2013-05-31 01:23:53 +08:00
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This directory has BLAS and LAPACK files needed by the USER-ATC and
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2013-05-31 03:28:38 +08:00
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USER-AWPMD packages, and possibly by other packages in the future.
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2012-01-07 02:15:19 +08:00
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2013-05-31 23:35:54 +08:00
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Note that this is an *incomplete* subset of full BLAS/LAPACK.
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2017-05-05 01:22:20 +08:00
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You should only need to build and use the library in this directory if
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you want to build LAMMPS with the USER-ATC and/or USER-AWPMD packages
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AND you do not have any other suitable BLAS and LAPACK libraries
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installed on your system. E.g. ATLAS, GOTO-BLAS, OpenBLAS, ACML, or
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MKL.
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You can type "make lib-linalg" from the src directory to see help on
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how to build this library via make commands, or you can do the same
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thing by typing "python Install.py" from within this directory, or you
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can do it manually by following the instructions below.
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2012-01-07 02:15:19 +08:00
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2013-05-31 03:28:38 +08:00
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Build the library using one of the provided Makefile.* files or create
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your own, specific to your compiler and system. For example:
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2012-01-07 02:15:19 +08:00
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2013-05-31 03:28:38 +08:00
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make -f Makefile.gfortran
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When you are done building this library, one file should exist in this
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directory:
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2012-01-07 02:15:19 +08:00
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liblinalg.a the library LAMMPS will link against
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2013-05-31 03:28:38 +08:00
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You can then include this library and its path in the Makefile.lammps
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2017-05-05 01:22:20 +08:00
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file of any packages that need it. As an example, see the
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lib/atc/Makefile.lammps.linalg file.
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