ScaLAPACK 2.0.2

Basic information

Dependencies

  • OpenBLAS 0.2.20 (Includes BLAS and openBLAS)
  • BLACS (Included in ScaLAPACK)

Installation

  1. Load the necessary modules for compilation

    $ module purge
$ module load openblas/0.2.20_gcc-5.5.0

  2. Download the desired version of the software (Source code - tar.gz) [1]

    $ cd /home/mgomezzul/apps/mpc/src/
$ wget http://www.netlib.org/scalapack/scalapack.tgz
$ tar -xvf scalapack.tgz

  3. After unzipping ScaLAPACK, continue with the following steps for configuration and compilation:

    $ cd scalapack-2.0.2
$ cp SLmake.inc.example SLmake.inc

We edit the following variables to specify the BLAS and LAPACK paths, in our case both are included in the openBLAS directory:

BLASLIB       = -L/share/apps/openblas/0.2.20/gcc-5.5.0/lib -lopenblas
LAPACKLIB     =
LIBS          = $(LAPACKLIB) $(BLASLIB)

The file should look like this:

############################################################################
#
#  Program:         ScaLAPACK
#
#  Module:          SLmake.inc
#
#  Purpose:         Top-level Definitions
#
#  Creation date:   February 15, 2000
#
#  Modified:        October 13, 2011
#
#  Send bug reports, comments or suggestions to scalapack@cs.utk.edu
#
############################################################################
#
#  C preprocessor definitions:  set CDEFS to one of the following:
#
#     -DNoChange (fortran subprogram names are lower case without any suffix)
#     -DUpCase   (fortran subprogram names are upper case without any suffix)
#     -DAdd_     (fortran subprogram names are lower case with "_" appended)

CDEFS         = -DAdd_

#
#  The fortran and C compilers, loaders, and their flags
#

FC            = mpif90
CC            = mpicc
NOOPT         = -O0
FCFLAGS       = -O3
CCFLAGS       = -O3
FCLOADER      = $(FC)
CCLOADER      = $(CC)
FCLOADFLAGS   = $(FCFLAGS)
CCLOADFLAGS   = $(CCFLAGS)

#
#  The archiver and the flag(s) to use when building archive (library)
#  Also the ranlib routine.  If your system has no ranlib, set RANLIB = echo
#

ARCH          = ar
ARCHFLAGS     = cr
RANLIB        = ranlib

#
#  The name of the ScaLAPACK library to be created
#

SCALAPACKLIB  = libscalapack.a

#
#  BLAS, LAPACK (and possibly other) libraries needed for linking test programs
#

BLASLIB       = -L/share/apps/openblas/0.2.20/gcc-5.5.0/lib -lopenblas
LAPACKLIB     =
LIBS          = $(LAPACKLIB) $(BLASLIB)

  1. We proceed to compile the library

    make all 2>&1 | tee scalapack-make.log

  2. Once the libscalapack.a library is generated in the current directory create the directory in which it will be located and copy it there

    $ sudo mkdir -p /share/apps/scalapack/2.0.2/gcc-5.5.0/lib
$ sudo chown -R mgomezzul.apolo /share/apps/scalapack/2.0.2/gcc-5.5.0/lib
$ cp libscalapack.a /share/apps/scalapack/2.0.2/gcc-5.5.0/lib
$ sudo chown -R root.root /share/apps/scalapack/2.0.2/gcc-5.5.0/lib

Module

#%Module1.0####################################################################
##
## module load scalapack/2.0.2_gcc-5.5.0
##
## /share/apps/modules/scalapack/2.0.2_gcc-5.5.0
## Written by Mateo Gómez-Zuluaga
##

proc ModulesHelp {} {
    global version modroot
    puts stderr "Sets the environment for using ScaLAPACK 2.0.2\
                \nin the shared directory /share/apps/scalapack/2.0.2/gcc-5.5.0\
                \nbuilded with gcc-5.5.0, openmpi-1.10.7 and openBLAS-0.2.20."
}

module-whatis "(Name________) scalapack"
module-whatis "(Version_____) 2.0.2"
module-whatis "(Compilers___) gcc-5.5.0_openmpi-1.10.7"
module-whatis "(System______) x86_64-redhat-linux"
module-whatis "(Libraries___) openBLAS-0.2.20"

# for Tcl script use only
set         topdir        /share/apps/scalapack/2.0.2/gcc-5.5.0
set         version       2.0.2
set         sys           x86_64-redhat-linux

conflict scalapack
module load openmpi/1.10.7_gcc-5.5.0
module load openblas/0.2.20_gcc-5.5.0

prepend-path    LD_LIBRARY_PATH         $topdir/lib
prepend-path    LIBRARY_PATH            $topdir/lib
prepend-path    LD_RUN_PATH             $topdir/lib

Mode of use

$ module load scalapack/2.0.2_gcc-5.5.0