forked from lijiext/lammps
update manual links that got broken when removing and renumbering a section
This commit is contained in:
parent
cc9b3864bf
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@ -261,7 +261,6 @@ END_RST -->
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:link(start_6,Section_start.html#start_6)
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:link(start_7,Section_start.html#start_7)
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:link(start_8,Section_start.html#start_8)
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:link(start_9,Section_start.html#start_9)
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:link(cmd_1,Section_commands.html#cmd_1)
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:link(cmd_2,Section_commands.html#cmd_2)
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@ -56,7 +56,7 @@ timings; you can simply extrapolate from short runs.
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For the set of runs, look at the timing data printed to the screen and
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log file at the end of each LAMMPS run. "This
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section"_Section_start.html#start_8 of the manual has an overview.
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section"_Section_start.html#start_7 of the manual has an overview.
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Running on one (or a few processors) should give a good estimate of
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the serial performance and what portions of the timestep are taking
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@ -226,16 +226,16 @@ re-build LAMMPS |
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make machine |
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prepare and test a regular LAMMPS simulation |
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lmp_machine -in in.script; mpirun -np 32 lmp_machine -in in.script |
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enable specific accelerator support via '-k on' "command-line switch"_Section_start.html#start_7, |
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enable specific accelerator support via '-k on' "command-line switch"_Section_start.html#start_6, |
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only needed for KOKKOS package |
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set any needed options for the package via "-pk" "command-line switch"_Section_start.html#start_7 or "package"_package.html command, |
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set any needed options for the package via "-pk" "command-line switch"_Section_start.html#start_6 or "package"_package.html command, |
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only if defaults need to be changed |
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use accelerated styles in your input via "-sf" "command-line switch"_Section_start.html#start_7 or "suffix"_suffix.html command | lmp_machine -in in.script -sf gpu
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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
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:tb(c=2,s=|)
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Note that the first 4 steps can be done as a single command, using the
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src/Make.py tool. This tool is discussed in "Section
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2.4"_Section_start.html#start_4 of the manual, and its use is
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4"_Section_packages.html of the manual, and its use is
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illustrated in the individual accelerator sections. Typically these
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steps only need to be done once, to create an executable that uses one
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or more accelerator packages.
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@ -71,7 +71,7 @@ style", with ... being fix, compute, pair, etc, it means that you
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mistyped the style name or that the command is part of an optional
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package which was not compiled into your executable. The list of
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available styles in your executable can be listed by using "the -h
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command-line argument"_Section_start.html#start_7. The installation
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command-line argument"_Section_start.html#start_6. The installation
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and compilation of optional packages is explained in the "installation
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instructions"_Section_start.html#start_3.
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@ -54,7 +54,7 @@ restart files can be saved to disk using the "restart"_restart.html
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command. At a later time, these binary files can be read via a
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"read_restart"_read_restart.html command in a new script. Or they can
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be converted to text data files using the "-r command-line
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switch"_Section_start.html#start_7 and read by a
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switch"_Section_start.html#start_6 and read by a
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"read_data"_read_data.html command in a new script.
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Here we give examples of 2 scripts that read either a binary restart
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@ -337,7 +337,7 @@ All of the above examples work whether you are running on 1 or
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multiple processors, but assumed you are running LAMMPS on a single
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partition of processors. LAMMPS can be run on multiple partitions via
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the "-partition" command-line switch as described in "this
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section"_Section_start.html#start_7 of the manual.
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section"_Section_start.html#start_6 of the manual.
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In the last 2 examples, if LAMMPS were run on 3 partitions, the same
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scripts could be used if the "index" and "loop" variables were
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@ -387,7 +387,7 @@ for more info on packages.
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In all these cases, you must run with one or more processors per
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replica. The processors assigned to each replica are determined at
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run-time by using the "-partition command-line
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switch"_Section_start.html#start_7 to launch LAMMPS on multiple
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switch"_Section_start.html#start_6 to launch LAMMPS on multiple
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partitions, which in this context are the same as replicas. E.g.
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these commands:
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@ -395,7 +395,7 @@ mpirun -np 16 lmp_linux -partition 8x2 -in in.temper
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mpirun -np 8 lmp_linux -partition 8x1 -in in.neb :pre
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would each run 8 replicas, on either 16 or 8 processors. Note the use
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of the "-in command-line switch"_Section_start.html#start_7 to specify
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of the "-in command-line switch"_Section_start.html#start_6 to specify
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the input script which is required when running in multi-replica mode.
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Also note that with MPI installed on a machine (e.g. your desktop),
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@ -1872,7 +1872,7 @@ void lammps_free(void *) :pre
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The lammps_open() function is used to initialize LAMMPS, passing in a
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list of strings as if they were "command-line
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arguments"_Section_start.html#start_7 when LAMMPS is run in
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arguments"_Section_start.html#start_6 when LAMMPS is run in
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stand-alone mode from the command line, and a MPI communicator for
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LAMMPS to run under. It returns a ptr to the LAMMPS object that is
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created, and which is used in subsequent library calls. The
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@ -369,7 +369,7 @@ suffix in their style name. "Section 5.3.1"_accelerate_gpu.html gives
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details of what hardware and Cuda software is required on your system,
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and details on how to build and use this package. Its styles can be
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invoked at run time via the "-sf gpu" or "-suffix gpu" "command-line
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switches"_Section_start.html#start_7. See also the "KOKKOS"_#KOKKOS
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switches"_Section_start.html#start_6. See also the "KOKKOS"_#KOKKOS
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package, which has GPU-enabled styles.
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[Authors:] Mike Brown (Intel) while at Sandia and ORNL and Trung Nguyen
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@ -427,8 +427,8 @@ src/GPU/README
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lib/gpu/README
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"Section 5.3"_Section_accelerate.html#acc_3
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"Section 5.3.1"_accelerate_gpu.html
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"Section 2.7 -sf gpu"_Section_start.html#start_7
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"Section 2.7 -pk gpu"_Section_start.html#start_7
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"Section 2.6 -sf gpu"_Section_start.html#start_6
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"Section 2.6 -pk gpu"_Section_start.html#start_6
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"package gpu"_package.html
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Pair Styles section of "Section 3.5"_Section_commands.html#cmd_5 for pair styles followed by (g)
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"Benchmarks page"_http://lammps.sandia.gov/bench.html of web site :ul
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@ -529,7 +529,7 @@ style name. "Section 5.3.3"_accelerate_kokkos.html gives details of
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what hardware and software is required on your system, and how to
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build and use this package. Its styles can be invoked at run time via
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the "-sf kk" or "-suffix kk" "command-line
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switches"_Section_start.html#start_7. Also see the "GPU"_#GPU,
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switches"_Section_start.html#start_6. Also see the "GPU"_#GPU,
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"OPT"_#OPT, "USER-INTEL"_#USER-INTEL, and "USER-OMP"_#USER-OMP
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packages, which have styles optimized for CPUs, KNLs, and GPUs.
