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diff src/fftw-3.3.5/doc/mpi.texi @ 127:7867fa7e1b6b
Current fftw source
author | Chris Cannam <cannam@all-day-breakfast.com> |
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date | Tue, 18 Oct 2016 13:40:26 +0100 |
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--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/src/fftw-3.3.5/doc/mpi.texi Tue Oct 18 13:40:26 2016 +0100 @@ -0,0 +1,1768 @@ +@node Distributed-memory FFTW with MPI, Calling FFTW from Modern Fortran, Multi-threaded FFTW, Top +@chapter Distributed-memory FFTW with MPI +@cindex MPI + +@cindex parallel transform +In this chapter we document the parallel FFTW routines for parallel +systems supporting the MPI message-passing interface. Unlike the +shared-memory threads described in the previous chapter, MPI allows +you to use @emph{distributed-memory} parallelism, where each CPU has +its own separate memory, and which can scale up to clusters of many +thousands of processors. This capability comes at a price, however: +each process only stores a @emph{portion} of the data to be +transformed, which means that the data structures and +programming-interface are quite different from the serial or threads +versions of FFTW. +@cindex data distribution + + +Distributed-memory parallelism is especially useful when you are +transforming arrays so large that they do not fit into the memory of a +single processor. The storage per-process required by FFTW's MPI +routines is proportional to the total array size divided by the number +of processes. Conversely, distributed-memory parallelism can easily +pose an unacceptably high communications overhead for small problems; +the threshold problem size for which parallelism becomes advantageous +will depend on the precise problem you are interested in, your +hardware, and your MPI implementation. + +A note on terminology: in MPI, you divide the data among a set of +``processes'' which each run in their own memory address space. +Generally, each process runs on a different physical processor, but +this is not required. A set of processes in MPI is described by an +opaque data structure called a ``communicator,'' the most common of +which is the predefined communicator @code{MPI_COMM_WORLD} which +refers to @emph{all} processes. For more information on these and +other concepts common to all MPI programs, we refer the reader to the +documentation at @uref{http://www.mcs.anl.gov/research/projects/mpi/, the MPI home +page}. +@cindex MPI communicator +@ctindex MPI_COMM_WORLD + + +We assume in this chapter that the reader is familiar with the usage +of the serial (uniprocessor) FFTW, and focus only on the concepts new +to the MPI interface. + +@menu +* FFTW MPI Installation:: +* Linking and Initializing MPI FFTW:: +* 2d MPI example:: +* MPI Data Distribution:: +* Multi-dimensional MPI DFTs of Real Data:: +* Other Multi-dimensional Real-data MPI Transforms:: +* FFTW MPI Transposes:: +* FFTW MPI Wisdom:: +* Avoiding MPI Deadlocks:: +* FFTW MPI Performance Tips:: +* Combining MPI and Threads:: +* FFTW MPI Reference:: +* FFTW MPI Fortran Interface:: +@end menu + +@c ------------------------------------------------------------ +@node FFTW MPI Installation, Linking and Initializing MPI FFTW, Distributed-memory FFTW with MPI, Distributed-memory FFTW with MPI +@section FFTW MPI Installation + +All of the FFTW MPI code is located in the @code{mpi} subdirectory of +the FFTW package. On Unix systems, the FFTW MPI libraries and header +files are automatically configured, compiled, and installed along with +the uniprocessor FFTW libraries simply by including +@code{--enable-mpi} in the flags to the @code{configure} script +(@pxref{Installation on Unix}). +@fpindex configure + + +Any implementation of the MPI standard, version 1 or later, should +work with FFTW. The @code{configure} script will attempt to +automatically detect how to compile and link code using your MPI +implementation. In some cases, especially if you have multiple +different MPI implementations installed or have an unusual MPI +software package, you may need to provide this information explicitly. + +Most commonly, one compiles MPI code by invoking a special compiler +command, typically @code{mpicc} for C code. The @code{configure} +script knows the most common names for this command, but you can +specify the MPI compilation command explicitly by setting the +@code{MPICC} variable, as in @samp{./configure MPICC=mpicc ...