Difference between revisions of "LAMMPS"
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(→Building with TAU) |
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To start copy over the file [[Media:Makefile.keeneland | Makefile.keeneland]] to the src/MAKE directory. Then do, | To start copy over the file [[Media:Makefile.keeneland | 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 | cd src | ||
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make keeneland CC=tau_cc.sh CXX=tau_cxx.sh F90=tau_f90.sh | make keeneland CC=tau_cc.sh CXX=tau_cxx.sh F90=tau_f90.sh | ||
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| − | |||
| − | |||
| − | |||
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running: | running: | ||
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cd examples/USER/cuda | 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 | mpirun -np 3 tau_exec -T mpi,cupti,pdt -cupti $(LAMMPS_ROOT)/src/lmp_keeneland -sf cuda -cuda on < in.melt_5.0.cuda | ||
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== Performance results == | == Performance results == | ||
Revision as of 16:53, 1 May 2012
| 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
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