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@ -597,9 +597,9 @@ src/KOKKOS/README
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lib/kokkos/README
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"Section 5.3"_Section_accelerate.html#acc_3
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"Section 5.3.3"_accelerate_kokkos.html
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"Section 2.7 -k on ..."_Section_start.html#start_7
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"Section 2.7 -sf kk"_Section_start.html#start_7
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"Section 2.7 -pk kokkos"_Section_start.html#start_7
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"Section 2.6 -k on ..."_Section_start.html#start_6
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"Section 2.6 -sf kk"_Section_start.html#start_6
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"Section 2.6 -pk kokkos"_Section_start.html#start_6
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"package kokkos"_package.html
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Styles sections of "Section 3.5"_Section_commands.html#cmd_5 for styles followed by (k)
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"Benchmarks page"_http://lammps.sandia.gov/bench.html of web site :ul
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@ -926,7 +926,7 @@ CHARMM, and Morse potentials. The styles have an "opt" suffix in
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their style name. "Section 5.3.5"_accelerate_opt.html gives details
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of how to build and use this package. Its styles can be invoked at
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run time via the "-sf opt" or "-suffix opt" "command-line
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switches"_Section_start.html#start_7. See also the "KOKKOS"_#KOKKOS,
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switches"_Section_start.html#start_6. See also the "KOKKOS"_#KOKKOS,
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"USER-INTEL"_#USER-INTEL, and "USER-OMP"_#USER-OMP packages, which
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have styles optimized for CPU performance.
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@ -953,7 +953,7 @@ CCFLAGS: add -restrict :ul
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src/OPT: filenames -> commands
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"Section 5.3"_Section_accelerate.html#acc_3
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"Section 5.3.5"_accelerate_opt.html
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"Section 2.7 -sf opt"_Section_start.html#start_7
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"Section 2.6 -sf opt"_Section_start.html#start_6
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Pair Styles section of "Section 3.5"_Section_commands.html#cmd_5 for pair styles followed by (t)
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"Benchmarks page"_http://lammps.sandia.gov/bench.html of web site :ul
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@ -1863,7 +1863,7 @@ All of them have an "intel" in their style name. "Section
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5.3.2"_accelerate_intel.html gives details of what hardware and
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compilers are required on your system, and how to build and use this
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package. Its styles can be invoked at run time via the "-sf intel" or
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"-suffix intel" "command-line switches"_Section_start.html#start_7.
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"-suffix intel" "command-line switches"_Section_start.html#start_6.
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Also see the "KOKKOS"_#KOKKOS, "OPT"_#OPT, and "USER-OMP"_#USER-OMP
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packages, which have styles optimized for CPUs and KNLs.
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@ -1919,8 +1919,8 @@ src/USER-INTEL: filenames -> commands
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src/USER-INTEL/README
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"Section 5.3"_Section_accelerate.html#acc_3
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"Section 5.3.2"_accelerate_gpu.html
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"Section 2.7 -sf intel"_Section_start.html#start_7
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"Section 2.7 -pk intel"_Section_start.html#start_7
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"Section 2.6 -sf intel"_Section_start.html#start_6
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"Section 2.6 -pk intel"_Section_start.html#start_6
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"package intel"_package.html
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Styles sections of "Section 3.5"_Section_commands.html#cmd_5 for styles followed by (i)
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src/USER-INTEL/TEST
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@ -2193,7 +2193,7 @@ via OpenMP directives. All of them have an "omp" in their style name.
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"Section 5.3.4"_accelerate_omp.html gives details of what hardware and
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compilers are required on your system, and how to build and use this
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package. Its styles can be invoked at run time via the "-sf omp" or
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"-suffix omp" "command-line switches"_Section_start.html#start_7.
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"-suffix omp" "command-line switches"_Section_start.html#start_6.
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Also see the "KOKKOS"_#KOKKOS, "OPT"_#OPT, and
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"USER-INTEL"_#USER-INTEL packages, which have styles optimized for
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CPUs.
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@ -2226,8 +2226,8 @@ src/USER-OMP: filenames -> commands
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src/USER-OMP/README
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"Section 5.3"_Section_accelerate.html#acc_3
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"Section 5.3.4"_accelerate_omp.html
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"Section 2.7 -sf omp"_Section_start.html#start_7
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"Section 2.7 -pk omp"_Section_start.html#start_7
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"Section 2.6 -sf omp"_Section_start.html#start_6
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"Section 2.6 -pk omp"_Section_start.html#start_6
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"package omp"_package.html
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Styles sections of "Section 3.5"_Section_commands.html#cmd_5 for styles followed by (o)
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"Benchmarks page"_http://lammps.sandia.gov/bench.html of web site :ul
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@ -198,7 +198,7 @@ file and the shared library.
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11.3 Building LAMMPS as a shared library :link(py_3),h4
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Instructions on how to build LAMMPS as a shared library are given in
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"Section 2.5"_Section_start.html#start_5. A shared library is one
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"Section 2.4"_Section_start.html#start_4. A shared library is one
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that is dynamically loadable, which is what Python requires to wrap
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LAMMPS. On Linux this is a library file that ends in ".so", not ".a".
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@ -217,7 +217,7 @@ NOTE: If you are building LAMMPS with an MPI or FFT library or other
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auxiliary libraries (used by various packages), then all of these
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extra libraries must also be shared libraries. If the LAMMPS
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shared-library build fails with an error complaining about this, see
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"Section 2.5"_Section_start.html#start_5 for more details.
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"Section 2.4"_Section_start.html#start_4 for more details.
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:line
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@ -439,7 +439,7 @@ first importing from the lammps.py file:
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>>> CDLL("liblammps.so") :pre
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If an error occurs, carefully go thru the steps in "Section
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2.5"_Section_start.html#start_5 and above about building a shared
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2.4"_Section_start.html#start_4 and above about building a shared
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library and about insuring Python can find the necessary two files
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it needs.
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@ -14,11 +14,11 @@ experienced users.
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2.1 "What's in the LAMMPS distribution"_#start_1
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2.2 "Making LAMMPS"_#start_2
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2.3 "Making LAMMPS with optional packages"_#start_3
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2.5 "Building LAMMPS as a library"_#start_4
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2.6 "Running LAMMPS"_#start_5
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2.7 "Command-line options"_#start_6
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2.8 "Screen output"_#start_7
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2.9 "Tips for users of previous versions"_#start_8 :all(b)
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2.4 "Building LAMMPS as a library"_#start_4
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2.5 "Running LAMMPS"_#start_5
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2.6 "Command-line options"_#start_6
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2.7 "Screen output"_#start_7
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2.8 "Tips for users of previous versions"_#start_8 :all(b)
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:line
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@ -714,7 +714,7 @@ type
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lmp_machine -h :pre
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to run your executable with the optional "-h command-line
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switch"_#start_7 for "help", which will list the styles and commands
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switch"_#start_6 for "help", which will list the styles and commands
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known to your executable, and immediately exit.