}. +@fpindex mpicc + + +If, instead of a special compiler command, you need to link a certain +library, you can specify the link command via the @code{MPILIBS} +variable, as in @samp{./configure MPILIBS=-lmpi ...}. Note that if +your MPI library is installed in a non-standard location (one the +compiler does not know about by default), you may also have to specify +the location of the library and header files via @code{LDFLAGS} and +@code{CPPFLAGS} variables, respectively, as in @samp{./configure +LDFLAGS=-L/path/to/mpi/libs CPPFLAGS=-I/path/to/mpi/include ...}. + +@c ------------------------------------------------------------ +@node Linking and Initializing MPI FFTW, 2d MPI example, FFTW MPI Installation, Distributed-memory FFTW with MPI +@section Linking and Initializing MPI FFTW + +Programs using the MPI FFTW routines should be linked with +@code{-lfftw3_mpi -lfftw3 -lm} on Unix in double precision, +@code{-lfftw3f_mpi -lfftw3f -lm} in single precision, and so on +(@pxref{Precision}). You will also need to link with whatever library +is responsible for MPI on your system; in most MPI implementations, +there is a special compiler alias named @code{mpicc} to compile and +link MPI code. +@fpindex mpicc +@cindex linking on Unix +@cindex precision + + +@findex fftw_init_threads +Before calling any FFTW routines except possibly +@code{fftw_init_threads} (@pxref{Combining MPI and Threads}), but after calling +@code{MPI_Init}, you should call the function: + +@example +void fftw_mpi_init(void); +@end example +@findex fftw_mpi_init + +If, at the end of your program, you want to get rid of all memory and +other resources allocated internally by FFTW, for both the serial and +MPI routines, you can call: + +@example +void fftw_mpi_cleanup(void); +@end example +@findex fftw_mpi_cleanup + +which is much like the @code{fftw_cleanup()} function except that it +also gets rid of FFTW's MPI-related data. You must @emph{not} execute +any previously created plans after calling this function. + +@c ------------------------------------------------------------ +@node 2d MPI example, MPI Data Distribution, Linking and Initializing MPI FFTW, Distributed-memory FFTW with MPI +@section 2d MPI example + +Before we document the FFTW MPI interface in detail, we begin with a +simple example outlining how one would perform a two-dimensional +@code{N0} by @code{N1} complex DFT. + +@example +#include <fftw3-mpi.h> + +int main(int argc, char **argv) +@{ + const ptrdiff_t N0 = ..., N1 = ...; + fftw_plan plan; + fftw_complex *data; + ptrdiff_t alloc_local, local_n0, local_0_start, i, j; + + MPI_Init(&argc, &argv); + fftw_mpi_init(); + + /* @r{get local data size and allocate} */ + alloc_local = fftw_mpi_local_size_2d(N0, N1, MPI_COMM_WORLD, + &local_n0, &local_0_start); + data = fftw_alloc_complex(alloc_local); + + /* @r{create plan for in-place forward DFT} */ + plan = fftw_mpi_plan_dft_2d(N0, N1, data, data, MPI_COMM_WORLD, + FFTW_FORWARD, FFTW_ESTIMATE); + + /* @r{initialize data to some function} my_function(x,y) */ + for (i = 0; i < local_n0; ++i) for (j = 0; j < N1; ++j) + data[i*N1 + 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); + + MPI_Finalize(); +@} +@end example + +As can be seen above, the MPI interface follows the same basic style +of allocate/plan/execute/destroy as the serial FFTW routines. All of +the MPI-specific routines are prefixed with @samp{fftw_mpi_} instead +of @samp{fftw_}. There are a few important differences, however: + +First, we must call @code{fftw_mpi_init()} after calling +@code{MPI_Init} (required in all MPI programs) and before calling any +other @samp{fftw_mpi_} routine. +@findex MPI_Init +@findex fftw_mpi_init + + +Second, when we create the plan with @code{fftw_mpi_plan_dft_2d}, +analogous to @code{fftw_plan_dft_2d}, we pass an additional argument: +the communicator, indicating