Prerequisites
openmpi-3.1.4
gnu-6.5
m4-1.4.18
gmp-6.1.0
mpfr-3.1.4
mpc-1.0.3
isl-0.18
gsl-2.1
lammps-15Jun20
Download the latest tar.gz from https://lammps.sandia.gov/
Step 1: Untar LAMMPS
% tar -zxvf lammps-stable.tar.gz
Step 2: Make Standard Packages
% make yes-standard % make no-gpu % make no-mscg
Step 3: Compile message libraries
% cd lammps-15Jun20/lib/message/cslib/src % make lib_parallel zmq=no
Copy and rename the produced cslib/src/libcsmpi.a or libscnompi.a file to cslib/src/libmessage.a
% cp cslib/src/libcsmpi.a to cslib/src/libmessage.a
Copy either lammps-15Jun20/lib/message/Makefile.lammps.zmq or Makefile.lammps.nozmq to lib/message/Makefile.lammps
% cp Makefile.lammps.nozmq to Makefile.lammps
Step 4: Compile poems
% cd lammps-15Jun20/lib/poems % make -f Makefile.g++
Step 5: Compile latte
Download LATTE code and unpack the tarball either in this /lib/latte directory
% git clone https://github.com/lanl/LATTE
Inside lammps-15Jun20/lib/latte/LATTE
Modify the makefile.CHOICES according to your system architecture and compilers
% cd lammps-15Jun20/lib/latte/LATTE % cp makefile.CHOICES makefile.CHOICES.gfort % make
% cd lammps-15Jun20/lib/latte % ln -s ./LATTE/src includelink % ln -s ./LATTE liblink % ln -s ./LATTE/src/latte_c_bind.o filelink.o % cp Makefile.lammps.gfortran Makefile.lammps
Step 6. Compile Voronoi
Download voro++-0.4.6.tar.gz from http://math.lbl.gov/voro++/download/
Untar the voro++-0.4.6.tar.gz inside lammps-15Jun20/lib/voronoi/
% tar -zxvf voro++-0.4.6.tar.gz % cd lammps-15Jun20/lib/voronoi/voro++-0.4.6 % make
Step 7: Compile kim
Download kim from https://openkim.org/doc/usage/obtaining-models . The current version is kim-api-2.1.3.txz
Download at /lammps-15Jun20/lib/kim
% cd lammps-15Jun20/lib/kim % tar Jxvf kim-api-2.1.3.txz
% cd kim-api-2.1.3
% mkdir build
% cd build
% cmake .. -DCMAKE_INSTALL_PREFIX=${PWD}/../../installed-kim-api-X.Y.Z
% make -j2
% cd /lammps-15Jun20/lib/kim//installed-kim-api-2.1.3/
% source ${PWD}/kim-api-X2.1.3/bin/kim-api-activate
% kim-api-collections-management install system EAM_ErcolessiAdams_1994_Al__MO_324507536345_002
Step 8: Compile USER-COLVARS
% cd lammps-15Jun/lib/colvars % make -f Makefile.g++
Step 9: Finally Compile LAMMPS
% cd lammps-15Jun20/src % make g++_openmpi -j 16
You should have binary called lmp_g++_openmpi
Do a softlink
ln -s lmp_g++_openmpi lammps
