then transposing back. Because global
|
||
|
transposition of a block-distributed matrix has many other potential
|
||
|
uses besides FFTs, FFTW's transpose routines can be called directly,
|
||
|
as documented in this section.
|
||
|
|
||
|
@menu
|
||
|
* Basic distributed-transpose interface::
|
||
|
* Advanced distributed-transpose interface::
|
||
|
* An improved replacement for MPI_Alltoall::
|
||
|
@end menu
|
||
|
|
||
|
@node Basic distributed-transpose interface, Advanced distributed-transpose interface, FFTW MPI Transposes, FFTW MPI Transposes
|
||
|
@subsection Basic distributed-transpose interface
|
||
|
|
||
|
In particular, suppose that we have an @code{n0} by @code{n1} array in
|
||
|
row-major order, block-distributed across the @code{n0} dimension. To
|
||
|
transpose this into an @code{n1} by @code{n0} array block-distributed
|
||
|
across the @code{n1} dimension, we would create a plan by calling the
|
||
|
following function:
|
||
|
|
||
|
@example
|
||
|
fftw_plan fftw_mpi_plan_transpose(ptrdiff_t n0, ptrdiff_t n1,
|
||
|
double *in, double *out,
|
||
|
MPI_Comm comm, unsigned flags);
|
||
|
@end example
|
||
|
@findex fftw_mpi_plan_transpose
|
||
|
|
||
|
The input and output arrays (@code{in} and @code{out}) can be the
|
||
|
same. The transpose is actually executed by calling
|
||
|
@code{fftw_execute} on the plan, as usual.
|
||
|
@findex fftw_execute
|
||
|
|
||
|
|
||
|
The @code{flags} are the usual FFTW planner flags, but support
|
||
|
two additional flags: @code{FFTW_MPI_TRANSPOSED_OUT} and/or
|
||
|
@code{FFTW_MPI_TRANSPOSED_IN}. What these flags indicate, for
|
||
|
transpose plans, is that the output and/or input, respectively, are
|
||
|
@emph{locally} transposed. That is, on each process input data is
|
||
|
normally stored as a @code{local_n0} by @code{n1} array in row-major
|
||
|
order, but for an @code{FFTW_MPI_TRANSPOSED_IN} plan the input data is
|
||
|
stored as @code{n1} by @code{local_n0} in row-major order. Similarly,
|
||
|
@code{FFTW_MPI_TRANSPOSED_OUT} means that the output is @code{n0} by
|
||
|
@code{local_n1} instead of @code{local_n1} by @code{n0}.
|
||
|
@ctindex FFTW_MPI_TRANSPOSED_OUT
|
||
|
@ctindex FFTW_MPI_TRANSPOSED_IN
|
||
|
|
||
|
|
||
|
To determine the local size of the array on each process before and
|
||
|
after the transpose, as well as the amount of storage that must be
|
||
|
allocated, one should call @code{fftw_mpi_local_size_2d_transposed},
|
||
|
just as for a 2d DFT as described in the previous section:
|
||
|
@cindex data distribution
|
||
|
|
||
|
@example
|
||
|
ptrdiff_t fftw_mpi_local_size_2d_transposed
|
||
|
(ptrdiff_t n0, ptrdiff_t n1, MPI_Comm comm,
|
||
|
ptrdiff_t *local_n0, ptrdiff_t *local_0_start,
|
||
|
ptrdiff_t *local_n1, ptrdiff_t *local_1_start);
|
||
|
@end example
|
||
|
@findex fftw_mpi_local_size_2d_transposed
|
||
|
|
||
|
Again, the return value is the local storage to allocate, which in
|
||
|
this case is the number of @emph{real} (@code{double}) values rather
|
||
|
than complex numbers as in the previous examples.
|
||
|
|
||
|
@node Advanced distributed-transpose interface, An improved replacement for MPI_Alltoall, Basic distributed-transpose interface, FFTW MPI Transposes
|
||
|
@subsection Advanced distributed-transpose interface
|
||
|
|
||
|
The above routines are for a transpose of a matrix of numbers (of type
|
||
|
@code{double}), using FFTW's default block sizes. More generally, one
|
||
|
can perform transposes of @emph{tuples} of numbers, with
|
||
|
user-specified block sizes for the input and output:
|
||
|
|
||
|
@example
|
||
|
fftw_plan fftw_mpi_plan_many_transpose
|
||
|
(ptrdiff_t n0, ptrdiff_t n1, ptrdiff_t howmany,
|
||
|
ptrdiff_t block0, ptrdiff_t block1,
|
||
|
double *in, double *out, MPI_Comm comm, unsigned flags);
|
||
|
@end example
|
||
|
@findex fftw_mpi_plan_many_transpose
|
||
|
|
||
|
In this case, one is transposing an @code{n0} by @code{n1} matrix of
|
||
|
@code{howmany}-tuples (e.g. @code{howmany = 2} for complex numbers).
|
||
|
The input is distributed along the @code{n0} dimension with block size
|
||
|
@code{block0}, and the @code{n1} by @code{n0} output is distributed
|
||
|
along the @code{n1} dimension with block size @code{block1}. If
|
||
|
@code{FFTW_MPI_DEFAULT_BLOCK} (0) is passed for a block size then FFTW
|
||
|
uses its default block size. To get the local size of the data on
|
||
|
each process, you should then call @code{fftw_mpi_local_size_many_transposed}.
|
||
|
@ctindex FFTW_MPI_DEFAULT_BLOCK
|
||
|
@findex fftw_mpi_local_size_many_transposed
|
||
|
|
||
|
@node An improved replacement for MPI_Alltoall, , Advanced distributed-transpose interface, FFTW MPI Transposes
|
||
|
@subsection An improved replacement for MPI_Alltoall
|
||
|
|
||
|
We close this section by noting that FFTW's MPI transpose routines can
|
||
|
be thought of as a generalization for the @code{MPI_Alltoall} function
|
||
|
(albeit only for floating-point types), and in some circumstances can
|
||
|
function as an improved replacement.
|
||
|
@findex MPI_Alltoall
|
||
|
|
||
|
|
||
|
@code{MPI_Alltoall} is defined by the MPI standard as:
|
||
|
|
||
|
@example
|
||
|
int MPI_Alltoall(void *sendbuf, int sendcount, MPI_Datatype sendtype,
|
||
|
void *recvbuf, int recvcnt, MPI_Datatype recvtype,
|
||
|
MPI_Comm comm);
|
||
|
@end example
|
||
|
|
||
|
In particular, for @code{double*} arrays @code{in} and @code{out},
|
||
|
consider the call:
|
||
|
|
||
|
@example
|
||
|
MPI_Alltoall(in, howmany, MPI_DOUBLE, out, howmany MPI_DOUBLE, comm);
|
||
|
@end example
|
||
|
|
||
|
This is completely equivalent to:
|
||
|
|
||
|
@example
|
||
|
MPI_Comm_size(comm, &P);
|
||
|
plan = fftw_mpi_plan_many_transpose(P, P, howmany, 1, 1, in, out, comm, FFTW_ESTIMATE);
|
||
|
fftw_execute(plan);
|
||
|
fftw_destroy_plan(plan);
|
||
|
@end example
|
||
|
|
||
|
That is, computing a @twodims{P,P} transpose on @code{P} processes,
|
||
|
with a block size of 1, is just a standard all-to-all communication.
|
||
|
|
||
|
However, using the FFTW routine instead of @code{MPI_Alltoall} may
|
||
|
have certain advantages. First of all, FFTW's routine can operate
|
||
|
in-place (@code{in == out}) whereas @code{MPI_Alltoall} can only
|
||
|
operate out-of-place.
