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HPC Support

Operation Status

Ulf Markwardt: 33640
Claudia Schmidt: 39833 hpcsupport@zih.tu-dresden.de

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Phone: 40000
Fax: 42328
servicedesk@tu-dresden.de

Libraries

The following libraries are available on our platforms:

  Taurus Venus module
Boost 1.49, 1.5[4-9], 160 1.49, 1.51,1.54 boost
MKL 2013, 2015 2013 mkl
FFTW 3.3.4   fftw

The Boost Library

Boost provides free peer-reviewed portable C++ source libraries, ranging from multithread and MPI support to regular expression and numeric funtions. See at http://www.boost.org for detailed documentation.

BLAS/LAPACK

Example

program ExampleProgram

external dgesv
integer:: n, m, c, d, e, Z(2)                           !parameter definition
double precision:: A(2,2), B(2)

n=2; m=1; c=2; d=2;

A(1,1) = 1.0; A(1,2) = 2.0;                           !parameter setting
A(2,1) = 3.0; A(2,2) = 4.0;

B(1) = 14.0; B(2) = 32.0;

Call dgesv(n,m,A,c,Z,B,d,e);                        !call the subroutine

write(*,*) "Solution ", B(1), " ", B(2)             !display on desktop

end program ExampleProgram

Math Kernel Library (MKL)

The Intel Math Kernel Library is a collection of basic linear algebra subroutines (BLAS) and fast fourier transformations (FFT). It contains routines for:

  • Solvers such as linear algebra package (LAPACK) and BLAS
  • Eigenvector/eigenvalue solvers (BLAS, LAPACK)
  • PDEs, signal processing, seismic, solid-state physics (FFTs)
  • General scientific, financial - vector transcendental functions, vector markup language (XML)
More specifically it contains the following components:
  • BLAS:
    • Level 1 BLAS: vector-vector operations, 48 functions
    • Level 2 BLAS: matrix-vector operations, 66 functions
    • Level 3 BLAS: matrix-matrix operations, 30 functions
  • LAPACK (linear algebra package), solvers and eigensolvers, hundreds of routines, more than 1000 user callable routines
  • FFTs (fast Fourier transform): one and two dimensional, with and without frequency ordering (bit reversal). There are wrapper functions to provide an interface to use MKL instead of FFTW.
  • VML (vector math library), set of vectorized transcendental functions
  • Parallel Sparse Direct Linear Solver (Pardiso)
Please note: MKL comes in an OpenMP-parallel version. If you want to use it, make sure you know how to place your jobs. (1)

Linking with the MKL

For linker flag combinations, Intel provides the MKL Link Line Advisor at http://software.intel.com/en-us/articles/intel-mkl-link-line-advisor/ (please make sure that JavaScript is enabled for this page).

Can be compiled with MKL 11 like this
ifort -I$MKL_INC -L$MKL_LIB -lmkl_core -lm -lmkl_gf_ilp64 -lmkl_lapack example.f90

Linking with the MKL at VENUS

Please follow the infomation at website
http://hpcsoftware.ncsa.illinois.edu/Software/user/show_all.php?deploy_id=951&view=NCSA
icc -O1 -I/sw/global/compilers/intel/2013/mkl//include -lmpi -mkl -lmkl_scalapack_lp64 -lmkl_blacs_sgimpt_lp64 -lmkl_intel_lp64 -lmkl_sequential -lmkl_core example.c

FFTW

FFTW is a C subroutine library for computing the discrete Fourier transform (DFT) in one or more dimensions, of arbitrary input size, and of both real and complex data (as well as of even/odd data, i.e. the discrete cosine/sine transforms or DCT/DST). Before using this library, please check out the functions of vendor specific libraries ACML and/or MKL.

Notes

1 : In [c't 18, 2010], Andreas Stiller proposes the usage of GOMP_CPU_AFFINITY to allow the mapping of AMD cores. KMP_AFFINITY works only for Intel processors.