Library for 2D pencil decomposition and distributed Fast Fourier Transform |
For large-scale applications using thousands of processors, doing proper I/O is often as important as having efficient parallel algorithms. 2DECOMP&FFT provides a parallel I/O module to help applications handle large data set in parallel. This module takes advantage of the decomposition information available in the library kernel and uses MPI-IO to implement some most frequently used I/O functions for applications based on 3D Cartesian data structures.
All the I/O functions have been packed in a Fortran module:
use decomp_2d_io
To write a single three-dimensional array to a file
call decomp_2d_write_one(ipencil,var,filename)
where ipencil describes how the data is distributed (valid values are: 1 for X-pencil; 2 for Y-pencil and 3 for Z-pencil); var is the reference to the data array, which can be either real or complex; filename is the name of the file to be written. A more general form of the subroutine is:
call decomp_2d_write_one(ipencil,var,filename, opt_decomp)
where the global size of the data array is described by the decomposition object opt_decomp (as discussed in the Advanced 2D Decomposition API), allowing distributed array of arbitrary size to be written. The file written would contain the 3D array in its natural ijk-order so that it can be easily post-processed (for example by a serial code). A corresponding read routine is also available.
To write multiple three-dimensional variables into a file
This function is very useful when creating check-point files or result files. It is in the form of:
call decomp_2d_write_var(fh,disp,ipencil,var)
where fh is a MPI-IO file handle provided by the application (file opened using MPI_FILE_OPEN); ipencil describes the distribution of the input data (valid values are: 1 for X-pencil; 2 for Y-pencil and 3 for Z-pencil); disp (meaning displacement) is a variable of kind MPI_OFFSET_KIND and of intent INOUT - it is like a pointer or file cursor tracking the location where the next chunk of data would be written. It is assumed that the data array is in default size, otherwise the function also takes a second and more general form:
call decomp_2d_write_var(fh,disp,ipencil,var,opt_decomp)
where the decomposition object opt_decomp describes the arbitrary size of the global array.
To create a restart/checkpointing file, it is often necessary to save key scalar variables as well. This can be done using:
call decomp_2d_write_scalar(fh,disp,n,var)
where var is a 1D array containing n scalars of the same data type. The supported data types are: real, complex and integer.
These subroutines have corresponding read routines with exactly the same set of parameters. Applications are responsible for closing the file after everything is written (using MPI_FILE_CLOSE). Again, each chunk of data in the file contains one variable stored in its natural order. One major benefit is that it becomes very easy to read the data back into the application using a different number of MPI processes.
To write a 2D slice of data from a 3D variable
call decomp_2d_write_plane(ipencil,var,iplane,n,filename,opt_decomp)
where ipencil describes the distribution of the 3D variable var; iplane defines the direction of the desired 2D slice (1 for X-plane; 2 for Y-plane and 3 for Z-plane); n specifies which plane to write out (in global coordinate system); and filename is the name of the file to be written. As before, opt_decomp is an optional parameter that can be used when var is of non-default size.
To write out a 3D variable in lower resolution to a file
Applications using the 2D decomposition often handle quite large data sets. It may not be practical to write out everything for post-processing. The following subroutine provide a convenient way to write only a subset of the data for analysis.
call decomp_2d_write_every(ipencil,var,iskip,jskip,kskip,filename,from1)
where once again ipencil describes the distribution of the 3D variable var and filename defines the name of the file to be written. Every iskip-th points of the data in X-direction, jskip-th in Y-direction and every kskip-th in Z-direction are to be written. Finally from1 is a boolean flag. Assuming every n-th data points are to be written out, the data points have indices of:
Quick I/O Reference
The following table summarises the supported I/O types and data types of the subroutines:
IO functions | I/O type | Data type | decomp^{#} | |||
Read | Write | Real | Cmplx | Int | ||
_one | ||||||
_var | ||||||
_scalar | N/A | |||||
_plane | ||||||
_every |
# - decomp refers to a decomposition object that describes an arbitrary-size global data set.
Future Development
As these I/O operations are built upon data structured well defined by the decomposition library, it is fairly easy to introduce additional functions, should any need arises.
The I/O library is currently implemented using a straight-forward I/O model - all MPI processes collectively read/write individual files. Depending on hardware situations (in particular the file system), this model may fail to scale above several thousands of processes. A more scalable I/O model, known as multiple writers model, is to use a subset of processes serving as local master, each processing data on behalf on a group of processes. This feature will be introduced in a future version of the library when there are clear practical requirements.
I/O Optimisation for LUSTRE File System
LUSTRE is a widely used distributed file system. On LUSTRE, files are 'striped' across multiple object storage targets (physical disks) that can be accessed in parallel to acheive high performance. Naturally, the best striping strategy is dependent on hardware configurations and software parameters (such as file sizes). T3PIO is a library that allows applications to programmatically set the optimal LUSTRE parameters when writing files via MPI-IO or HDF5. It has potential to significantly improve I/O performance.
From version 1.5.x, 2DECOMP&FFT can optionally use T3PIO to optimise its parallel IO routines. To use this feature, first make sure that you are using LUSTRE file system and T3PIO library is available on your system, then use the -DT3PIO flag to turn on T3PIO support while building 2DECOMP&FFT. In one set of benchmark, when writing a 8GB file collectively from 1024 cores on a busy production Cray XE6 system, a speed-up of 3 times was achieved.