|
||
|
@cindex in-place
|
||
|
|
||
|
|
||
|
Second, even for out-of-place plans, FFTW's routine may be faster,
|
||
|
especially if you need to perform the all-to-all communication many
|
||
|
times and can afford to use @code{FFTW_MEASURE} or
|
||
|
@code{FFTW_PATIENT}. It should certainly be no slower, not including
|
||
|
the time to create the plan, since one of the possible algorithms that
|
||
|
FFTW uses for an out-of-place transpose @emph{is} simply to call
|
||
|
@code{MPI_Alltoall}. However, FFTW also considers several other
|
||
|
possible algorithms that, depending on your MPI implementation and
|
||
|
your hardware, may be faster.
|
||
|
@ctindex FFTW_MEASURE
|
||
|
@ctindex FFTW_PATIENT
|
||
|
|
||
|
@c ------------------------------------------------------------
|
||
|
@node FFTW MPI Wisdom, Avoiding MPI Deadlocks, FFTW MPI Transposes, Distributed-memory FFTW with MPI
|
||
|
@section FFTW MPI Wisdom
|
||
|
@cindex wisdom
|
||
|
@cindex saving plans to disk
|
||
|
|
||
|
FFTW's ``wisdom'' facility (@pxref{Words of Wisdom-Saving Plans}) can
|
||
|
be used to save MPI plans as well as to save uniprocessor plans.
|
||
|
However, for MPI there are several unavoidable complications.
|
||
|
|
||
|
@cindex MPI I/O
|
||
|
First, the MPI standard does not guarantee that every process can
|
||
|
perform file I/O (at least, not using C stdio routines)---in general,
|
||
|
we may only assume that process 0 is capable of I/O.@footnote{In fact,
|
||
|
even this assumption is not technically guaranteed by the standard,
|
||
|
although it seems to be universal in actual MPI implementations and is
|
||
|
widely assumed by MPI-using software. Technically, you need to query
|
||
|
the @code{MPI_IO} attribute of @code{MPI_COMM_WORLD} with
|
||
|
@code{MPI_Attr_get}. If this attribute is @code{MPI_PROC_NULL}, no
|
||
|
I/O is possible. If it is @code{MPI_ANY_SOURCE}, any process can
|
||
|
perform I/O. Otherwise, it is the rank of a process that can perform
|
||
|
I/O ... but since it is not guaranteed to yield the @emph{same} rank
|
||
|
on all processes, you have to do an @code{MPI_Allreduce} of some kind
|
||
|
if you want all processes to agree about which is going to do I/O.
|
||
|
And even then, the standard only guarantees that this process can
|
||
|
perform output, but not input. See e.g. @cite{Parallel Programming
|
||
|
with MPI} by P. S. Pacheco, section 8.1.3. Needless to say, in our
|
||
|
experience virtually no MPI programmers worry about this.} So, if we
|
||
|
want to export the wisdom from a single process to a file, we must
|
||
|
first export the wisdom to a string, then send it to process 0, then
|
||
|
write it to a file.
|
||
|
|
||
|
Second, in principle we may want to have separate wisdom for every
|
||
|
process, since in general the processes may run on different hardware
|
||
|
even for a single MPI program. However, in practice FFTW's MPI code
|
||
|
is designed for the case of homogeneous hardware (@pxref{Load
|
||
|
balancing}), and in this case it is convenient to use the same wisdom
|
||
|
for every process. Thus, we need a mechanism to synchronize the wisdom.
|
||
|
|
||
|
To address both of these problems, FFTW provides the following two
|
||
|
functions:
|
||
|
|
||
|
@example
|
||
|
void fftw_mpi_broadcast_wisdom(MPI_Comm comm);
|
||
|
void fftw_mpi_gather_wisdom(MPI_Comm comm);
|
||
|
@end example
|
||
|
@findex fftw_mpi_gather_wisdom
|
||
|
@findex fftw_mpi_broadcast_wisdom
|
||
|
|
||
|
Given a communicator @code{comm}, @code{fftw_mpi_broadcast_wisdom}
|
||
|
will broadcast the wisdom from process 0 to all other processes.
|
||
|
Conversely, @code{fftw_mpi_gather_wisdom} will collect wisdom from all
|
||
|
processes onto process 0. (If the plans created for the same problem
|
||
|
by different processes are not the same, @code{fftw_mpi_gather_wisdom}
|
||
|
will arbitrarily choose one of the plans.) Both of these functions
|
||
|
may result in suboptimal plans for different processes if the
|
||
|
processes are running on non-identical hardware. Both of these
|
||
|
functions are @emph{collective} calls, which means that they must be
|
||
|
executed by all processes in the communicator.
|
||
|
@cindex collective function
|
||
|
|
||
|
|
||
|
So, for example, a typical code snippet to import wisdom from a file
|
||
|
and use it on all processes would be:
|
||
|
|
||
|
@example
|
||
|
@{
|
||
|
int rank;
|
||
|
|
||
|
fftw_mpi_init();
|
||
|
MPI_Comm_rank(MPI_COMM_WORLD, &rank);
|
||
|
if (rank == 0) fftw_import_wisdom_from_filename("mywisdom");
|
||
|
fftw_mpi_broadcast_wisdom(MPI_COMM_WORLD);
|
||
|
@}
|
||
|
@end example
|
||
|
|
||
|
(Note that we must call @code{fftw_mpi_init} before importing any
|
||
|
wisdom that might contain MPI plans.) Similarly, a typical code
|
||
|
snippet to export wisdom from all processes to a file is:
|
||
|
@findex fftw_mpi_init
|
||
|
|
||
|
@example
|
||
|
@{
|
||
|
int rank;
|
||
|
|
||
|
fftw_mpi_gather_wisdom(MPI_COMM_WORLD);
|
||
|
MPI_Comm_rank(MPI_COMM_WORLD, &rank);
|
||
|
if (rank == 0) fftw_export_wisdom_to_filename("mywisdom");
|
||
|
@}
|
||
|
@end example
|
||
|
|
||
|
@c ------------------------------------------------------------
|
||
|
@node Avoiding MPI Deadlocks, FFTW MPI Performance Tips, FFTW MPI Wisdom, Distributed-memory FFTW with MPI
|
||
|
@section Avoiding MPI Deadlocks
|
||
|
@cindex deadlock
|
||
|
|
||
|
An MPI program can @emph{deadlock} if one process is waiting for a
|
||
|
message from another process that never gets sent. To avoid deadlocks
|
||
|
when using FFTW's MPI routines, it is important to know which
|
||
|
functions are @emph{collective}: that is, which functions must
|
||
|
@emph{always} be called in the @emph{same order} from @emph{every}
|
||
|
process in a given communicator. (For example, @code{MPI_Barrier} is
|
||
|
the canonical example of a collective function in the MPI standard.)
|
||
|
@cindex collective function
|
||
|
@findex MPI_Barrier
|
||
|
|
||
|
|
||
|
The functions in FFTW that are @emph{always} collective are: every
|
||
|
function beginning with @samp{fftw_mpi_plan}, as well as
|
||
|
@code{fftw_mpi_broadcast_wisdom} and @code{fftw_mpi_gather_wisdom}.
|
||
|
Also, the following functions from the ordinary FFTW interface are
|
||
|
collective when they are applied to a plan created by an
|
||
|
@samp{fftw_mpi_plan} function: @code{fftw_execute},
|
||
|
@code{fftw_destroy_plan}, and @code{fftw_flops}.
|
||
|
@findex fftw_execute
|
||
|
@findex fftw_destroy_plan
|
||
|
@findex fftw_flops
|
||
|
|
||
|
@c ------------------------------------------------------------
|
||
|
@node FFTW MPI Performance Tips, Combining MPI and Threads, Avoiding MPI Deadlocks, Distributed-memory FFTW with MPI
|
||
|
@section FFTW MPI Performance Tips
|
||
|
|
||
|
In this section, we collect a few tips on getting the best performance
|
||
|
out of FFTW's MPI transforms.