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:line
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@ -54,7 +54,7 @@ specify the # of GPUs per node
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use GPU styles in your input script :ul
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The latter two steps can be done using the "-pk gpu" and "-sf gpu"
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"command-line switches"_Section_start.html#start_7 respectively. Or
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"command-line switches"_Section_start.html#start_6 respectively. Or
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the effect of the "-pk" or "-sf" switches can be duplicated by adding
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the "package gpu"_package.html or "suffix gpu"_suffix.html commands
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respectively to your input script.
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@ -75,7 +75,7 @@ This requires two steps (a,b): build the GPU library, then build
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LAMMPS with the GPU package.
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You can do both these steps in one line, using the src/Make.py script,
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described in "Section 2.4"_Section_start.html#start_4 of the manual.
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described in "Section 4"_Section_packages.html of the manual.
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Type "Make.py -h" for help. If run from the src directory, this
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command will create src/lmp_gpu using src/MAKE/Makefile.mpi as the
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starting Makefile.machine:
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@ -151,9 +151,9 @@ automatically if you create more MPI tasks/node than there are
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GPUs/mode. E.g. with 8 MPI tasks/node and 2 GPUs, each GPU will be
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shared by 4 MPI tasks.
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Use the "-sf gpu" "command-line switch"_Section_start.html#start_7,
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Use the "-sf gpu" "command-line switch"_Section_start.html#start_6,
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which will automatically append "gpu" to styles that support it. Use
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the "-pk gpu Ng" "command-line switch"_Section_start.html#start_7 to
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the "-pk gpu Ng" "command-line switch"_Section_start.html#start_6 to
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set Ng = # of GPUs/node to use.
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lmp_machine -sf gpu -pk gpu 1 -in in.script # 1 MPI task uses 1 GPU
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@ -188,7 +188,7 @@ pair_style lj/cut/gpu 2.5 :pre
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You must also use the "package gpu"_package.html command to enable the
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GPU package, unless the "-sf gpu" or "-pk gpu" "command-line
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switches"_Section_start.html#start_7 were used. It specifies the
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switches"_Section_start.html#start_6 were used. It specifies the
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number of GPUs/node to use, as well as other options.
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[Speed-ups to expect:]
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@ -226,7 +226,7 @@ source /opt/intel/parallel_studio_xe_2016.3.067/psxevars.sh
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make intel_cpu_intelmpi :pre
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Alternatively, the build can be accomplished with the src/Make.py
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script, described in "Section 2.4"_Section_start.html#start_4 of the
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script, described in "Section 4"_Section_packages.html of the
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manual. Type "Make.py -h" for help. For an example:
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Make.py -v -p intel omp -intel cpu -a file intel_cpu_intelmpi :pre
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@ -301,7 +301,7 @@ Hyper-Threading technology disabled.
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To enable USER-INTEL optimizations for all available styles used in
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the input script, the "-sf intel"
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"command-line switch"_Section_start.html#start_7 can be used without
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"command-line switch"_Section_start.html#start_6 can be used without
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any requirement for editing the input script. This switch will
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automatically append "intel" to styles that support it. It also
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invokes a default command: "package intel 1"_package.html. This
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@ -314,7 +314,7 @@ support, that 1 coprocessor per node will be used with automatic
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balancing of work between the CPU and the coprocessor.
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You can specify different options for the USER-INTEL package by using
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the "-pk intel Nphi" "command-line switch"_Section_start.html#start_7
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the "-pk intel Nphi" "command-line switch"_Section_start.html#start_6
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with keyword/value pairs as specified in the documentation. Here,
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Nphi = # of Xeon Phi coprocessors/node (ignored without offload
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support). Common options to the USER-INTEL package include {omp} to
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@ -387,7 +387,7 @@ can performed automatically by using "-sf hybrid intel opt" or
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and "omp" suffixes can be appended manually in the input script. For
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the latter, the "package omp"_package.html command must be in the
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input script or the "-pk omp Nt" "command-line
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switch"_Section_start.html#start_7 must be used where Nt is the
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switch"_Section_start.html#start_6 must be used where Nt is the
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number of OpenMP threads. The number of OpenMP threads should not be
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set differently for the different packages. Note that the "suffix
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hybrid intel omp"_suffix.html command can also be used within the
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@ -486,7 +486,7 @@ sorting"_atom_modify.html is changed to 1 so that the per-atom data is
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effectively sorted at every rebuild of the neighbor lists. All the
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available coprocessor threads on each Phi will be divided among MPI
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tasks, unless the {tptask} option of the "-pk intel" "command-line
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switch"_Section_start.html#start_7 is used to limit the coprocessor
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switch"_Section_start.html#start_6 is used to limit the coprocessor
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threads per MPI task.
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|
||||
[Restrictions:]
|
||||
|
|
|
@ -136,7 +136,7 @@ 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 2.4"_Section_start.html#start_4 of the manual.
|
||||
described in "Section 4"_Section_packages.html of the manual.
|
||||
Type "Make.py -h" for help. 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
|
||||
|
@ -144,7 +144,7 @@ src/MAKE/Makefile.mpi as the starting Makefile.machine. The CUDA
|
|||
option uses src/MAKE/OPTIONS/Makefile.kokkos_cuda.
|
||||
|
||||
The latter two steps can be done using the "-k on", "-pk kokkos" and
|
||||
"-sf kk" "command-line switches"_Section_start.html#start_7
|
||||
"-sf kk" "command-line switches"_Section_start.html#start_6
|
||||
respectively. Or the effect of the "-pk" or "-sf" switches can be
|
||||
duplicated by adding the "package kokkos"_package.html or "suffix
|
||||
kk"_suffix.html commands respectively to your input script.
|
||||
|
@ -280,10 +280,10 @@ specify how many Phi coprocessors there are per node; each
|
|||
coprocessors is simply treated as running some number of MPI tasks.
|
||||
|
||||
You must use the "-k on" "command-line
|
||||
switch"_Section_start.html#start_7 to enable the KOKKOS package. It
|
||||
switch"_Section_start.html#start_6 to enable the KOKKOS package. It
|
||||
takes additional arguments for hardware settings appropriate to your
|
||||
system. Those arguments are "documented
|
||||
here"_Section_start.html#start_7. The two most commonly used
|
||||
here"_Section_start.html#start_6. The two most commonly used
|
||||
options are:
|
||||
|
||||
-k on t Nt g Ng :pre
|
||||
|
@ -304,12 +304,12 @@ The "-k on" switch also issues a "package kokkos" command (with no
|
|||
additional arguments) which sets various KOKKOS options to default
|
||||
values, as discussed on the "package"_package.html command doc page.
|
||||
|
||||
Use the "-sf kk" "command-line switch"_Section_start.html#start_7,
|
||||
Use the "-sf kk" "command-line switch"_Section_start.html#start_6,
|
||||
which will automatically append "kk" to styles that support it. Use
|
||||
the "-pk kokkos" "command-line switch"_Section_start.html#start_7 if
|
||||
the "-pk kokkos" "command-line switch"_Section_start.html#start_6 if
|
||||
you wish to change any of the default "package kokkos"_package.html
|
||||
optionns set by the "-k on" "command-line
|
||||
switch"_Section_start.html#start_7.
