Add the Intel environment by the command line

>add intel

The following make file would link to the BLAS library.

LIBDIR = /usr/local/intel/mkl721/lib/32

LIBS = -L${LIBDIR} -lmkl_ia32 -lmkl_lapack -lguide -lpthread

FC = /usr/local/intel/compiler70/ia32/bin/ifc

FFLAGS = -O3 -tpp7 -static

foo:

$(FC) $(FFLAGS) -c foo.f

$(FC) $(FFLAGS) -o foo foo.o ${LIBS}

Similarly, to link the BLAS and LAPACK libraries when using the PGI Fortran compiler, first add the pgi environment by

>add pgi

(if you've been using the Intel compiler environment, then log out and back in before the "add pgi"). Then the following make file should work.

LIBDIR = /usr/local/gnu/blas/ATLAS_rhel3-32/lib/rhel3-32

LIBS = -L${LIBDIR1} -lcblas -lf77blas -latlas

FC = /usr/local/pgi/linux86/6.0/bin/pgf77

foo:

$(FC) -c foo.f

$(FC) -o foo foo.o ${LIBS}

FFLAGS = -c -Bstatic -fastsse

LFLAGS =

LIBDIR2 = /usr/local/gnu/blas/ATLAS_rhel3-32/lib/rhel3-32

LIBS = -L${LIBDIR2} -lcblas -lf77blas -latlas -lg2c /usr/local/pgi/linux86/6.0/lib/liblapack.a

foo:

$(FC) -c foo.f

$(FC) -o foo foo.o ${LIBS}

The gnu environment is the default. The following make file would link to the ATLAS BLAS library.

FC = /usr/bin/g77

CC = /usr/bin/gcc

LIBDIR = /usr/local/gnu/blas/ATLAS_rhel3-32/lib/rhel3-32

LIBS = -L${LIBDIR} -llapack -lcblas -lf77blas -latlas -lg2c

FFLAGS = -static

foo:

$(FC) $(FFLAGS) -c foo.f

$(FC) $(FFLAGS) -o foo foo.o ${LIBS}

If the above makefile is foomake, you could execute it by the command line (making sure the $(FC) lines start with tabs).

>make -f foomake

The BLAS (Basic Linear Algebra Subroutines) and LAPACK (Linear Algebra Package) are basic building blocks for many codes. The BLAS perform such basic operations as innner products, matrix-vector and matrix-matrix products. The LAPACK routines use the BLAS routines to perform dense matrix operations such as LU decomposition to solve linear equation, QR decomposition to solve least square problems, and also singular value and eigen problems.

Advantages of using the LAPACK and BLAS libraries are in having portable fast code. Fortran (C is also possible with a bit more fiddling) codes calling LAPACK and BLAS can be ported easily to a variety of archectectures. The code is high quality, giving not only good performance, but also handling exceptional cases and avoiding numeric under and overflow. For problems too large to fit in cache, LAPACK codes often run in one third or less of the time required by the predecessor packages EISPACK and LINPACK. (For small matrices, size a few hundred or less, EISPACK and LINPACK may sometimes be faster, having fewer levels of subroutine).

For solving a 12K by 12K linear system on a single processor, a user found that the Numeric Recipes solver timed out after ten hours. The LAPACK solver dgesv required fifteen minutes with the PGI compiler and PGI supplied BLAS, and about ten minutes with the Intel compiler and BLAS.

The efficiency of the implementation depends mainly on the quality of the underlying BLAS library. Good BLAS implementations allow matrix matrix multiplications and such operations as LU and QR decomposition to run at near the peak CPU clock rates.

Speeds obtained by downloading the standard BLAS source code and compiling it are slower than for a tuned library. Several tuned BLAS and LAPACK libraries are available on the blade cluster. Instructions on linking to the Intel, PGI, and Atlas versions of the library are included above.

Two of the best known publically available sparse solver packages are SuperLU (using sparse Gaussian elimination) and PETSc (incorporating iterative solvers, but also assuming that LAPACK has been installed). For advice on choosing an appropriate package, or other questions, you can e-mail Gary Howell, gary_howell@ncsu.edu.