remove references to Make.py from the manual and instead refer to section 4

This commit is contained in:
Axel Kohlmeyer
2017-07-18 13:14:03 -04:00
parent a92d792537
commit 49e6c2eb7d
6 changed files with 19 additions and 38 deletions

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@ -233,8 +233,8 @@ set any needed options for the package via "-pk" "command-line switch"_Section_s
use accelerated styles in your input via "-sf" "command-line switch"_Section_start.html#start_6 or "suffix"_suffix.html command | lmp_machine -in in.script -sf gpu use accelerated styles in your input via "-sf" "command-line switch"_Section_start.html#start_6 or "suffix"_suffix.html command | lmp_machine -in in.script -sf gpu
:tb(c=2,s=|) :tb(c=2,s=|)
Note that the first 4 steps can be done as a single command, using the Note that the first 4 steps can be done as a single command with
src/Make.py tool. This tool is discussed in "Section suitable make command invocations. This is discussed in "Section
4"_Section_packages.html of the manual, and its use is 4"_Section_packages.html of the manual, and its use is
illustrated in the individual accelerator sections. Typically these illustrated in the individual accelerator sections. Typically these
steps only need to be done once, to create an executable that uses one steps only need to be done once, to create an executable that uses one

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@ -74,13 +74,8 @@ Run lammps/lib/gpu/nvc_get_devices (after building the GPU library, see below) t
This requires two steps (a,b): build the GPU library, then build This requires two steps (a,b): build the GPU library, then build
LAMMPS with the GPU package. LAMMPS with the GPU package.
You can do both these steps in one line, using the src/Make.py script, You can do both these steps in one line as described in
described in "Section 4"_Section_packages.html of the manual. "Section 4"_Section_packages.html of the manual.
Type "Make.py -h" for help. If run from the src directory, this
command will create src/lmp_gpu using src/MAKE/Makefile.mpi as the
starting Makefile.machine:
Make.py -p gpu -gpu mode=single arch=31 -o gpu -a lib-gpu file mpi :pre
Or you can follow these two (a,b) steps: Or you can follow these two (a,b) steps:

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@ -225,11 +225,9 @@ source /opt/intel/parallel_studio_xe_2016.3.067/psxevars.sh
# or psxevars.csh for C-shell # or psxevars.csh for C-shell
make intel_cpu_intelmpi :pre make intel_cpu_intelmpi :pre
Alternatively, the build can be accomplished with the src/Make.py Alternatively this can be done as a single command with
script, described in "Section 4"_Section_packages.html of the suitable make command invocations. This is discussed in "Section
manual. Type "Make.py -h" for help. For an example: 4"_Section_packages.html of the manual.
Make.py -v -p intel omp -intel cpu -a file intel_cpu_intelmpi :pre
Note that if you build with support for a Phi coprocessor, the same Note that if you build with support for a Phi coprocessor, the same
binary can be used on nodes with or without coprocessors installed. binary can be used on nodes with or without coprocessors installed.
@ -244,8 +242,7 @@ highly recommended for CCFLAGS and LINKFLAGS. LIB should include
is required for CCFLAGS and "-qoffload" is required for LINKFLAGS. is required for CCFLAGS and "-qoffload" is required for LINKFLAGS.
Other recommended CCFLAG options for best performance are Other recommended CCFLAG options for best performance are
"-O2 -fno-alias -ansi-alias -qoverride-limits fp-model fast=2 "-O2 -fno-alias -ansi-alias -qoverride-limits fp-model fast=2
-no-prec-div". The Make.py command will add all of these -no-prec-div".
automatically.
NOTE: The vectorization and math capabilities can differ depending on NOTE: The vectorization and math capabilities can differ depending on
the CPU. For Intel compilers, the "-x" flag specifies the type of the CPU. For Intel compilers, the "-x" flag specifies the type of

