This directory has generic BLAS and LAPACK source files needed by the
ATC, AWPMD, ELECTRODE, LATTE, and ML-POD packages (and possibly by other
packages) in the future that can be used instead of platform or vendor
optimized BLAS/LAPACK library. For increased portability, the
BLAS/LAPACK source files have been translated to C++ with f2c. A few
subroutines using Fortran runtime functions have been re-implemented
in C++. Please see the convert.sh script for how the conversion was done.
Note that this is an *incomplete* subset of full BLAS/LAPACK.
The files correspond to LAPACK version 3.11.0.
You should only need to build and use the library in this directory if
you want to build LAMMPS with one of the listed packages AND you do not
have any other suitable BLAS and LAPACK libraries installed on your
system (like ATLAS, GOTO-BLAS, OpenBLAS, ACML, MKL and so on).
You can type "make lib-linalg" from the src directory to see help on
how to build this library via make commands, or you can do the same
thing by typing "python Install.py" from within this directory, or you
can do it manually by following the instructions below.
Build the library using one of the provided Makefile.* files or create
your own, specific to your compiler and system. For example:
make -f Makefile.g++
When you are done building this library, one file should exist in this
directory:
liblinalg.a the library LAMMPS will link against
You can then include this library and its path in the Makefile.lammps
file of any packages that need it. As an example, see the
lib/atc/Makefile.lammps.linalg file.