|
||||
switch"_Section_start.html#start_6.
|
||||
|
||||
|
||||
|
||||
|
@ -323,7 +323,7 @@ However, when running in MPI-only mode with 1 thread per MPI task, it
|
|||
will typically be faster to use "half" neighbor lists and set the
|
||||
Newton flag to "on", just as is the case for non-accelerated pair
|
||||
styles. You can do this with the "-pk" "command-line
|
||||
switch"_Section_start.html#start_7.
|
||||
switch"_Section_start.html#start_6.
|
||||
|
||||
[Or run with the KOKKOS package by editing an input script:]
|
||||
|
||||
|
@ -332,7 +332,7 @@ appropriate thread and GPU values for host=OMP or host=MIC or
|
|||
device=CUDA are the same.
|
||||
|
||||
You must still use the "-k on" "command-line
|
||||
switch"_Section_start.html#start_7 to enable the KOKKOS package, and
|
||||
switch"_Section_start.html#start_6 to enable the KOKKOS package, and
|
||||
specify its additional arguments for hardware options appropriate to
|
||||
your system, as documented above.
|
||||
|
||||
|
@ -343,7 +343,7 @@ pair_style lj/cut/kk 2.5 :pre
|
|||
|
||||
You only need to use the "package kokkos"_package.html command if you
|
||||
wish to change any of its option defaults, as set by the "-k on"
|
||||
"command-line switch"_Section_start.html#start_7.
|
||||
"command-line switch"_Section_start.html#start_6.
|
||||
|
||||
[Speed-ups to expect:]
|
||||
|
||||
|
@ -389,7 +389,7 @@ If N is the number of physical cores/node, then the number of MPI
|
|||
tasks/node * number of threads/task should not exceed N, and should
|
||||
typically equal N. Note that the default threads/task is 1, as set by
|
||||
the "t" keyword of the "-k" "command-line
|
||||
switch"_Section_start.html#start_7. If you do not change this, no
|
||||
switch"_Section_start.html#start_6. If you do not change this, no
|
||||
additional parallelism (beyond MPI) will be invoked on the host
|
||||
CPU(s).
|
||||
|
||||
|
@ -429,7 +429,7 @@ details).
|
|||
The -np setting of the mpirun command should set the number of MPI
|
||||
tasks/node to be equal to the # of physical GPUs on the node.
|
||||
|
||||
Use the "-k" "command-line switch"_Section_commands.html#start_7 to
|
||||
Use the "-k" "command-line switch"_Section_commands.html#start_6 to
|
||||
specify the number of GPUs per node, and the number of threads per MPI
|
||||
task. As above for multi-core CPUs (and no GPU), if N is the number
|
||||
of physical cores/node, then the number of MPI tasks/node * number of
|
||||
|
|
|
@ -41,7 +41,7 @@ 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
|
||||
2.4"_Section_start.html#start_4 of the manual. Type "Make.py -h" for
|
||||
4"_Section_packages.html of the manual. Type "Make.py -h" for
|
||||
help.
|
||||
|
||||
Note that the CCFLAGS and LINKFLAGS settings in Makefile.machine must
|
||||
|
@ -62,14 +62,14 @@ threads/task should not exceed the physical number of cores (on a
|
|||
node), otherwise performance will suffer.
|
||||
|
||||
As in the lines above, use the "-sf omp" "command-line
|
||||
switch"_Section_start.html#start_7, which will automatically append
|
||||
switch"_Section_start.html#start_6, which will automatically append
|
||||
"omp" to styles that support it. The "-sf omp" switch also issues a
|
||||
default "package omp 0"_package.html command, which will set the
|
||||
number of threads per MPI task via the OMP_NUM_THREADS environment
|
||||
variable.
|
||||
|
||||
You can also use the "-pk omp Nt" "command-line
|
||||
switch"_Section_start.html#start_7, to explicitly set Nt = # of OpenMP
|
||||
switch"_Section_start.html#start_6, to explicitly set Nt = # of OpenMP
|
||||
threads per MPI task to use, as well as additional options. Its
|
||||
syntax is the same as the "package omp"_package.html command whose doc
|
||||
page gives details, including the default values used if it is not
|
||||
|
|
|
@ -36,7 +36,7 @@ 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
|
||||
2.4"_Section_start.html#start_4 of the manual. Type "Make.py -h" for
|
||||
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,
|
||||
|
@ -46,7 +46,7 @@ The Make.py command will add this automatically.
|
|||
[Run with the OPT package from the command line:]
|
||||
|
||||
As in the lines above, use the "-sf opt" "command-line
|
||||
switch"_Section_start.html#start_7, which will automatically append
|
||||
switch"_Section_start.html#start_6, which will automatically append
|
||||
"opt" to styles that support it.
|
||||
|
||||
[Or run with the OPT package by editing an input script:]
|
||||
|
|
|
@ -63,7 +63,7 @@ LAMMPS"_Section_start.html#start_3 section for more info.
|
|||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
switch"_Section_start.html#start_7 when you invoke LAMMPS, or you can
|
||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||
use the "suffix"_suffix.html command in your input script.
|
||||
|
||||
See "Section 5"_Section_accelerate.html of the manual for
|
||||
|
|
|
@ -94,7 +94,7 @@ LAMMPS"_Section_start.html#start_3 section for more info.
|
|||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
switch"_Section_start.html#start_7 when you invoke LAMMPS, or you can
|
||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||
use the "suffix"_suffix.html command in your input script.
|
||||
|
||||
See "Section 5"_Section_accelerate.html of the manual for
|
||||
|
|
|
@ -50,7 +50,7 @@ LAMMPS"_Section_start.html#start_3 section for more info.
|
|||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
switch"_Section_start.html#start_7 when you invoke LAMMPS, or you can
|
||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||
use the "suffix"_suffix.html command in your input script.
|
||||
|
||||
See "Section 5"_Section_accelerate.html of the manual for
|
||||
|
|
|
@ -55,7 +55,7 @@ LAMMPS"_Section_start.html#start_3 section for more info.
|
|||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
switch"_Section_start.html#start_7 when you invoke LAMMPS, or you can
|
||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||
use the "suffix"_suffix.html command in your input script.
|
||||
|
||||
See "Section 5"_Section_accelerate.html of the manual for
|
||||
|
|
|
@ -63,7 +63,7 @@ LAMMPS"_Section_start.html#start_3 section for more info.
|
|||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
switch"_Section_start.html#start_7 when you invoke LAMMPS, or you can
|
||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||
use the "suffix"_suffix.html command in your input script.
|
||||
|
||||
See "Section 5"_Section_accelerate.html of the manual for
|
||||
|
|
|
@ -53,7 +53,7 @@ LAMMPS"_Section_start.html#start_3 section for more info.