|
||
|
|
||
|
First, because of the 1d block distribution, FFTW's parallelization is
|
||
|
currently limited by the size of the first dimension.
|
||
|
(Multidimensional block distributions may be supported by a future
|
||
|
version.) More generally, you should ideally arrange the dimensions so
|
||
|
that FFTW can divide them equally among the processes. @xref{Load
|
||
|
balancing}.
|
||
|
@cindex block distribution
|
||
|
@cindex load balancing
|
||
|
|
||
|
|
||
|
Second, if it is not too inconvenient, you should consider working
|
||
|
with transposed output for multidimensional plans, as this saves a
|
||
|
considerable amount of communications. @xref{Transposed distributions}.
|
||
|
@cindex transpose
|
||
|
|
||
|
|
||
|
Third, the fastest choices are generally either an in-place transform
|
||
|
or an out-of-place transform with the @code{FFTW_DESTROY_INPUT} flag
|
||
|
(which allows the input array to be used as scratch space). In-place
|
||
|
is especially beneficial if the amount of data per process is large.
|
||
|
@ctindex FFTW_DESTROY_INPUT
|
||
|
|
||
|
|
||
|
Fourth, if you have multiple arrays to transform at once, rather than
|
||
|
calling FFTW's MPI transforms several times it usually seems to be
|
||
|
faster to interleave the data and use the advanced interface. (This
|
||
|
groups the communications together instead of requiring separate
|
||
|
messages for each transform.)
|
||
|
|
||
|
@c ------------------------------------------------------------
|
||
|
@node Combining MPI and Threads, FFTW MPI Reference, FFTW MPI Performance Tips, Distributed-memory FFTW with MPI
|
||
|
@section Combining MPI and Threads
|
||
|
@cindex threads
|
||
|
|
||
|
In certain cases, it may be advantageous to combine MPI
|
||
|
(distributed-memory) and threads (shared-memory) parallelization.
|
||
|
FFTW supports this, with certain caveats. For example, if you have a
|
||
|
cluster of 4-processor shared-memory nodes, you may want to use
|
||
|
threads within the nodes and MPI between the nodes, instead of MPI for
|
||
|
all parallelization.
|
||
|
|
||
|
In particular, it is possible to seamlessly combine the MPI FFTW
|
||
|
routines with the multi-threaded FFTW routines (@pxref{Multi-threaded
|
||
|
FFTW}). However, some care must be taken in the initialization code,
|
||
|
which should look something like this:
|
||
|
|
||
|
@example
|
||
|
int threads_ok;
|
||
|
|
||
|
int main(int argc, char **argv)
|
||
|
@{
|
||
|
int provided;
|
||
|
MPI_Init_thread(&argc, &argv, MPI_THREAD_FUNNELED, &provided);
|
||
|
threads_ok = provided >= MPI_THREAD_FUNNELED;
|
||
|
|
||
|
if (threads_ok) threads_ok = fftw_init_threads();
|
||
|
fftw_mpi_init();
|
||
|
|
||
|
...
|
||
|
if (threads_ok) fftw_plan_with_nthreads(...);
|
||
|
...
|
||
|
|
||
|
MPI_Finalize();
|
||
|
@}
|
||
|
@end example
|
||
|
@findex fftw_mpi_init
|
||
|
@findex fftw_init_threads
|
||
|
@findex fftw_plan_with_nthreads
|
||
|
|
||
|
First, note that instead of calling @code{MPI_Init}, you should call
|
||
|
@code{MPI_Init_threads}, which is the initialization routine defined
|
||
|
by the MPI-2 standard to indicate to MPI that your program will be
|
||
|
multithreaded. We pass @code{MPI_THREAD_FUNNELED}, which indicates
|
||
|
that we will only call MPI routines from the main thread. (FFTW will
|
||
|
launch additional threads internally, but the extra threads will not
|
||
|
call MPI code.) (You may also pass @code{MPI_THREAD_SERIALIZED} or
|
||
|
@code{MPI_THREAD_MULTIPLE}, which requests additional multithreading
|
||
|
support from the MPI implementation, but this is not required by
|
||
|
FFTW.) The @code{provided} parameter returns what level of threads
|
||
|
support is actually supported by your MPI implementation; this
|
||
|
@emph{must} be at least @code{MPI_THREAD_FUNNELED} if you want to call
|
||
|
the FFTW threads routines, so we define a global variable
|
||
|
@code{threads_ok} to record this. You should only call
|
||
|
@code{fftw_init_threads} or @code{fftw_plan_with_nthreads} if
|
||
|
@code{threads_ok} is true. For more information on thread safety in
|
||
|
MPI, see the
|
||
|
@uref{http://www.mpi-forum.org/docs/mpi-20-html/node162.htm, MPI and
|
||
|
Threads} section of the MPI-2 standard.
|
||
|
@cindex thread safety
|
||
|
|
||
|
|
||
|
Second, we must call @code{fftw_init_threads} @emph{before}
|
||
|
@code{fftw_mpi_init}. This is critical for technical reasons having
|
||
|
to do with how FFTW initializes its list of algorithms.
|
||
|
|
||
|
Then, if you call @code{fftw_plan_with_nthreads(N)}, @emph{every} MPI
|
||
|
process will launch (up to) @code{N} threads to parallelize its transforms.
|
||
|
|
||
|
For example, in the hypothetical cluster of 4-processor nodes, you
|
||
|
might wish to launch only a single MPI process per node, and then call
|
||
|
@code{fftw_plan_with_nthreads(4)} on each process to use all
|
||
|
processors in the nodes.
|
||
|
|
||
|
This may or may not be faster than simply using as many MPI processes
|
||
|
as you have processors, however. On the one hand, using threads
|
||
|
within a node eliminates the need for explicit message passing within
|
||
|
the node. On the other hand, FFTW's transpose routines are not
|
||
|
multi-threaded, and this means that the communications that do take
|
||
|
place will not benefit from parallelization within the node.
|
||
|
Moreover, many MPI implementations already have optimizations to
|
||
|
exploit shared memory when it is available, so adding the
|
||
|
multithreaded FFTW on top of this may be superfluous.
|
||
|
@cindex transpose
|
||
|
|
||
|
@c ------------------------------------------------------------
|
||
|
@node FFTW MPI Reference, FFTW MPI Fortran Interface, Combining MPI and Threads, Distributed-memory FFTW with MPI
|
||
|
@section FFTW MPI Reference
|
||
|
|
||
|
This chapter provides a complete reference to all FFTW MPI functions,
|
||
|
datatypes, and constants. See also @ref{FFTW Reference} for information
|
||
|
on functions and types in common with the serial interface.
|
||
|
|
||
|
@menu
|
||
|
* MPI Files and Data Types::
|
||
|
* MPI Initialization::
|
||
|
* Using MPI Plans::
|
||
|
* MPI Data Distribution Functions::
|
||
|
* MPI Plan Creation::
|
||
|
* MPI Wisdom Communication::
|
||
|
@end menu
|
||
|
|
||
|
@node MPI Files and Data Types, MPI Initialization, FFTW MPI Reference, FFTW MPI Reference
|
||
|
@subsection MPI Files and Data Types
|
||
|
|
||
|
All programs using FFTW's MPI support should include its header file:
|
||
|
|
||
|
@example
|
||
|
#include <fftw3-mpi.h>
|
||
|
@end example
|
||
|
|
||
|
Note that this header file includes the serial-FFTW @code{fftw3.h}
|
||
|
header file, and also the @code{mpi.h} header file for MPI, so you
|
||
|
need not include those files separately.
