37 lines
1.6 KiB
Plaintext
37 lines
1.6 KiB
Plaintext
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.
|
|
|