|
|||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
switch"_Section_start.html#start_7 when you invoke LAMMPS, or you can
|
||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||
use the "suffix"_suffix.html command in your input script.
|
||||
|
||||
See "Section 5"_Section_accelerate.html of the manual for
|
||||
|
|
|
@ -65,7 +65,7 @@ LAMMPS"_Section_start.html#start_3 section for more info.
|
|||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
switch"_Section_start.html#start_7 when you invoke LAMMPS, or you can
|
||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||
use the "suffix"_suffix.html command in your input script.
|
||||
|
||||
See "Section 5"_Section_accelerate.html of the manual for
|
||||
|
|
|
@ -55,7 +55,7 @@ LAMMPS"_Section_start.html#start_3 section for more info.
|
|||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
switch"_Section_start.html#start_7 when you invoke LAMMPS, or you can
|
||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||
use the "suffix"_suffix.html command in your input script.
|
||||
|
||||
See "Section 5"_Section_accelerate.html of the manual for
|
||||
|
|
|
@ -51,7 +51,7 @@ LAMMPS"_Section_start.html#start_3 section for more info.
|
|||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
switch"_Section_start.html#start_7 when you invoke LAMMPS, or you can
|
||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||
use the "suffix"_suffix.html command in your input script.
|
||||
|
||||
See "Section 5"_Section_accelerate.html of the manual for
|
||||
|
|
|
@ -50,7 +50,7 @@ LAMMPS"_Section_start.html#start_3 section for more info.
|
|||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
switch"_Section_start.html#start_7 when you invoke LAMMPS, or you can
|
||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||
use the "suffix"_suffix.html command in your input script.
|
||||
|
||||
See "Section 5"_Section_accelerate.html of the manual for
|
||||
|
|
|
@ -57,7 +57,7 @@ LAMMPS"_Section_start.html#start_3 section for more info.
|
|||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
switch"_Section_start.html#start_7 when you invoke LAMMPS, or you can
|
||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||
use the "suffix"_suffix.html command in your input script.
|
||||
|
||||
See "Section 5"_Section_accelerate.html of the manual for
|
||||
|
|
|
@ -57,7 +57,7 @@ LAMMPS"_Section_start.html#start_3 section for more info.
|
|||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
switch"_Section_start.html#start_7 when you invoke LAMMPS, or you can
|
||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||
use the "suffix"_suffix.html command in your input script.
|
||||
|
||||
See "Section 5"_Section_accelerate.html of the manual for
|
||||
|
|
|
@ -136,7 +136,7 @@ LAMMPS"_Section_start.html#start_3 section for more info.
|
|||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
switch"_Section_start.html#start_7 when you invoke LAMMPS, or you can
|
||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||
use the "suffix"_suffix.html command in your input script.
|
||||
|
||||
See "Section 5"_Section_accelerate.html of the manual for
|
||||
|
|
|
@ -394,7 +394,7 @@ weights. It assigns the same weight to each particle owned by a
|
|||
processor based on the total computational time spent by that
|
||||
processor. See details below on what time window is used. It uses
|
||||
the same timing information as is used for the "MPI task timing
|
||||
breakdown"_Section_start.html#start_8, namely, for sections {Pair},
|
||||
breakdown"_Section_start.html#start_7, namely, for sections {Pair},
|
||||
{Bond}, {Kspace}, and {Neigh}. The time spent in those portions of
|
||||
the timestep are measured for each MPI rank, summed, then divided by
|
||||
the number of particles owned by that processor. I.e. the weight is
|
||||
|
|
|
@ -56,7 +56,7 @@ LAMMPS"_Section_start.html#start_3 section for more info.
|
|||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
switch"_Section_start.html#start_7 when you invoke LAMMPS, or you can
|
||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||
use the "suffix"_suffix.html command in your input script.
|
||||
|
||||
See "Section 5"_Section_accelerate.html of the manual for
|
||||
|
|
|
@ -59,7 +59,7 @@ LAMMPS"_Section_start.html#start_3 section for more info.
|
|||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
switch"_Section_start.html#start_7 when you invoke LAMMPS, or you can
|
||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||
use the "suffix"_suffix.html command in your input script.
|
||||
|
||||
See "Section 5"_Section_accelerate.html of the manual for
|
||||
|
|
|
@ -62,7 +62,7 @@ LAMMPS"_Section_start.html#start_3 section for more info.
|
|||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
switch"_Section_start.html#start_7 when you invoke LAMMPS, or you can
|
||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||
use the "suffix"_suffix.html command in your input script.
|
||||
|
||||
See "Section 5"_Section_accelerate.html of the manual for
|
||||
|
|
|
@ -54,7 +54,7 @@ LAMMPS"_Section_start.html#start_3 section for more info.
|
|||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
switch"_Section_start.html#start_7 when you invoke LAMMPS, or you can
|
||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||
use the "suffix"_suffix.html command in your input script.
|
||||
|
||||
See "Section 5"_Section_accelerate.html of the manual for
|
||||
|
|
|
@ -55,7 +55,7 @@ LAMMPS"_Section_start.html#start_3 section for more info.
|
|||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
switch"_Section_start.html#start_7 when you invoke LAMMPS, or you can
|
||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||
use the "suffix"_suffix.html command in your input script.
|
||||
|
||||
See "Section 5"_Section_accelerate.html of the manual for
|
||||
|
|
|
@ -55,7 +55,7 @@ LAMMPS"_Section_start.html#start_3 section for more info.
|
|||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
switch"_Section_start.html#start_7 when you invoke LAMMPS, or you can
|
||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||
use the "suffix"_suffix.html command in your input script.
|
||||
|
||||
See "Section 5"_Section_accelerate.html of the manual for
|
||||
|
|
|
@ -53,7 +53,7 @@ LAMMPS"_Section_start.html#start_3 section for more info.
|
|||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
switch"_Section_start.html#start_7 when you invoke LAMMPS, or you can
|
||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||
use the "suffix"_suffix.html command in your input script.
|
||||
|
||||
See "Section 5"_Section_accelerate.html of the manual for
|
||||
|
|
|
@ -53,7 +53,7 @@ LAMMPS"_Section_start.html#start_3 section for more info.
|
|||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
switch"_Section_start.html#start_7 when you invoke LAMMPS, or you can
|
||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||
use the "suffix"_suffix.html command in your input script.
|
||||
|
||||
See "Section 5"_Section_accelerate.html of the manual for
|
||||
|
|
|
@ -88,7 +88,7 @@ LAMMPS"_Section_start.html#start_3 section for more info.
|
|||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
switch"_Section_start.html#start_7 when you invoke LAMMPS, or you can
|
||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||
use the "suffix"_suffix.html command in your input script.
|
||||
|
||||
See "Section 5"_Section_accelerate.html of the manual for
|
||||
|
|
|
@ -133,7 +133,7 @@ LAMMPS"_Section_start.html#start_3 section for more info.
|
|||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
switch"_Section_start.html#start_7 when you invoke LAMMPS, or you can
|
||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||
use the "suffix"_suffix.html command in your input script.