|
||
|
|
||
|
You must also link to @emph{both} the FFTW MPI library and to the
|
||
|
serial FFTW library. On Unix, this means adding @code{-lfftw3_mpi
|
||
|
-lfftw3 -lm} at the end of the link command.
|
||
|
|
||
|
@cindex precision
|
||
|
Different precisions are handled as in the serial interface:
|
||
|
@xref{Precision}. That is, @samp{fftw_} functions become
|
||
|
@code{fftwf_} (in single precision) etcetera, and the libraries become
|
||
|
@code{-lfftw3f_mpi -lfftw3f -lm} etcetera on Unix. Long-double
|
||
|
precision is supported in MPI, but quad precision (@samp{fftwq_}) is
|
||
|
not due to the lack of MPI support for this type.
|
||
|
|
||
|
@node MPI Initialization, Using MPI Plans, MPI Files and Data Types, FFTW MPI Reference
|
||
|
@subsection MPI Initialization
|
||
|
|
||
|
Before calling any other FFTW MPI (@samp{fftw_mpi_}) function, and
|
||
|
before importing any wisdom for MPI problems, you must call:
|
||
|
|
||
|
@findex fftw_mpi_init
|
||
|
@example
|
||
|
void fftw_mpi_init(void);
|
||
|
@end example
|
||
|
|
||
|
@findex fftw_init_threads
|
||
|
If FFTW threads support is used, however, @code{fftw_mpi_init} should
|
||
|
be called @emph{after} @code{fftw_init_threads} (@pxref{Combining MPI
|
||
|
and Threads}). Calling @code{fftw_mpi_init} additional times (before
|
||
|
@code{fftw_mpi_cleanup}) has no effect.
|
||
|
|
||
|
|
||
|
If you want to deallocate all persistent data and reset FFTW to the
|
||
|
pristine state it was in when you started your program, you can call:
|
||
|
|
||
|
@findex fftw_mpi_cleanup
|
||
|
@example
|
||
|
void fftw_mpi_cleanup(void);
|
||
|
@end example
|
||
|
|
||
|
@findex fftw_cleanup
|
||
|
(This calls @code{fftw_cleanup}, so you need not call the serial
|
||
|
cleanup routine too, although it is safe to do so.) After calling
|
||
|
@code{fftw_mpi_cleanup}, all existing plans become undefined, and you
|
||
|
should not attempt to execute or destroy them. You must call
|
||
|
@code{fftw_mpi_init} again after @code{fftw_mpi_cleanup} if you want
|
||
|
to resume using the MPI FFTW routines.
|
||
|
|
||
|
@node Using MPI Plans, MPI Data Distribution Functions, MPI Initialization, FFTW MPI Reference
|
||
|
@subsection Using MPI Plans
|
||
|
|
||
|
Once an MPI plan is created, you can execute and destroy it using
|
||
|
@code{fftw_execute}, @code{fftw_destroy_plan}, and the other functions
|
||
|
in the serial interface that operate on generic plans (@pxref{Using
|
||
|
Plans}).
|
||
|
|
||
|
@cindex collective function
|
||
|
@cindex MPI communicator
|
||
|
The @code{fftw_execute} and @code{fftw_destroy_plan} functions, applied to
|
||
|
MPI plans, are @emph{collective} calls: they must be called for all processes
|
||
|
in the communicator that was used to create the plan.
|
||
|
|
||
|
@cindex new-array execution
|
||
|
You must @emph{not} use the serial new-array plan-execution functions
|
||
|
@code{fftw_execute_dft} and so on (@pxref{New-array Execute
|
||
|
Functions}) with MPI plans. Such functions are specialized to the
|
||
|
problem type, and there are specific new-array execute functions for MPI plans:
|
||
|
|
||
|
@findex fftw_mpi_execute_dft
|
||
|
@findex fftw_mpi_execute_dft_r2c
|
||
|
@findex fftw_mpi_execute_dft_c2r
|
||
|
@findex fftw_mpi_execute_r2r
|
||
|
@example
|
||
|
void fftw_mpi_execute_dft(fftw_plan p, fftw_complex *in, fftw_complex *out);
|
||
|
void fftw_mpi_execute_dft_r2c(fftw_plan p, double *in, fftw_complex *out);
|
||
|
void fftw_mpi_execute_dft_c2r(fftw_plan p, fftw_complex *in, double *out);
|
||
|
void fftw_mpi_execute_r2r(fftw_plan p, double *in, double *out);
|
||
|
@end example
|
||
|
|
||
|
@cindex alignment
|
||
|
@findex fftw_malloc
|
||
|
These functions have the same restrictions as those of the serial
|
||
|
new-array execute functions. They are @emph{always} safe to apply to
|
||
|
the @emph{same} @code{in} and @code{out} arrays that were used to
|
||
|
create the plan. They can only be applied to new arrarys if those
|
||
|
arrays have the same types, dimensions, in-placeness, and alignment as
|
||
|
the original arrays, where the best way to ensure the same alignment
|
||
|
is to use FFTW's @code{fftw_malloc} and related allocation functions
|
||
|
for all arrays (@pxref{Memory Allocation}). Note that distributed
|
||
|
transposes (@pxref{FFTW MPI Transposes}) use
|
||
|
@code{fftw_mpi_execute_r2r}, since they count as rank-zero r2r plans
|
||
|
from FFTW's perspective.
|
||
|
|
||
|
@node MPI Data Distribution Functions, MPI Plan Creation, Using MPI Plans, FFTW MPI Reference
|
||
|
@subsection MPI Data Distribution Functions
|
||
|
|
||
|
@cindex data distribution
|
||
|
As described above (@pxref{MPI Data Distribution}), in order to
|
||
|
allocate your arrays, @emph{before} creating a plan, you must first
|
||
|
call one of the following routines to determine the required
|
||
|
allocation size and the portion of the array locally stored on a given
|
||
|
process. The @code{MPI_Comm} communicator passed here must be
|
||
|
equivalent to the communicator used below for plan creation.
|
||
|
|
||
|
The basic interface for multidimensional transforms consists of the
|
||
|
functions:
|
||
|
|
||
|
@findex fftw_mpi_local_size_2d
|
||
|
@findex fftw_mpi_local_size_3d
|
||
|
@findex fftw_mpi_local_size
|
||
|
@findex fftw_mpi_local_size_2d_transposed
|
||
|
@findex fftw_mpi_local_size_3d_transposed
|
||
|
@findex fftw_mpi_local_size_transposed
|
||
|
@example
|
||
|
ptrdiff_t fftw_mpi_local_size_2d(ptrdiff_t n0, ptrdiff_t n1, MPI_Comm comm,
|
||
|
ptrdiff_t *local_n0, ptrdiff_t *local_0_start);
|
||
|
ptrdiff_t fftw_mpi_local_size_3d(ptrdiff_t n0, ptrdiff_t n1, ptrdiff_t n2,
|
||
|
MPI_Comm comm,
|
||
|
ptrdiff_t *local_n0, ptrdiff_t *local_0_start);
|
||
|
ptrdiff_t fftw_mpi_local_size(int rnk, const ptrdiff_t *n, MPI_Comm comm,
|
||
|
ptrdiff_t *local_n0, ptrdiff_t *local_0_start);
|
||
|
|
||
|
ptrdiff_t fftw_mpi_local_size_2d_transposed(ptrdiff_t n0, ptrdiff_t n1, MPI_Comm comm,
|
||
|
ptrdiff_t *local_n0, ptrdiff_t *local_0_start,
|
||
|
ptrdiff_t *local_n1, ptrdiff_t *local_1_start);
|
||
|
ptrdiff_t fftw_mpi_local_size_3d_transposed(ptrdiff_t n0, ptrdiff_t n1, ptrdiff_t n2,
|
||
|
MPI_Comm comm,
|
||
|
ptrdiff_t *local_n0, ptrdiff_t *local_0_start,
|
||
|
ptrdiff_t *local_n1, ptrdiff_t *local_1_start);
|
||
|
ptrdiff_t fftw_mpi_local_size_transposed(int rnk, const ptrdiff_t *n, MPI_Comm comm,
|
||
|
ptrdiff_t *local_n0, ptrdiff_t *local_0_start,
|
||
|
ptrdiff_t *local_n1, ptrdiff_t *local_1_start);
|
||
|
@end example
|
||
|
|
||
|
These functions return the number of elements to allocate (complex
|
||
|
numbers for DFT/r2c/c2r plans, real numbers for r2r plans), whereas
|
||
|
the @code{local_n0} and @code{local_0_start} return the portion
|
||
|
(@code{local_0_start} to @code{local_0_start + local_n0 - 1}) of the
|
||
|
first dimension of an @ndims{} array that is stored on the local
|
||
|
process. @xref{Basic and advanced distribution interfaces}. For
|
||
|
@code{FFTW_MPI_TRANSPOSED_OUT} plans, the @samp{_transposed} variants
|
||
|
are useful in order to also return the local portion of the first
|
||
|
dimension in the @ndimstrans{} transposed output.
