Loading lib/mscg/README +13 −11 Original line number Diff line number Diff line Loading @@ -6,12 +6,11 @@ The MS-CG library is available at https://github.com/uchicago-voth/MSCG-release and was developed by 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+), LAPACK, and the GNU scientific library (GSL v 2.1+). This library requires a the GNU scientific library (GSL v 2.1+). 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 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 below. Loading @@ -21,17 +20,17 @@ You must perform the following steps yourself. 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 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 LAPACK and GSL (or Intel MKL) as well as a compiler with support for C++11. 2. Ensure that you have GSL installed and a compiler with support for C++11. 3. Compile MS-CG from within its home directory using your makefile of choice: % make -f Makefile."name" libmscg.a It is recommended that you start with Makefile.g++_simple for most machines % make -f Makefile.<machine> libmscg.a It is recommended that you start with Makefile.g++_simple for 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. 5. Create two soft links in this dir (lib/mscg) to the MS-CG src Loading @@ -43,6 +42,9 @@ You must perform the following steps yourself. % ln -s /usr/local/include includelink % 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 Loading Loading
lib/mscg/README +13 −11 Original line number Diff line number Diff line Loading @@ -6,12 +6,11 @@ The MS-CG library is available at https://github.com/uchicago-voth/MSCG-release and was developed by 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+), LAPACK, and the GNU scientific library (GSL v 2.1+). This library requires a the GNU scientific library (GSL v 2.1+). 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 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 below. Loading @@ -21,17 +20,17 @@ You must perform the following steps yourself. 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 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 LAPACK and GSL (or Intel MKL) as well as a compiler with support for C++11. 2. Ensure that you have GSL installed and a compiler with support for C++11. 3. Compile MS-CG from within its home directory using your makefile of choice: % make -f Makefile."name" libmscg.a It is recommended that you start with Makefile.g++_simple for most machines % make -f Makefile.<machine> libmscg.a It is recommended that you start with Makefile.g++_simple for 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. 5. Create two soft links in this dir (lib/mscg) to the MS-CG src Loading @@ -43,6 +42,9 @@ You must perform the following steps yourself. % ln -s /usr/local/include includelink % 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 Loading
