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README
This directory contains the PSBLAS library, version 3.4. Existing codes will work untouched with version 3.4, but they will have to be recompiled; new methods have been added for the sake of GPU computations, plus the usual bunch of bug fixes. This version requires a working Fortran 2003 compiler; we do not use all of the language features (specifically, so far we did not employ FINAL subroutines), but the features we use were sufficient in identifying bugs in ALL compilers we tried (all the bugs have been reported and mostly fixed by the respective vendors). The new internals have been completely overhauled, and in many cases rewritten; they now enable a much better interfacing with user-defined storage formats. If the user is only interested in the predefined formats, then the user's guide should be sufficient; what is somewhat lacking is documentation on how to add to the library, i.e. a developers' guide; stay tuned. The architecture of the Fortran 2003 sparse BLAS is described in S. Filippone, A. Buttari: Object-Oriented Techniques for Sparse Matrix Computations in Fortran 2003, ACM Trans. on Math. Software, vol. 38, No. 4, 2012. Version 1.0 of the library was described in: S. Filippone, M. Colajanni PSBLAS: A library for parallel linear algebra computation on sparse matrices ACM Trans. on Math. Software, 26(4), Dec. 2000, pp. 527-550. UTILITIES The test/util directory contains some utilities to convert to/from Harwell-Boeing and MatrixMarket file formats. DOCUMENTATION See docs/psblas-3.4.pdf; an HTML version of the same document is available in docs/html. Please consult the sample programs, especially test/pargen/ppde[23]d.f90 OTHER SOFTWARE CREDITS We originally included a modified implementation of some of the Sparker (serial sparse BLAS) material; this has been completely rewritten, way beyond the intention(s) and responsibilities of the original developers. The main reference for the serial sparse BLAS is: Duff, I., Marrone, M., Radicati, G., and Vittoli, C. Level 3 basic linear algebra subprograms for sparse matrices: a user level interface ACM Trans. Math. Softw., 23(3), 379-401, 1997. INSTALLING To compile and run our software you will need the following prerequisites (see also SERIAL below): 1. A working version of MPI 2. A version of the BLAS; if you don't have a specific version for your platform you may try ATLAS available from http://math-atlas.sourceforge.net/ 3. We have had good results with the METIS library, from http://www-users.cs.umn.edu/~karypis/metis/metis/main.html This is optional; it is used in the util and test/fileread directories but only if you specify --with-metis. 4. If you have the AMD package of Davis, Duff and Amestoy, you can specify --with-amd (see ./configure --help for more details). The configure script will generate a Make.inc file suitable for building the library. The script is capable of recognizing the needed libraries with their default names; if they are in unusual places consider adding the paths with --with-libs, or explicitly specifying the names in --with-blas, etc. Please note that a common way for the configure script to fail is to specify inconsistent MPI vs. plain compilers, either directly or indirectly via environment variables; e.g. specifying the Intel compiler with FC=ifort while at the same time having an MPIFC=mpif90 which points to GNU Fortran. The best way to avoid this situation is (in our opinion) to use the environment modules package (see http://modules.sourceforge.net/), and load the relevant variables with (e.g.) module load gnu46 openmpi This will delegate to the modules setup to make sure that the version of openmpi in use is the one compiled with the gnu46 compilers. After the configure script has completed you can always tweak the Make.inc file yourself. After you have Make.inc fixed, run make to compile the library; go to the test directory and its subdirectories to get test programs done. If you specify --prefix=/path you can do make install and the libraries will be installed under /path/lib, while the module files will be installed under /path/include. SERIAL Configuring with --enable-serial will provide a fake MPI stub library that enables running in pure serial mode; no MPI installation is needed in this case (but note that the fake MPI stubs are only guaranteed to cover what we use internally, it's not a complete replacement). EXPERIMENTAL We have an experimental flag --enable-long-integers that will enable having 8-byte integer data, allowing an index space larger than 2G; some small cases have been tested but we do not offer full guarantee (yet). COMPILER NOTES. This code is confirmed to work with the following compilers (or later versions thereof): NAGware 5.2; GNU 4.7.3; Cray CCE 8.0.1; They are all recognized by the configure script. To make the script work with the Cray CCE environment, it is recommended to use the following: ./configure FC=ftn F77=ftn CC=cc MPF90=ftn MPF77=ftn MPCC=cc with both CCE and GNU lower-level compilers. XLF 13.1 configures correctly, but then fails with ICEs (Internal Compiler Error) at build time. We do not yet know whether XLF 14 compiles correctly. For the GNU compilers 4.6.x we are aware of a number of memory management issues that might surface in your applications; most of them (that we're aware of) are solved in version 4.7.2 or later. The Intel compiler up to version 12.1 fails to compile, as of the last version we got access to. KNOWN ISSUES. An annoying problem exists with some versions of MPI: if the configure script sets -DMPI_MOD the MPI call interfaces will be resolved by using the MPI Fortran module. However usage of the module may cause compilation to fail when coupled with the debugging option -g, because the compiler complains that it cannot find a matching interface for some of the communication routines. The solution: either take out the -g option, or, if you really need to debug, edit Make.inc to force -DMPI_H in place of -DMPI_MOD. TODO: Fix all reamining bugs. Bugs? We dont' have any ! ;-) The PSBLAS team. RELATED SOFTWARE If you are looking for more sophisticated preconditioners, you may be interested in the package MLD2P4 from http://www.mld2p4.it Contact: Salvatore Filippone salvatore.filippone@uniroma2.it Credits for version 3: Salvatore Filippone Alfredo Buttari Credits for version 2.2: Michele Martone contributed the initial version of the configure machinery. Credits for version 2.0: Salvatore Filippone Alfredo Buttari Credits for version 1.0: Salvatore Filippone Michele Colajanni Fabio Cerioni Stefano Maiolatesi Dario Pascucci