|
||
|
@xref{Transposed distributions}.
|
||
|
The advanced interface for multidimensional transforms is:
|
||
|
|
||
|
@cindex advanced interface
|
||
|
@findex fftw_mpi_local_size_many
|
||
|
@findex fftw_mpi_local_size_many_transposed
|
||
|
@example
|
||
|
ptrdiff_t fftw_mpi_local_size_many(int rnk, const ptrdiff_t *n, ptrdiff_t howmany,
|
||
|
ptrdiff_t block0, MPI_Comm comm,
|
||
|
ptrdiff_t *local_n0, ptrdiff_t *local_0_start);
|
||
|
ptrdiff_t fftw_mpi_local_size_many_transposed(int rnk, const ptrdiff_t *n, ptrdiff_t howmany,
|
||
|
ptrdiff_t block0, ptrdiff_t block1, MPI_Comm comm,
|
||
|
ptrdiff_t *local_n0, ptrdiff_t *local_0_start,
|
||
|
ptrdiff_t *local_n1, ptrdiff_t *local_1_start);
|
||
|
@end example
|
||
|
|
||
|
These differ from the basic interface in only two ways. First, they
|
||
|
allow you to specify block sizes @code{block0} and @code{block1} (the
|
||
|
latter for the transposed output); you can pass
|
||
|
@code{FFTW_MPI_DEFAULT_BLOCK} to use FFTW's default block size as in
|
||
|
the basic interface. Second, you can pass a @code{howmany} parameter,
|
||
|
corresponding to the advanced planning interface below: this is for
|
||
|
transforms of contiguous @code{howmany}-tuples of numbers
|
||
|
(@code{howmany = 1} in the basic interface).
|
||
|
|
||
|
The corresponding basic and advanced routines for one-dimensional
|
||
|
transforms (currently only complex DFTs) are:
|
||
|
|
||
|
@findex fftw_mpi_local_size_1d
|
||
|
@findex fftw_mpi_local_size_many_1d
|
||
|
@example
|
||
|
ptrdiff_t fftw_mpi_local_size_1d(
|
||
|
ptrdiff_t n0, MPI_Comm comm, int sign, unsigned flags,
|
||
|
ptrdiff_t *local_ni, ptrdiff_t *local_i_start,
|
||
|
ptrdiff_t *local_no, ptrdiff_t *local_o_start);
|
||
|
ptrdiff_t fftw_mpi_local_size_many_1d(
|
||
|
ptrdiff_t n0, ptrdiff_t howmany,
|
||
|
MPI_Comm comm, int sign, unsigned flags,
|
||
|
ptrdiff_t *local_ni, ptrdiff_t *local_i_start,
|
||
|
ptrdiff_t *local_no, ptrdiff_t *local_o_start);
|
||
|
@end example
|
||
|
|
||
|
@ctindex FFTW_MPI_SCRAMBLED_OUT
|
||
|
@ctindex FFTW_MPI_SCRAMBLED_IN
|
||
|
As above, the return value is the number of elements to allocate
|
||
|
(complex numbers, for complex DFTs). The @code{local_ni} and
|
||
|
@code{local_i_start} arguments return the portion
|
||
|
(@code{local_i_start} to @code{local_i_start + local_ni - 1}) of the
|
||
|
1d array that is stored on this process for the transform
|
||
|
@emph{input}, and @code{local_no} and @code{local_o_start} are the
|
||
|
corresponding quantities for the input. The @code{sign}
|
||
|
(@code{FFTW_FORWARD} or @code{FFTW_BACKWARD}) and @code{flags} must
|
||
|
match the arguments passed when creating a plan. Although the inputs
|
||
|
and outputs have different data distributions in general, it is
|
||
|
guaranteed that the @emph{output} data distribution of an
|
||
|
@code{FFTW_FORWARD} plan will match the @emph{input} data distribution
|
||
|
of an @code{FFTW_BACKWARD} plan and vice versa; similarly for the
|
||
|
@code{FFTW_MPI_SCRAMBLED_OUT} and @code{FFTW_MPI_SCRAMBLED_IN} flags.
|
||
|
@xref{One-dimensional distributions}.
|
||
|
|
||
|
@node MPI Plan Creation, MPI Wisdom Communication, MPI Data Distribution Functions, FFTW MPI Reference
|
||
|
@subsection MPI Plan Creation
|
||
|
|
||
|
@subsubheading Complex-data MPI DFTs
|
||
|
|
||
|
Plans for complex-data DFTs (@pxref{2d MPI example}) are created by:
|
||
|
|
||
|
@findex fftw_mpi_plan_dft_1d
|
||
|
@findex fftw_mpi_plan_dft_2d
|
||
|
@findex fftw_mpi_plan_dft_3d
|
||
|
@findex fftw_mpi_plan_dft
|
||
|
@findex fftw_mpi_plan_many_dft
|
||
|
@example
|
||
|
fftw_plan fftw_mpi_plan_dft_1d(ptrdiff_t n0, fftw_complex *in, fftw_complex *out,
|
||
|
MPI_Comm comm, int sign, unsigned flags);
|
||
|
fftw_plan fftw_mpi_plan_dft_2d(ptrdiff_t n0, ptrdiff_t n1,
|
||
|
fftw_complex *in, fftw_complex *out,
|
||
|
MPI_Comm comm, int sign, unsigned flags);
|
||
|
fftw_plan fftw_mpi_plan_dft_3d(ptrdiff_t n0, ptrdiff_t n1, ptrdiff_t n2,
|
||
|
fftw_complex *in, fftw_complex *out,
|
||
|
MPI_Comm comm, int sign, unsigned flags);
|
||
|
fftw_plan fftw_mpi_plan_dft(int rnk, const ptrdiff_t *n,
|
||
|
fftw_complex *in, fftw_complex *out,
|
||
|
MPI_Comm comm, int sign, unsigned flags);
|
||
|
fftw_plan fftw_mpi_plan_many_dft(int rnk, const ptrdiff_t *n,
|
||
|
ptrdiff_t howmany, ptrdiff_t block, ptrdiff_t tblock,
|
||
|
fftw_complex *in, fftw_complex *out,
|
||
|
MPI_Comm comm, int sign, unsigned flags);
|
||
|
@end example
|
||
|
|
||
|
@cindex MPI communicator
|
||
|
@cindex collective function
|
||
|
These are similar to their serial counterparts (@pxref{Complex DFTs})
|
||
|
in specifying the dimensions, sign, and flags of the transform. The
|
||
|
@code{comm} argument gives an MPI communicator that specifies the set
|
||
|
of processes to participate in the transform; plan creation is a
|
||
|
collective function that must be called for all processes in the
|
||
|
communicator. The @code{in} and @code{out} pointers refer only to a
|
||
|
portion of the overall transform data (@pxref{MPI Data Distribution})
|
||
|
as specified by the @samp{local_size} functions in the previous
|
||
|
section. Unless @code{flags} contains @code{FFTW_ESTIMATE}, these
|
||
|
arrays are overwritten during plan creation as for the serial
|
||
|
interface. For multi-dimensional transforms, any dimensions @code{>
|
||
|
1} are supported; for one-dimensional transforms, only composite
|
||
|
(non-prime) @code{n0} are currently supported (unlike the serial
|
||
|
FFTW). Requesting an unsupported transform size will yield a
|
||
|
@code{NULL} plan. (As in the serial interface, highly composite sizes
|
||
|
generally yield the best performance.)