which processes will participate in the +transform (here @code{MPI_COMM_WORLD}, indicating all processes). +Whenever you create, execute, or destroy a plan for an MPI transform, +you must call the corresponding FFTW routine on @emph{all} processes +in the communicator for that transform. (That is, these are +@emph{collective} calls.) Note that the plan for the MPI transform +uses the standard @code{fftw_execute} and @code{fftw_destroy} routines +(on the other hand, there are MPI-specific new-array execute functions +documented below). +@cindex collective function +@findex fftw_mpi_plan_dft_2d +@ctindex MPI_COMM_WORLD + + +Third, all of the FFTW MPI routines take @code{ptrdiff_t} arguments +instead of @code{int} as for the serial FFTW. @code{ptrdiff_t} is a +standard C integer type which is (at least) 32 bits wide on a 32-bit +machine and 64 bits wide on a 64-bit machine. This is to make it easy +to specify very large parallel transforms on a 64-bit machine. (You +can specify 64-bit transform sizes in the serial FFTW, too, but only +by using the @samp{guru64} planner interface. @xref{64-bit Guru +Interface}.) +@tindex ptrdiff_t +@cindex 64-bit architecture + + +Fourth, and most importantly, you don't allocate the entire +two-dimensional array on each process. Instead, you call +@code{fftw_mpi_local_size_2d} to find out what @emph{portion} of the +array resides on each processor, and how much space to allocate. +Here, the portion of the array on each process is a @code{local_n0} by +@code{N1} slice of the total array, starting at index +@code{local_0_start}. The total number of @code{fftw_complex} numbers +to allocate is given by the @code{alloc_local} return value, which +@emph{may} be greater than @code{local_n0 * N1} (in case some +intermediate calculations require additional storage). The data +distribution in FFTW's MPI interface is described in more detail by +the next section. +@findex fftw_mpi_local_size_2d +@cindex data distribution + + +Given the portion of the array that resides on the local process, it +is straightforward to initialize the data (here to a function +@code{myfunction}) and otherwise manipulate it. Of course, at the end +of the program you may want to output the data somehow, but +synchronizing this output is up to you and is beyond the scope of this +manual. (One good way to output a large multi-dimensional distributed +array in MPI to a portable binary file is to use the free HDF5 +library; see the @uref{http://www.hdfgroup.org/, HDF home page}.) +@cindex HDF5 +@cindex MPI I/O + +@c ------------------------------------------------------------ +@node MPI Data Distribution, Multi-dimensional MPI DFTs of Real Data, 2d MPI example, Distributed-memory FFTW with MPI +@section MPI Data Distribution +@cindex data distribution + +The most important concept to understand in using FFTW's MPI interface +is the data distribution. With a serial or multithreaded FFT, all of +the inputs and outputs are stored as a single contiguous chunk of +memory. With a distributed-memory FFT, the inputs and outputs are +broken into disjoint blocks, one per process. + +In particular, FFTW uses a @emph{1d block distribution} of the data, +distributed along the @emph{first dimension}. For example, if you +want to perform a @twodims{100,200} complex DFT, distributed over 4 +processes, each process will get a @twodims{25,200} slice of the data. +That is, process 0 will get rows 0 through 24, process 1 will get rows +25 through 49, process 2 will get rows 50 through 74, and process 3 +will get rows 75 through 99. If you take the same array but +distribute it over 3 processes, then it is not evenly divisible so the +different processes will have unequal chunks. FFTW's default choice +in this case is to assign 34 rows to processes 0 and 1, and 32 rows to +process 2. +@cindex block distribution + + +FFTW provides several @samp{fftw_mpi_local_size} routines that you can +call to find out what portion of an array is stored on the current +process. In most cases, you should use the default block sizes picked +by FFTW, but it is also possible to specify your own block size. For +example, with a @twodims{100,200} array