2013-05-31 01:23:53 +08:00
|
|
|
This directory has BLAS and LAPACK files needed by the USER-ATC and
|
2013-05-31 03:28:38 +08:00
|
|
|
USER-AWPMD packages, and possibly by other packages in the future.
|
2012-01-07 02:15:19 +08:00
|
|
|
|
2013-05-31 23:35:54 +08:00
|
|
|
Note that this is an *incomplete* subset of full BLAS/LAPACK.
|
|
|
|
|
|
|
|
You should only need to build and use the resulting library in this
|
|
|
|
directory if you want to build LAMMPS with the USER-ATC and/or
|
|
|
|
USER-AWPMD packages AND you do not have any other suitable BLAS and
|
|
|
|
LAPACK libraries installed on your system. E.g. ATLAS, GOTO-BLAS,
|
|
|
|
OpenBLAS, ACML, or MKL.
|
2012-01-07 02:15:19 +08:00
|
|
|
|
2013-05-31 03:28:38 +08:00
|
|
|
Build the library using one of the provided Makefile.* files or create
|
|
|
|
your own, specific to your compiler and system. For example:
|
2012-01-07 02:15:19 +08:00
|
|
|
|
2013-05-31 03:28:38 +08:00
|
|
|
make -f Makefile.gfortran
|
|
|
|
|
|
|
|
When you are done building this library, one file should exist in this
|
|
|
|
directory:
|
2012-01-07 02:15:19 +08:00
|
|
|
|
|
|
|
liblinalg.a the library LAMMPS will link against
|
|
|
|
|
2013-05-31 03:28:38 +08:00
|
|
|
You can then include this library and its path in the Makefile.lammps
|
|
|
|
file of any packages that need it, e.g. in lib/atc/Makefile.lammps.
|