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update README file for lib/mscg

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Axel Kohlmeyer
2017-08-08 13:55:12 -04:00
parent b7b62f6893
commit c53a84a967
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lib/mscg/README
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@ -6,12 +6,11 @@ The MS-CG library is available at
https://github.com/uchicago-voth/MSCG-release and was developed by https://github.com/uchicago-voth/MSCG-release and was developed by
Jacob Wagner in Greg Voth's group at the University of Chicago. Jacob Wagner in Greg Voth's group at the University of Chicago.
This library requires a compiler with C++11 support (e.g., g++ v4.9+), This library requires a the GNU scientific library (GSL v 2.1+).
LAPACK, and the GNU scientific library (GSL v 2.1+).
You can type "make lib-mscg" from the src directory to see help on how You can type "make lib-mscg" from the src directory to see help on how
to download and build this library via make commands, or you can do to download and build this library via make commands, or you can do
the same thing by typing "python Install.py" from within this the same thing by typing "python Install.py -m <machine>" from within this
directory, or you can do it manually by following the instructions directory, or you can do it manually by following the instructions
below. below.
@ -21,17 +20,17 @@ You must perform the following steps yourself.
1. Download MS-CG at https://github.com/uchicago-voth/MSCG-release 1. Download MS-CG at https://github.com/uchicago-voth/MSCG-release
either as a tarball or via SVN, and unpack the tarball either in either as a tarball or via SVN, and unpack the tarball either in
this /lib/mscg directory or somewhere else on your system. this lib/mscg directory or somewhere else on your system.
2. Ensure that you have GSL installed and a compiler with support for C++11.
2. Ensure that you have LAPACK and GSL (or Intel MKL) as well as a compiler
with support for C++11.
3. Compile MS-CG from within its home directory using your makefile of choice: 3. Compile MS-CG from within its home directory using your makefile of choice:
% make -f Makefile."name" libmscg.a % make -f Makefile.<machine> libmscg.a
It is recommended that you start with Makefile.g++_simple It is recommended that you start with Makefile.g++_simple for
for most machines most machines. There are also two Makefile with settings matching
the "mpi" and "serial" makefiles in the main LAMMPS folder.
4. There is no need to install MS-CG if you only wish 4. There is no need to install MS-CG system-wide if you only wish
to use it from LAMMPS. to use it from LAMMPS.
5. Create two soft links in this dir (lib/mscg) to the MS-CG src 5. Create two soft links in this dir (lib/mscg) to the MS-CG src
@ -43,6 +42,9 @@ You must perform the following steps yourself.
% ln -s /usr/local/include includelink % ln -s /usr/local/include includelink
% ln -s /usr/local/lib liblink % ln -s /usr/local/lib liblink
6. Copy a suitable Makefile.lammps.<machine> to Makefile.lammps or
copy Makefile.lammps.default to Makefile.lammps and edit as needed.
----------------- -----------------
When these steps are complete you can build LAMMPS with the MS-CG When these steps are complete you can build LAMMPS with the MS-CG