on three processes, you can +tell FFTW to use a block size of 40, which would assign 40 rows to +processes 0 and 1, and 20 rows to process 2. FFTW's default is to +divide the data equally among the processes if possible, and as best +it can otherwise. The rows are always assigned in ``rank order,'' +i.e. process 0 gets the first block of rows, then process 1, and so +on. (You can change this by using @code{MPI_Comm_split} to create a +new communicator with re-ordered processes.) However, you should +always call the @samp{fftw_mpi_local_size} routines, if possible, +rather than trying to predict FFTW's distribution choices. + +In particular, it is critical that you allocate the storage size that +is returned by @samp{fftw_mpi_local_size}, which is @emph{not} +necessarily the size of the local slice of the array. The reason is +that intermediate steps of FFTW's algorithms involve transposing the +array and redistributing the data, so at these intermediate steps FFTW +may require more local storage space (albeit always proportional to +the total size divided by the number of processes). The +@samp{fftw_mpi_local_size} functions know how much storage is required +for these intermediate steps and tell you the correct amount to +allocate. + +@menu +* Basic and advanced distribution interfaces:: +* Load balancing:: +* Transposed distributions:: +* One-dimensional distributions:: +@end menu + +@node Basic and advanced distribution interfaces, Load balancing, MPI Data Distribution, MPI Data Distribution +@subsection Basic and advanced distribution interfaces + +As with the planner interface, the @samp{fftw_mpi_local_size} +distribution interface is broken into basic and advanced +(@samp{_many}) interfaces, where the latter allows you to specify the +block size manually and also to request block sizes when computing +multiple transforms simultaneously. These functions are documented +more exhaustively by the FFTW MPI Reference, but we summarize the +basic ideas here using a couple of two-dimensional examples. + +For the @twodims{100,200} complex-DFT example, above, we would find +the distribution by calling the following function in the basic +interface: + +@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); +@end example +@findex fftw_mpi_local_size_2d + +Given the total size of the data to be transformed (here, @code{n0 = +100} and @code{n1 = 200}) and an MPI communicator (@code{comm}), this +function provides three numbers. + +First, it describes the shape of the local data: the current process +should store a @code{local_n0} by @code{n1} slice of the overall +dataset, in row-major order (@code{n1} dimension contiguous), starting +at index @code{local_0_start}. That is, if the total dataset is +viewed as a @code{n0} by @code{n1} matrix, the current process should +store the rows @code{local_0_start} to +@code{local_0_start+local_n0-1}. Obviously, if you are running with +only a single MPI process, that process will store the entire array: +@code{local_0_start} will be zero and @code{local_n0} will be +@code{n0}. @xref{Row-major Format}. +@cindex row-major + + +Second, the return value is the total number of data elements (e.g., +complex numbers for a complex DFT) that should be allocated for the +input and output arrays on the current process (ideally with +@code{fftw_malloc} or an @samp{fftw_alloc} function, to ensure optimal +alignment). It might seem that this should always be equal to +@code{local_n0 * n1}, but this is @emph{not} the case. FFTW's +distributed FFT algorithms require data redistributions at +intermediate stages of the transform, and in some circumstances this +may require slightly larger local storage. This is discussed in more +detail below, under @ref{Load balancing}. +@findex fftw_malloc +@findex fftw_alloc_complex + + +@cindex advanced interface +The advanced-interface @samp{local_size} function for multidimensional +transforms returns the same three things (@code{local_n0}, +@code{local_0_start}, and the total number of elements to allocate), +but takes more inputs: + +@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); +@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