|
||||
|
||||
See "Section 5"_Section_accelerate.html of the manual for
|
||||
|
|
|
@ -117,7 +117,7 @@ LAMMPS"_Section_start.html#start_3 section for more info.
|
|||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
switch"_Section_start.html#start_7 when you invoke LAMMPS, or you can
|
||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||
use the "suffix"_suffix.html command in your input script.
|
||||
|
||||
See "Section 5"_Section_accelerate.html of the manual for
|
||||
|
|
|
@ -79,7 +79,7 @@ LAMMPS"_Section_start.html#start_3 section for more info.
|
|||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
switch"_Section_start.html#start_7 when you invoke LAMMPS, or you can
|
||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||
use the "suffix"_suffix.html command in your input script.
|
||||
|
||||
See "Section 5"_Section_accelerate.html of the manual for
|
||||
|
|
|
@ -86,7 +86,7 @@ LAMMPS"_Section_start.html#start_3 section for more info.
|
|||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
switch"_Section_start.html#start_7 when you invoke LAMMPS, or you can
|
||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||
use the "suffix"_suffix.html command in your input script.
|
||||
|
||||
See "Section 5"_Section_accelerate.html of the manual for
|
||||
|
|
|
@ -128,7 +128,7 @@ LAMMPS"_Section_start.html#start_3 section for more info.
|
|||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
switch"_Section_start.html#start_7 when you invoke LAMMPS, or you can
|
||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||
use the "suffix"_suffix.html command in your input script.
|
||||
|
||||
See "Section 5"_Section_accelerate.html of the manual for
|
||||
|
|
|
@ -153,7 +153,7 @@ LAMMPS"_Section_start.html#start_3 section for more info.
|
|||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
switch"_Section_start.html#start_7 when you invoke LAMMPS, or you can
|
||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||
use the "suffix"_suffix.html command in your input script.
|
||||
|
||||
See "Section 5"_Section_accelerate.html of the manual for
|
||||
|
|
|
@ -64,7 +64,7 @@ LAMMPS"_Section_start.html#start_3 section for more info.
|
|||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
switch"_Section_start.html#start_7 when you invoke LAMMPS, or you can
|
||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||
use the "suffix"_suffix.html command in your input script.
|
||||
|
||||
See "Section 5"_Section_accelerate.html of the manual for
|
||||
|
|
|
@ -55,7 +55,7 @@ LAMMPS"_Section_start.html#start_3 section for more info.
|
|||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
switch"_Section_start.html#start_7 when you invoke LAMMPS, or you can
|
||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||
use the "suffix"_suffix.html command in your input script.
|
||||
|
||||
See "Section 5"_Section_accelerate.html of the manual for
|
||||
|
|
|
@ -65,7 +65,7 @@ LAMMPS"_Section_start.html#start_3 section for more info.
|
|||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
switch"_Section_start.html#start_7 when you invoke LAMMPS, or you can
|
||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||
use the "suffix"_suffix.html command in your input script.
|
||||
|
||||
See "Section 5"_Section_accelerate.html of the manual for
|
||||
|
|
|
@ -58,7 +58,7 @@ LAMMPS"_Section_start.html#start_3 section for more info.
|
|||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
switch"_Section_start.html#start_7 when you invoke LAMMPS, or you can
|
||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||
use the "suffix"_suffix.html command in your input script.
|
||||
|
||||
See "Section 5"_Section_accelerate.html of the manual for
|
||||
|
|
|
@ -52,7 +52,7 @@ LAMMPS"_Section_start.html#start_3 section for more info.
|
|||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
switch"_Section_start.html#start_7 when you invoke LAMMPS, or you can
|
||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||
use the "suffix"_suffix.html command in your input script.
|
||||
|
||||
See "Section 5"_Section_accelerate.html of the manual for
|
||||
|
|
|
@ -52,7 +52,7 @@ LAMMPS"_Section_start.html#start_3 section for more info.
|
|||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
switch"_Section_start.html#start_7 when you invoke LAMMPS, or you can
|
||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||
use the "suffix"_suffix.html command in your input script.
|
||||
|
||||
See "Section 5"_Section_accelerate.html of the manual for
|
||||
|
|
|
@ -60,7 +60,7 @@ LAMMPS"_Section_start.html#start_3 section for more info.
|
|||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
switch"_Section_start.html#start_7 when you invoke LAMMPS, or you can
|
||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||
use the "suffix"_suffix.html command in your input script.
|
||||
|
||||
See "Section 5"_Section_accelerate.html of the manual for
|
||||
|
|
|
@ -53,7 +53,7 @@ LAMMPS"_Section_start.html#start_3 section for more info.
|
|||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
switch"_Section_start.html#start_7 when you invoke LAMMPS, or you can
|
||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||
use the "suffix"_suffix.html command in your input script.
|
||||
|
||||
See "Section 5"_Section_accelerate.html of the manual for
|
||||
|
|
|
@ -26,7 +26,7 @@ command to the screen and/or log file as it is read and processed. If
|
|||
an input script has errors, it can be useful to look at echoed output
|
||||
to see the last command processed.
|
||||
|
||||
The "command-line switch"_Section_start.html#start_5 -echo can be used
|
||||
The "command-line switch"_Section_start.html#start_6 -echo can be used
|
||||
in place of this command.
|
||||
|
||||
[Restrictions:] none
|
||||
|
|
|
@ -117,7 +117,7 @@ LAMMPS"_Section_start.html#start_3 section for more info.
|
|||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
switch"_Section_start.html#start_7 when you invoke LAMMPS, or you can
|
||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||
use the "suffix"_suffix.html command in your input script.
|
||||
|
||||
See "Section 5"_Section_accelerate.html of the manual for
|
||||
|
|
|
@ -77,7 +77,7 @@ LAMMPS"_Section_start.html#start_3 section for more info.
|
|||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
switch"_Section_start.html#start_7 when you invoke LAMMPS, or you can
|
||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||
use the "suffix"_suffix.html command in your input script.
|
||||
|
||||
See "Section 5"_Section_accelerate.html of the manual for
|
||||
|
|
|
@ -557,7 +557,7 @@ LAMMPS"_Section_start.html#start_3 section for more info.
|
|||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
switch"_Section_start.html#start_7 when you invoke LAMMPS, or you can
|
||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||
use the "suffix"_suffix.html command in your input script.
|
||||
|
||||
See "Section 5"_Section_accelerate.html of the manual for
|
||||
|
|
|
@ -41,7 +41,7 @@ LAMMPS"_Section_start.html#start_3 section for more info.
|
|||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
switch"_Section_start.html#start_7 when you invoke LAMMPS, or you can
|
||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||
use the "suffix"_suffix.html command in your input script.
|
||||
|
||||
See "Section 5"_Section_accelerate.html of the manual for
|
||||
|
|
|
@ -45,7 +45,7 @@ LAMMPS"_Section_start.html#start_3 section for more info.
