LAMMPS

Link	Code Version	Machine	Date
Sandia website	git repo	Keeneland	March 2011

Building with TAU

To start copy over the file Makefile.keeneland to the src/MAKE directory. Then do,

configure TAU:

./configure -mpi -cuda=<cuda dir> -pdt=<pdt dir>
make install

build LAMMPS:

cd src
make yes-user-cuda
cd ../lib/cuda
make lib
cd ../../src
export TAU_MAKEFILE=<path to TAU>/x86_64/lib/Makefile.tau-icpc-mpi-pdt
export TAU_OPTIONS='-optVerbose -optShared'
make keeneland CC=tau_cc.sh CXX=tau_cxx.sh F90=tau_f90.sh LINK=tau_cc.sh

running:

cd examples/USER/cuda
mpirun -np 3 tau_exec -T mpi,cupti,pdt -cupti $(LAMMPS_ROOT)/src/lmp_keeneland -sf cuda -cuda on < in.melt_5.0.cuda

Performance results

File:Lammps 3gpu.ppk