|
||
|
|
||
|
@cindex advanced interface
|
||
|
@ctindex FFTW_MPI_DEFAULT_BLOCK
|
||
|
@cindex stride
|
||
|
The advanced-interface @code{fftw_mpi_plan_many_dft} additionally
|
||
|
allows you to specify the block sizes for the first dimension
|
||
|
(@code{block}) of the @ndims{} input data and the first dimension
|
||
|
(@code{tblock}) of the @ndimstrans{} transposed data (at intermediate
|
||
|
steps of the transform, and for the output if
|
||
|
@code{FFTW_TRANSPOSED_OUT} is specified in @code{flags}). These must
|
||
|
be the same block sizes as were passed to the corresponding
|
||
|
@samp{local_size} function; you can pass @code{FFTW_MPI_DEFAULT_BLOCK}
|
||
|
to use FFTW's default block size as in the basic interface. Also, the
|
||
|
@code{howmany} parameter specifies that the transform is of contiguous
|
||
|
@code{howmany}-tuples rather than individual complex numbers; this
|
||
|
corresponds to the same parameter in the serial advanced interface
|
||
|
(@pxref{Advanced Complex DFTs}) with @code{stride = howmany} and
|
||
|
@code{dist = 1}.
|
||
|
|
||
|
@subsubheading MPI flags
|
||
|
|
||
|
The @code{flags} can be any of those for the serial FFTW
|
||
|
(@pxref{Planner Flags}), and in addition may include one or more of
|
||
|
the following MPI-specific flags, which improve performance at the
|
||
|
cost of changing the output or input data formats.
|
||
|
|
||
|
@itemize @bullet
|
||
|
|
||
|
@item
|
||
|
@ctindex FFTW_MPI_SCRAMBLED_OUT
|
||
|
@ctindex FFTW_MPI_SCRAMBLED_IN
|
||
|
@code{FFTW_MPI_SCRAMBLED_OUT}, @code{FFTW_MPI_SCRAMBLED_IN}: valid for
|
||
|
1d transforms only, these flags indicate that the output/input of the
|
||
|
transform are in an undocumented ``scrambled'' order. A forward
|
||
|
@code{FFTW_MPI_SCRAMBLED_OUT} transform can be inverted by a backward
|
||
|
@code{FFTW_MPI_SCRAMBLED_IN} (times the usual 1/@i{N} normalization).
|
||
|
@xref{One-dimensional distributions}.
|
||
|
|
||
|
@item
|
||
|
@ctindex FFTW_MPI_TRANSPOSED_OUT
|
||
|
@ctindex FFTW_MPI_TRANSPOSED_IN
|
||
|
@code{FFTW_MPI_TRANSPOSED_OUT}, @code{FFTW_MPI_TRANSPOSED_IN}: valid
|
||
|
for multidimensional (@code{rnk > 1}) transforms only, these flags
|
||
|
specify that the output or input of an @ndims{} transform is
|
||
|
transposed to @ndimstrans{}. @xref{Transposed distributions}.
|
||
|
|
||
|
@end itemize
|
||
|
|
||
|
@subsubheading Real-data MPI DFTs
|
||
|
|
||
|
@cindex r2c
|
||
|
Plans for real-input/output (r2c/c2r) DFTs (@pxref{Multi-dimensional
|
||
|
MPI DFTs of Real Data}) are created by:
|
||
|
|
||
|
@findex fftw_mpi_plan_dft_r2c_2d
|
||
|
@findex fftw_mpi_plan_dft_r2c_2d
|
||
|
@findex fftw_mpi_plan_dft_r2c_3d
|
||
|
@findex fftw_mpi_plan_dft_r2c
|
||
|
@findex fftw_mpi_plan_dft_c2r_2d
|
||
|
@findex fftw_mpi_plan_dft_c2r_2d
|
||
|
@findex fftw_mpi_plan_dft_c2r_3d
|
||
|
@findex fftw_mpi_plan_dft_c2r
|
||
|
@example
|
||
|
fftw_plan fftw_mpi_plan_dft_r2c_2d(ptrdiff_t n0, ptrdiff_t n1,
|
||
|
double *in, fftw_complex *out,
|
||
|
MPI_Comm comm, unsigned flags);
|
||
|
fftw_plan fftw_mpi_plan_dft_r2c_2d(ptrdiff_t n0, ptrdiff_t n1,
|
||
|
double *in, fftw_complex *out,
|
||
|
MPI_Comm comm, unsigned flags);
|
||
|
fftw_plan fftw_mpi_plan_dft_r2c_3d(ptrdiff_t n0, ptrdiff_t n1, ptrdiff_t n2,
|
||
|
double *in, fftw_complex *out,
|
||
|
MPI_Comm comm, unsigned flags);
|
||
|
fftw_plan fftw_mpi_plan_dft_r2c(int rnk, const ptrdiff_t *n,
|
||
|
double *in, fftw_complex *out,
|
||
|
MPI_Comm comm, unsigned flags);
|
||
|
fftw_plan fftw_mpi_plan_dft_c2r_2d(ptrdiff_t n0, ptrdiff_t n1,
|
||
|
fftw_complex *in, double *out,
|
||
|
MPI_Comm comm, unsigned flags);
|
||
|
fftw_plan fftw_mpi_plan_dft_c2r_2d(ptrdiff_t n0, ptrdiff_t n1,
|
||
|
fftw_complex *in, double *out,
|
||
|
MPI_Comm comm, unsigned flags);
|
||
|
fftw_plan fftw_mpi_plan_dft_c2r_3d(ptrdiff_t n0, ptrdiff_t n1, ptrdiff_t n2,
|
||
|
fftw_complex *in, double *out,
|
||
|
MPI_Comm comm, unsigned flags);
|
||
|
fftw_plan fftw_mpi_plan_dft_c2r(int rnk, const ptrdiff_t *n,
|
||
|
fftw_complex *in, double *out,
|
||
|
MPI_Comm comm, unsigned flags);
|
||
|
@end example
|
||
|
|
||
|
Similar to the serial interface (@pxref{Real-data DFTs}), these
|
||
|
transform logically @ndims{} real data to/from @ndimshalf{} complex
|
||
|
data, representing the non-redundant half of the conjugate-symmetry
|
||
|
output of a real-input DFT (@pxref{Multi-dimensional Transforms}).
|
||
|
However, the real array must be stored within a padded @ndimspad{}
|
||
|
array (much like the in-place serial r2c transforms, but here for
|
||
|
out-of-place transforms as well). Currently, only multi-dimensional
|
||
|
(@code{rnk > 1}) r2c/c2r transforms are supported (requesting a plan
|
||
|
for @code{rnk = 1} will yield @code{NULL}). As explained above
|
||
|
(@pxref{Multi-dimensional MPI DFTs of Real Data}), the data
|
||
|
distribution of both the real and complex arrays is given by the
|
||
|
@samp{local_size} function called for the dimensions of the
|
||
|
@emph{complex} array. Similar to the other planning functions, the
|
||
|
input and output arrays are overwritten when the plan is created
|
||
|
except in @code{FFTW_ESTIMATE} mode.