|
|||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
switch"_Section_start.html#start_7 when you invoke LAMMPS, or you can
|
||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||
use the "suffix"_suffix.html command in your input script.
|
||||
|
||||
See "Section 5"_Section_accelerate.html of the manual for
|
||||
|
|
|
@ -102,7 +102,7 @@ LAMMPS"_Section_start.html#start_3 section for more info.
|
|||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
switch"_Section_start.html#start_7 when you invoke LAMMPS, or you can
|
||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||
use the "suffix"_suffix.html command in your input script.
|
||||
|
||||
See "Section 5"_Section_accelerate.html of the manual for
|
||||
|
|
|
@ -276,7 +276,7 @@ LAMMPS"_Section_start.html#start_3 section for more info.
|
|||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
switch"_Section_start.html#start_7 when you invoke LAMMPS, or you can
|
||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||
use the "suffix"_suffix.html command in your input script.
|
||||
|
||||
See "Section 5"_Section_accelerate.html of the manual for
|
||||
|
|
|
@ -73,7 +73,7 @@ LAMMPS"_Section_start.html#start_3 section for more info.
|
|||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
switch"_Section_start.html#start_7 when you invoke LAMMPS, or you can
|
||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||
use the "suffix"_suffix.html command in your input script.
|
||||
|
||||
See "Section 5"_Section_accelerate.html of the manual for
|
||||
|
|
|
@ -492,7 +492,7 @@ LAMMPS"_Section_start.html#start_3 section for more info.
|
|||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
switch"_Section_start.html#start_7 when you invoke LAMMPS, or you can
|
||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||
use the "suffix"_suffix.html command in your input script.
|
||||
|
||||
See "Section 5"_Section_accelerate.html of the manual for
|
||||
|
|
|
@ -93,7 +93,7 @@ LAMMPS"_Section_start.html#start_3 section for more info.
|
|||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
switch"_Section_start.html#start_7 when you invoke LAMMPS, or you can
|
||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||
use the "suffix"_suffix.html command in your input script.
|
||||
|
||||
See "Section 5"_Section_accelerate.html of the manual for
|
||||
|
|
|
@ -92,7 +92,7 @@ LAMMPS"_Section_start.html#start_3 section for more info.
|
|||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
switch"_Section_start.html#start_7 when you invoke LAMMPS, or you can
|
||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||
use the "suffix"_suffix.html command in your input script.
|
||||
|
||||
See "Section 5"_Section_accelerate.html of the manual for
|
||||
|
|
|
@ -102,7 +102,7 @@ LAMMPS"_Section_start.html#start_3 section for more info.
|
|||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
switch"_Section_start.html#start_7 when you invoke LAMMPS, or you can
|
||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||
use the "suffix"_suffix.html command in your input script.
|
||||
|
||||
See "Section 5"_Section_accelerate.html of the manual for
|
||||
|
|
|
@ -152,7 +152,7 @@ LAMMPS"_Section_start.html#start_3 section for more info.
|
|||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
switch"_Section_start.html#start_7 when you invoke LAMMPS, or you can
|
||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||
use the "suffix"_suffix.html command in your input script.
|
||||
|
||||
See "Section 5"_Section_accelerate.html of the manual for
|
||||
|
|
|
@ -117,7 +117,7 @@ LAMMPS"_Section_start.html#start_3 section for more info.
|
|||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
switch"_Section_start.html#start_7 when you invoke LAMMPS, or you can
|
||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||
use the "suffix"_suffix.html command in your input script.
|
||||
|
||||
See "Section 5"_Section_accelerate.html of the manual for
|
||||
|
|
|
@ -116,7 +116,7 @@ LAMMPS"_Section_start.html#start_3 section for more info.
|
|||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
switch"_Section_start.html#start_7 when you invoke LAMMPS, or you can
|
||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||
use the "suffix"_suffix.html command in your input script.
|
||||
|
||||
See "Section 5"_Section_accelerate.html of the manual for
|
||||
|
|
|
@ -127,7 +127,7 @@ LAMMPS"_Section_start.html#start_3 section for more info.
|
|||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
switch"_Section_start.html#start_7 when you invoke LAMMPS, or you can
|
||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||
use the "suffix"_suffix.html command in your input script.
|
||||
|
||||
See "Section 5"_Section_accelerate.html of the manual for
|
||||
|
|
|
@ -46,7 +46,7 @@ LAMMPS"_Section_start.html#start_3 section for more info.
|
|||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
switch"_Section_start.html#start_7 when you invoke LAMMPS, or you can
|
||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||
use the "suffix"_suffix.html command in your input script.
|
||||
|
||||
See "Section 5"_Section_accelerate.html of the manual for
|
||||
|
|
|
@ -57,7 +57,7 @@ LAMMPS"_Section_start.html#start_3 section for more info.
|
|||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
switch"_Section_start.html#start_7 when you invoke LAMMPS, or you can
|
||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||
use the "suffix"_suffix.html command in your input script.
|
||||
|
||||
See "Section 5"_Section_accelerate.html of the manual for
|
||||
|
|
|
@ -77,7 +77,7 @@ LAMMPS"_Section_start.html#start_3 section for more info.
|
|||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
switch"_Section_start.html#start_7 when you invoke LAMMPS, or you can
|
||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||
use the "suffix"_suffix.html command in your input script.
|
||||
|
||||
See "Section 5"_Section_accelerate.html of the manual for
|
||||
|
|
|
@ -98,7 +98,7 @@ LAMMPS"_Section_start.html#start_3 section for more info.
|
|||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
switch"_Section_start.html#start_7 when you invoke LAMMPS, or you can
|
||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||
use the "suffix"_suffix.html command in your input script.
|
||||
|
||||
See "Section 5"_Section_accelerate.html of the manual for
|
||||
|
|
|
@ -97,7 +97,7 @@ LAMMPS"_Section_start.html#start_3 section for more info.
|
|||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
switch"_Section_start.html#start_7 when you invoke LAMMPS, or you can
|
||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||
use the "suffix"_suffix.html command in your input script.
|
||||
|
||||
See "Section 5"_Section_accelerate.html of the manual for
|
||||
|
|
|
@ -121,7 +121,7 @@ LAMMPS"_Section_start.html#start_3 section for more info.
|
|||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
switch"_Section_start.html#start_7 when you invoke LAMMPS, or you can
|
||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||
use the "suffix"_suffix.html command in your input script.
|
||||
|
||||
See "Section 5"_Section_accelerate.html of the manual for
|
||||
|
|
|
@ -108,7 +108,7 @@ LAMMPS"_Section_start.html#start_3 section for more info.
|
|||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
switch"_Section_start.html#start_7 when you invoke LAMMPS, or you can
|
||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||
use the "suffix"_suffix.html command in your input script.
|
||||
|
||||
See "Section 5"_Section_accelerate.html of the manual for
|
||||
|
|
|
@ -74,7 +74,7 @@ LAMMPS"_Section_start.html#start_3 section for more info.
