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
:tb(c=2,s=|)
Note that the first 4 steps can be done as a single command, using the
src/Make.py tool. This tool is discussed in "Section
Note that the first 4 steps can be done as a single command with
suitable make command invocations. This is discussed in "Section
4"_Section_packages.html of the manual, and its use is
illustrated in the individual accelerator sections. Typically these
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
LAMMPS with the GPU package.
You can do both these steps in one line, using the src/Make.py script,
described in "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
You can do both these steps in one line as described in
"Section 4"_Section_packages.html of the manual.
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
make intel_cpu_intelmpi :pre
Alternatively, the build can be accomplished with the src/Make.py
script, described in "Section 4"_Section_packages.html of the
manual. Type "Make.py -h" for help. For an example:
Make.py -v -p intel omp -intel cpu -a file intel_cpu_intelmpi :pre
Alternatively this can be done as a single command with
suitable make command invocations. This is discussed in "Section
4"_Section_packages.html of the manual.
Note that if you build with support for a Phi coprocessor, the same
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.
Other recommended CCFLAG options for best performance are
"-O2 -fno-alias -ansi-alias -qoverride-limits fp-model fast=2
-no-prec-div". The Make.py command will add all of these
automatically.
-no-prec-div".
NOTE: The vectorization and math capabilities can differ depending on
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
make yes-kokkos
make mpi KOKKOS_DEVICES=OpenMP # build with the KOKKOS package
make kokkos_omp # or Makefile.kokkos_omp already has variable set
Make.py -v -p kokkos -kokkos omp -o mpi -a file mpi # or one-line build via Make.py :pre
make kokkos_omp # or Makefile.kokkos_omp already has variable set :pre
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
@ -82,8 +81,7 @@ use a C++11 compatible compiler
KOKKOS_DEVICES = Cuda, OpenMP
KOKKOS_ARCH = Kepler35
make yes-kokkos
make machine
Make.py -p kokkos -kokkos cuda arch=31 -o kokkos_cuda -a file kokkos_cuda :pre
make machine :pre
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
@ -98,8 +96,7 @@ use a C++11 compatible compiler
KOKKOS_DEVICES = OpenMP
KOKKOS_ARCH = KNC
make yes-kokkos
make machine
Make.py -p kokkos -kokkos phi -o kokkos_phi -a file mpi :pre
make machine :pre
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
@ -135,9 +132,9 @@ mode like the USER-INTEL package supports.
You must choose at build time whether to build for CPUs (OpenMP),
GPUs, or Phi.
You can do any of these in one line, using the src/Make.py script,
described in "Section 4"_Section_packages.html of the manual.
Type "Make.py -h" for help. If run from the src directory, these
You can do any of these in one line, using the suitable make command
line flags as described in "Section 4"_Section_packages.html of the
manual. If run from the src directory, these
commands will create src/lmp_kokkos_omp, lmp_kokkos_cuda, and
lmp_kokkos_phi. Note that the OMP and PHI options use
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
make yes-user-omp
make mpi # build with USER-OMP package, if settings added to Makefile.mpi
make omp # or Makefile.omp already has settings
Make.py -v -p omp -o mpi -a file mpi # or one-line build via Make.py :pre
make omp # or Makefile.omp already has settings :pre
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
@ -40,14 +39,11 @@ each MPI task running on a CPU.
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
one command via the src/Make.py script, described in "Section
4"_Section_packages.html of the manual. Type "Make.py -h" for
help.
one command as described in "Section 4"_Section_packages.html of the manual.
Note that the CCFLAGS and LINKFLAGS settings in Makefile.machine must
include "-fopenmp". Likewise, if you use an Intel compiler, the
CCFLAGS setting must include "-restrict". The Make.py command will
add these automatically.
CCFLAGS setting must include "-restrict".
[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.
make yes-opt
make mpi # build with the OPT package
Make.py -v -p opt -o mpi -a file mpi # or one-line build via Make.py :pre
make mpi # build with the OPT package :pre
lmp_mpi -sf opt -in in.script # run in serial
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
two steps, using the "make" command. Or how to do it with one command
via the src/Make.py script, described in "Section
4"_Section_packages.html of the manual. Type "Make.py -h" for
help.
as described in "Section 4"_Section_packages.html of the manual.
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 Make.py command will add this automatically.
[Run with the OPT package from the command line:]