|
||
|
|
||
|
As for the complex DFTs above, there is an advance interface that
|
||
|
allows you to manually specify block sizes and to transform contiguous
|
||
|
@code{howmany}-tuples of real/complex numbers:
|
||
|
|
||
|
@findex fftw_mpi_plan_many_dft_r2c
|
||
|
@findex fftw_mpi_plan_many_dft_c2r
|
||
|
@example
|
||
|
fftw_plan fftw_mpi_plan_many_dft_r2c
|
||
|
(int rnk, const ptrdiff_t *n, ptrdiff_t howmany,
|
||
|
ptrdiff_t iblock, ptrdiff_t oblock,
|
||
|
double *in, fftw_complex *out,
|
||
|
MPI_Comm comm, unsigned flags);
|
||
|
fftw_plan fftw_mpi_plan_many_dft_c2r
|
||
|
(int rnk, const ptrdiff_t *n, ptrdiff_t howmany,
|
||
|
ptrdiff_t iblock, ptrdiff_t oblock,
|
||
|
fftw_complex *in, double *out,
|
||
|
MPI_Comm comm, unsigned flags);
|
||
|
@end example
|
||
|
|
||
|
@subsubheading MPI r2r transforms
|
||
|
|
||
|
@cindex r2r
|
||
|
There are corresponding plan-creation routines for r2r
|
||
|
transforms (@pxref{More DFTs of Real Data}), currently supporting
|
||
|
multidimensional (@code{rnk > 1}) transforms only (@code{rnk = 1} will
|
||
|
yield a @code{NULL} plan):
|
||
|
|
||
|
@example
|
||
|
fftw_plan fftw_mpi_plan_r2r_2d(ptrdiff_t n0, ptrdiff_t n1,
|
||
|
double *in, double *out,
|
||
|
MPI_Comm comm,
|
||
|
fftw_r2r_kind kind0, fftw_r2r_kind kind1,
|
||
|
unsigned flags);
|
||
|
fftw_plan fftw_mpi_plan_r2r_3d(ptrdiff_t n0, ptrdiff_t n1, ptrdiff_t n2,
|
||
|
double *in, double *out,
|
||
|
MPI_Comm comm,
|
||
|
fftw_r2r_kind kind0, fftw_r2r_kind kind1, fftw_r2r_kind kind2,
|
||
|
unsigned flags);
|
||
|
fftw_plan fftw_mpi_plan_r2r(int rnk, const ptrdiff_t *n,
|
||
|
double *in, double *out,
|
||
|
MPI_Comm comm, const fftw_r2r_kind *kind,
|
||
|
unsigned flags);
|
||
|
fftw_plan fftw_mpi_plan_many_r2r(int rnk, const ptrdiff_t *n,
|
||
|
ptrdiff_t iblock, ptrdiff_t oblock,
|
||
|
double *in, double *out,
|
||
|
MPI_Comm comm, const fftw_r2r_kind *kind,
|
||
|
unsigned flags);
|
||
|
@end example
|
||
|
|
||
|
The parameters are much the same as for the complex DFTs above, except
|
||
|
that the arrays are of real numbers (and hence the outputs of the
|
||
|
@samp{local_size} data-distribution functions should be interpreted as
|
||
|
counts of real rather than complex numbers). Also, the @code{kind}
|
||
|
parameters specify the r2r kinds along each dimension as for the
|
||
|
serial interface (@pxref{Real-to-Real Transform Kinds}). @xref{Other
|
||
|
Multi-dimensional Real-data MPI Transforms}.
|
||
|
|
||
|
@subsubheading MPI transposition
|
||
|
@cindex transpose
|
||
|
|
||
|
FFTW also provides routines to plan a transpose of a distributed
|
||
|
@code{n0} by @code{n1} array of real numbers, or an array of
|
||
|
@code{howmany}-tuples of real numbers with specified block sizes
|
||
|
(@pxref{FFTW MPI Transposes}):
|
||
|
|
||
|
@findex fftw_mpi_plan_transpose
|
||
|
@findex fftw_mpi_plan_many_transpose
|
||
|
@example
|
||
|
fftw_plan fftw_mpi_plan_transpose(ptrdiff_t n0, ptrdiff_t n1,
|
||
|
double *in, double *out,
|
||
|
MPI_Comm comm, unsigned flags);
|
||
|
fftw_plan fftw_mpi_plan_many_transpose
|
||
|
(ptrdiff_t n0, ptrdiff_t n1, ptrdiff_t howmany,
|
||
|
ptrdiff_t block0, ptrdiff_t block1,
|
||
|
double *in, double *out, MPI_Comm comm, unsigned flags);
|
||
|
@end example
|
||
|
|
||
|
@cindex new-array execution
|
||
|
@findex fftw_mpi_execute_r2r
|
||
|
These plans are used with the @code{fftw_mpi_execute_r2r} new-array
|
||
|
execute function (@pxref{Using MPI Plans }), since they count as (rank
|
||
|
zero) r2r plans from FFTW's perspective.
|
||
|
|
||
|
@node MPI Wisdom Communication, , MPI Plan Creation, FFTW MPI Reference
|
||
|
@subsection MPI Wisdom Communication
|
||
|
|
||
|
To facilitate synchronizing wisdom among the different MPI processes,
|
||
|
we provide two functions:
|
||
|
|
||
|
@findex fftw_mpi_gather_wisdom
|
||
|
@findex fftw_mpi_broadcast_wisdom
|
||
|
@example
|
||
|
void fftw_mpi_gather_wisdom(MPI_Comm comm);
|
||
|
void fftw_mpi_broadcast_wisdom(MPI_Comm comm);
|
||
|
@end example
|
||
|
|
||
|
The @code{fftw_mpi_gather_wisdom} function gathers all wisdom in the
|
||
|
given communicator @code{comm} to the process of rank 0 in the
|
||
|
communicator: that process obtains the union of all wisdom on all the
|
||
|
processes. As a side effect, some other processes will gain
|
||
|
additional wisdom from other processes, but only process 0 will gain
|
||
|
the complete union.
|
||
|
|
||
|
The @code{fftw_mpi_broadcast_wisdom} does the reverse: it exports
|
||
|
wisdom from process 0 in @code{comm} to all other processes in the
|
||
|
communicator, replacing any wisdom they currently have.
|
||
|
|
||
|
@xref{FFTW MPI Wisdom}.
|
||
|
|
||
|
@c ------------------------------------------------------------
|
||
|
@node FFTW MPI Fortran Interface, , FFTW MPI Reference, Distributed-memory FFTW with MPI
|
||
|
@section FFTW MPI Fortran Interface
|
||
|
@cindex Fortran interface
|
||
|
|
||
|
@cindex iso_c_binding
|
||
|
The FFTW MPI interface is callable from modern Fortran compilers
|
||
|
supporting the Fortran 2003 @code{iso_c_binding} standard for calling
|
||
|
C functions. As described in @ref{Calling FFTW from Modern Fortran},
|
||
|
this means that you can directly call FFTW's C interface from Fortran
|
||
|
with only minor changes in syntax. There are, however, a few things
|
||
|
specific to the MPI interface to keep in mind:
|
||
|
|
||
|
@itemize @bullet
|
||
|
|
||
|
@item
|
||
|
Instead of including @code{fftw3.f03} as in @ref{Overview of Fortran
|
||
|
interface }, you should @code{include 'fftw3-mpi.f03'} (after
|
||
|
@code{use, intrinsic :: iso_c_binding} as before). The
|
||
|
@code{fftw3-mpi.f03} file includes @code{fftw3.f03}, so you should
|
||
|
@emph{not} @code{include} them both yourself. (You will also want to
|
||
|
include the MPI header file, usually via @code{include 'mpif.h'} or
|
||
|
similar, although though this is not needed by @code{fftw3-mpi.f03}
|
||
|
@i{per se}.) (To use the @samp{fftwl_} @code{long double} extended-precision routines in supporting compilers, you should include @code{fftw3f-mpi.f03} in @emph{addition} to @code{fftw3-mpi.f03}. @xref{Extended and quadruple precision in Fortran}.)