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@ -60,8 +60,7 @@ More details follow.
use a C++11 compatible compiler use a C++11 compatible compiler
make yes-kokkos make yes-kokkos
make mpi KOKKOS_DEVICES=OpenMP # build with the KOKKOS package make mpi KOKKOS_DEVICES=OpenMP # build with the KOKKOS package
make kokkos_omp # or Makefile.kokkos_omp already has variable set make kokkos_omp # or Makefile.kokkos_omp already has variable set :pre
Make.py -v -p kokkos -kokkos omp -o mpi -a file mpi # or one-line build via Make.py :pre
mpirun -np 16 lmp_mpi -k on -sf kk -in in.lj # 1 node, 16 MPI tasks/node, no threads mpirun -np 16 lmp_mpi -k on -sf kk -in in.lj # 1 node, 16 MPI tasks/node, no threads
mpirun -np 2 -ppn 1 lmp_mpi -k on t 16 -sf kk -in in.lj # 2 nodes, 1 MPI task/node, 16 threads/task mpirun -np 2 -ppn 1 lmp_mpi -k on t 16 -sf kk -in in.lj # 2 nodes, 1 MPI task/node, 16 threads/task
@ -82,8 +81,7 @@ use a C++11 compatible compiler
KOKKOS_DEVICES = Cuda, OpenMP KOKKOS_DEVICES = Cuda, OpenMP
KOKKOS_ARCH = Kepler35 KOKKOS_ARCH = Kepler35
make yes-kokkos make yes-kokkos
make machine make machine :pre
Make.py -p kokkos -kokkos cuda arch=31 -o kokkos_cuda -a file kokkos_cuda :pre
mpirun -np 1 lmp_cuda -k on t 6 -sf kk -in in.lj # one MPI task, 6 threads on CPU mpirun -np 1 lmp_cuda -k on t 6 -sf kk -in in.lj # one MPI task, 6 threads on CPU
mpirun -np 4 -ppn 1 lmp_cuda -k on t 6 -sf kk -in in.lj # ditto on 4 nodes :pre mpirun -np 4 -ppn 1 lmp_cuda -k on t 6 -sf kk -in in.lj # ditto on 4 nodes :pre
@ -98,8 +96,7 @@ use a C++11 compatible compiler
KOKKOS_DEVICES = OpenMP KOKKOS_DEVICES = OpenMP
KOKKOS_ARCH = KNC KOKKOS_ARCH = KNC
make yes-kokkos make yes-kokkos
make machine make machine :pre
Make.py -p kokkos -kokkos phi -o kokkos_phi -a file mpi :pre
host=MIC, Intel Phi with 61 cores (240 threads/phi via 4x hardware threading): host=MIC, Intel Phi with 61 cores (240 threads/phi via 4x hardware threading):
mpirun -np 1 lmp_g++ -k on t 240 -sf kk -in in.lj # 1 MPI task on 1 Phi, 1*240 = 240 mpirun -np 1 lmp_g++ -k on t 240 -sf kk -in in.lj # 1 MPI task on 1 Phi, 1*240 = 240
@ -135,9 +132,9 @@ mode like the USER-INTEL package supports.
You must choose at build time whether to build for CPUs (OpenMP), You must choose at build time whether to build for CPUs (OpenMP),
GPUs, or Phi. GPUs, or Phi.
You can do any of these in one line, using the src/Make.py script, You can do any of these in one line, using the suitable make command
described in "Section 4"_Section_packages.html of the manual. line flags as described in "Section 4"_Section_packages.html of the
Type "Make.py -h" for help. If run from the src directory, these manual. If run from the src directory, these
commands will create src/lmp_kokkos_omp, lmp_kokkos_cuda, and commands will create src/lmp_kokkos_omp, lmp_kokkos_cuda, and
lmp_kokkos_phi. Note that the OMP and PHI options use lmp_kokkos_phi. Note that the OMP and PHI options use
src/MAKE/Makefile.mpi as the starting Makefile.machine. The CUDA src/MAKE/Makefile.mpi as the starting Makefile.machine. The CUDA

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@ -23,8 +23,7 @@ one or more 16-core nodes. More details follow.
use -fopenmp with CCFLAGS and LINKFLAGS in Makefile.machine use -fopenmp with CCFLAGS and LINKFLAGS in Makefile.machine
make yes-user-omp make yes-user-omp
make mpi # build with USER-OMP package, if settings added to Makefile.mpi make mpi # build with USER-OMP package, if settings added to Makefile.mpi
make omp # or Makefile.omp already has settings make omp # or Makefile.omp already has settings :pre
Make.py -v -p omp -o mpi -a file mpi # or one-line build via Make.py :pre
lmp_mpi -sf omp -pk omp 16 < in.script # 1 MPI task, 16 threads lmp_mpi -sf omp -pk omp 16 < in.script # 1 MPI task, 16 threads
mpirun -np 4 lmp_mpi -sf omp -pk omp 4 -in in.script # 4 MPI tasks, 4 threads/task mpirun -np 4 lmp_mpi -sf omp -pk omp 4 -in in.script # 4 MPI tasks, 4 threads/task
@ -40,14 +39,11 @@ each MPI task running on a CPU.
The lines above illustrate how to include/build with the USER-OMP The lines above illustrate how to include/build with the USER-OMP
package in two steps, using the "make" command. Or how to do it with package in two steps, using the "make" command. Or how to do it with
one command via the src/Make.py script, described in "Section one command as described in "Section 4"_Section_packages.html of the manual.
4"_Section_packages.html of the manual. Type "Make.py -h" for
help.
Note that the CCFLAGS and LINKFLAGS settings in Makefile.machine must Note that the CCFLAGS and LINKFLAGS settings in Makefile.machine must
include "-fopenmp". Likewise, if you use an Intel compiler, the include "-fopenmp". Likewise, if you use an Intel compiler, the
CCFLAGS setting must include "-restrict". The Make.py command will CCFLAGS setting must include "-restrict".
add these automatically.
[Run with the USER-OMP package from the command line:] [Run with the USER-OMP package from the command line:]

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@ -21,8 +21,7 @@ Here is a quick overview of how to use the OPT package. More details
follow. follow.
make yes-opt make yes-opt
make mpi # build with the OPT package make mpi # build with the OPT package :pre
Make.py -v -p opt -o mpi -a file mpi # or one-line build via Make.py :pre
lmp_mpi -sf opt -in in.script # run in serial lmp_mpi -sf opt -in in.script # run in serial
mpirun -np 4 lmp_mpi -sf opt -in in.script # run in parallel :pre mpirun -np 4 lmp_mpi -sf opt -in in.script # run in parallel :pre
@ -35,13 +34,10 @@ None.
The lines above illustrate how to build LAMMPS with the OPT package in The lines above illustrate how to build LAMMPS with the OPT package in
two steps, using the "make" command. Or how to do it with one command two steps, using the "make" command. Or how to do it with one command
via the src/Make.py script, described in "Section as described in "Section 4"_Section_packages.html of the manual.
4"_Section_packages.html of the manual. Type "Make.py -h" for
help.
Note that if you use an Intel compiler to build with the OPT package, Note that if you use an Intel compiler to build with the OPT package,
the CCFLAGS setting in your Makefile.machine must include "-restrict". the CCFLAGS setting in your Makefile.machine must include "-restrict".
The Make.py command will add this automatically.
[Run with the OPT package from the command line:] [Run with the OPT package from the command line:]