|
||
|
|
||
|
@item
|
||
|
Because of the different storage conventions between C and Fortran,
|
||
|
you reverse the order of your array dimensions when passing them to
|
||
|
FFTW (@pxref{Reversing array dimensions}). This is merely a
|
||
|
difference in notation and incurs no performance overhead. However,
|
||
|
it means that, whereas in C the @emph{first} dimension is distributed,
|
||
|
in Fortran the @emph{last} dimension of your array is distributed.
|
||
|
|
||
|
@item
|
||
|
@cindex MPI communicator
|
||
|
In Fortran, communicators are stored as @code{integer} types; there is
|
||
|
no @code{MPI_Comm} type, nor is there any way to access a C
|
||
|
@code{MPI_Comm}. Fortunately, this is taken care of for you by the
|
||
|
FFTW Fortran interface: whenever the C interface expects an
|
||
|
@code{MPI_Comm} type, you should pass the Fortran communicator as an
|
||
|
@code{integer}.@footnote{Technically, this is because you aren't
|
||
|
actually calling the C functions directly. You are calling wrapper
|
||
|
functions that translate the communicator with @code{MPI_Comm_f2c}
|
||
|
before calling the ordinary C interface. This is all done
|
||
|
transparently, however, since the @code{fftw3-mpi.f03} interface file
|
||
|
renames the wrappers so that they are called in Fortran with the same
|
||
|
names as the C interface functions.}
|
||
|
|
||
|
@item
|
||
|
Because you need to call the @samp{local_size} function to find out
|
||
|
how much space to allocate, and this may be @emph{larger} than the
|
||
|
local portion of the array (@pxref{MPI Data Distribution}), you should
|
||
|
@emph{always} allocate your arrays dynamically using FFTW's allocation
|
||
|
routines as described in @ref{Allocating aligned memory in Fortran}.
|
||
|
(Coincidentally, this also provides the best performance by
|
||
|
guaranteeding proper data alignment.)
|
||
|
|
||
|
@item
|
||
|
Because all sizes in the MPI FFTW interface are declared as
|
||
|
@code{ptrdiff_t} in C, you should use @code{integer(C_INTPTR_T)} in
|
||
|
Fortran (@pxref{FFTW Fortran type reference}).
|
||
|
|
||
|
@item
|
||
|
@findex fftw_execute_dft
|
||
|
@findex fftw_mpi_execute_dft
|
||
|
@cindex new-array execution
|
||
|
In Fortran, because of the language semantics, we generally recommend
|
||
|
using the new-array execute functions for all plans, even in the
|
||
|
common case where you are executing the plan on the same arrays for
|
||
|
which the plan was created (@pxref{Plan execution in Fortran}).
|
||
|
However, note that in the MPI interface these functions are changed:
|
||
|
@code{fftw_execute_dft} becomes @code{fftw_mpi_execute_dft},
|
||
|
etcetera. @xref{Using MPI Plans}.
|
||
|
|
||
|
@end itemize
|
||
|
|
||
|
For example, here is a Fortran code snippet to perform a distributed
|
||
|
@twodims{L,M} complex DFT in-place. (This assumes you have already
|
||
|
initialized MPI with @code{MPI_init} and have also performed
|
||
|
@code{call fftw_mpi_init}.)
|
||
|
|
||
|
@example
|
||
|
use, intrinsic :: iso_c_binding
|
||
|
include 'fftw3-mpi.f03'
|
||
|
integer(C_INTPTR_T), parameter :: L = ...
|
||
|
integer(C_INTPTR_T), parameter :: M = ...
|
||
|
type(C_PTR) :: plan, cdata
|
||
|
complex(C_DOUBLE_COMPLEX), pointer :: data(:,:)
|
||
|
integer(C_INTPTR_T) :: i, j, alloc_local, local_M, local_j_offset
|
||
|
|
||
|
! @r{get local data size and allocate (note dimension reversal)}
|
||
|
alloc_local = fftw_mpi_local_size_2d(M, L, MPI_COMM_WORLD, &
|
||
|
local_M, local_j_offset)
|
||
|
cdata = fftw_alloc_complex(alloc_local)
|
||
|
call c_f_pointer(cdata, data, [L,local_M])
|
||
|
|
||
|
! @r{create MPI plan for in-place forward DFT (note dimension reversal)}
|
||
|
plan = fftw_mpi_plan_dft_2d(M, L, data, data, MPI_COMM_WORLD, &
|
||
|
FFTW_FORWARD, FFTW_MEASURE)
|
||
|
|
||
|
! @r{initialize data to some function} my_function(i,j)
|
||
|
do j = 1, local_M
|
||
|
do i = 1, L
|
||
|
data(i, j) = my_function(i, j + local_j_offset)
|
||
|
end do
|
||
|
end do
|
||
|
|
||
|
! @r{compute transform (as many times as desired)}
|
||
|
call fftw_mpi_execute_dft(plan, data, data)
|
||
|
|
||
|
call fftw_destroy_plan(plan)
|
||
|
call fftw_free(cdata)
|
||
|
@end example
|
||
|
|
||
|
Note that when we called @code{fftw_mpi_local_size_2d} and
|
||
|
@code{fftw_mpi_plan_dft_2d} with the dimensions in reversed order,
|
||
|
since a @twodims{L,M} Fortran array is viewed by FFTW in C as a
|
||
|
@twodims{M, L} array. This means that the array was distributed over
|
||
|
the @code{M} dimension, the local portion of which is a
|
||
|
@twodims{L,local_M} array in Fortran. (You must @emph{not} use an
|
||
|
@code{allocate} statement to allocate an @twodims{L,local_M} array,
|
||
|
however; you must allocate @code{alloc_local} complex numbers, which
|
||
|
may be greater than @code{L * local_M}, in order to reserve space for
|
||
|
intermediate steps of the transform.) Finally, we mention that
|
||
|
because C's array indices are zero-based, the @code{local_j_offset}
|
||
|
argument can conveniently be interpreted as an offset in the 1-based
|
||
|
@code{j} index (rather than as a starting index as in C).
|
||
|
|
||
|
If instead you had used the @code{ior(FFTW_MEASURE,
|
||
|
FFTW_MPI_TRANSPOSED_OUT)} flag, the output of the transform would be a
|
||
|
transposed @twodims{M,local_L} array, associated with the @emph{same}
|
||
|
@code{cdata} allocation (since the transform is in-place), and which
|
||
|
you could declare with:
|
||
|
|
||
|
@example
|
||
|
complex(C_DOUBLE_COMPLEX), pointer :: tdata(:,:)
|
||
|
...
|
||
|
call c_f_pointer(cdata, tdata, [M,local_L])
|
||
|
@end example
|
||
|
|
||
|
where @code{local_L} would have been obtained by changing the
|
||
|
@code{fftw_mpi_local_size_2d} call to:
|
||
|
|
||
|
@example
|
||
|
alloc_local = fftw_mpi_local_size_2d_transposed(M, L, MPI_COMM_WORLD, &
|
||
|
local_M, local_j_offset, local_L, local_i_offset)
|
||
|
@end example
|