|
|||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
switch"_Section_start.html#start_7 when you invoke LAMMPS, or you can
|
||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||
use the "suffix"_suffix.html command in your input script.
|
||||
|
||||
See "Section 5"_Section_accelerate.html of the manual for
|
||||
|
|
|
@ -92,7 +92,7 @@ LAMMPS"_Section_start.html#start_3 section for more info.
|
|||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
switch"_Section_start.html#start_7 when you invoke LAMMPS, or you can
|
||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||
use the "suffix"_suffix.html command in your input script.
|
||||
|
||||
See "Section 5"_Section_accelerate.html of the manual for
|
||||
|
|
|
@ -82,7 +82,7 @@ LAMMPS"_Section_start.html#start_3 section for more info.
|
|||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
switch"_Section_start.html#start_7 when you invoke LAMMPS, or you can
|
||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||
use the "suffix"_suffix.html command in your input script.
|
||||
|
||||
See "Section_accelerate"_Section_accelerate.html of the manual for
|
||||
|
|
|
@ -151,7 +151,7 @@ LAMMPS"_Section_start.html#start_3 section for more info.
|
|||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
switch"_Section_start.html#start_7 when you invoke LAMMPS, or you can
|
||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||
use the "suffix"_suffix.html command in your input script.
|
||||
|
||||
See "Section_accelerate"_Section_accelerate.html of the manual for
|
||||
|
|
|
@ -676,7 +676,7 @@ LAMMPS"_Section_start.html#start_3 section for more info.
|
|||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
switch"_Section_start.html#start_7 when you invoke LAMMPS, or you can
|
||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||
use the "suffix"_suffix.html command in your input script.
|
||||
|
||||
See "Section 5"_Section_accelerate.html of the manual for
|
||||
|
|
|
@ -82,7 +82,7 @@ LAMMPS"_Section_start.html#start_3 section for more info.
|
|||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
switch"_Section_start.html#start_7 when you invoke LAMMPS, or you can
|
||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||
use the "suffix"_suffix.html command in your input script.
|
||||
|
||||
See "Section 5"_Section_accelerate.html of the manual for
|
||||
|
|
|
@ -159,7 +159,7 @@ LAMMPS"_Section_start.html#start_3 section for more info.
|
|||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
switch"_Section_start.html#start_7 when you invoke LAMMPS, or you can
|
||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||
use the "suffix"_suffix.html command in your input script.
|
||||
|
||||
See "Section 5"_Section_accelerate.html of the manual for
|
||||
|
|
|
@ -142,7 +142,7 @@ LAMMPS"_Section_start.html#start_3 section for more info.
|
|||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
switch"_Section_start.html#start_7 when you invoke LAMMPS, or you can
|
||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||
use the "suffix"_suffix.html command in your input script.
|
||||
|
||||
See "Section 5"_Section_accelerate.html of the manual for
|
||||
|
|
|
@ -99,7 +99,7 @@ LAMMPS"_Section_start.html#start_3 section for more info.
|
|||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
switch"_Section_start.html#start_7 when you invoke LAMMPS, or you can
|
||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||
use the "suffix"_suffix.html command in your input script.
|
||||
|
||||
See "Section 5"_Section_accelerate.html of the manual for
|
||||
|
|
|
@ -65,7 +65,7 @@ LAMMPS"_Section_start.html#start_3 section for more info.
|
|||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
switch"_Section_start.html#start_7 when you invoke LAMMPS, or you can
|
||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||
use the "suffix"_suffix.html command in your input script.
|
||||
|
||||
See "Section 5"_Section_accelerate.html of the manual for
|
||||
|
|
|
@ -66,7 +66,7 @@ LAMMPS"_Section_start.html#start_3 section for more info.
|
|||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
switch"_Section_start.html#start_7 when you invoke LAMMPS, or you can
|
||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||
use the "suffix"_suffix.html command in your input script.
|
||||
|
||||
See "Section 5"_Section_accelerate.html of the manual for
|
||||
|
|
|
@ -60,7 +60,7 @@ LAMMPS"_Section_start.html#start_3 section for more info.
|
|||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
switch"_Section_start.html#start_7 when you invoke LAMMPS, or you can
|
||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||
use the "suffix"_suffix.html command in your input script.
|
||||
|
||||
See "Section 5"_Section_accelerate.html of the manual for
|
||||
|
|
|
@ -70,7 +70,7 @@ LAMMPS"_Section_start.html#start_3 section for more info.
|
|||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
switch"_Section_start.html#start_7 when you invoke LAMMPS, or you can
|
||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||
use the "suffix"_suffix.html command in your input script.
|
||||
|
||||
See "Section 5"_Section_accelerate.html of the manual for
|
||||
|
|
|
@ -69,7 +69,7 @@ LAMMPS"_Section_start.html#start_3 section for more info.
|
|||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
switch"_Section_start.html#start_7 when you invoke LAMMPS, or you can
|
||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||
use the "suffix"_suffix.html command in your input script.
|
||||
|
||||
See "Section 5"_Section_accelerate.html of the manual for
|
||||
|
|
|
@ -63,7 +63,7 @@ LAMMPS"_Section_start.html#start_3 section for more info.
|
|||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
switch"_Section_start.html#start_7 when you invoke LAMMPS, or you can
|
||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||
use the "suffix"_suffix.html command in your input script.
|
||||
|
||||
See "Section 5"_Section_accelerate.html of the manual for
|
||||
|
|
|
@ -40,12 +40,12 @@ lmp_g++ < in.script :pre
|
|||
since the SELF option invokes the C-library rewind() call, which may
|
||||
not be supported for stdin on some systems or by some MPI
|
||||
implementations. This can be worked around by using the "-in
|
||||
command-line argument"_Section_start.html#start_7, e.g.
|
||||
command-line argument"_Section_start.html#start_6, e.g.
|
||||
|
||||
lmp_g++ -in in.script :pre
|
||||
|
||||
or by using the "-var command-line
|
||||
argument"_Section_start.html#start_7 to pass the script name as a
|
||||
argument"_Section_start.html#start_6 to pass the script name as a
|
||||
variable to the input script. In the latter case, a
|
||||
"variable"_variable.html called "fname" could be used in place of
|
||||
SELF, e.g.
|
||||
|
|
|
@ -34,7 +34,7 @@ the same log file.
|
|||
|
||||
The file "log.lammps" is the default log file for a LAMMPS run. The
|
||||
name of the initial log file can also be set by the command-line
|
||||
switch -log. See "Section 2.7"_Section_start.html#start_7 for
|
||||
switch -log. See "Section 2.6"_Section_start.html#start_6 for
|
||||
details.
|
||||
|
||||
[Restrictions:] none
|
||||
|
|
|
@ -51,7 +51,7 @@ follows the discussion in these 4 papers: "(HenkelmanA)"_#HenkelmanA,
|
|||
|
||||
Each replica runs on a partition of one or more processors. Processor
|
||||
partitions are defined at run-time using the -partition command-line
|
||||
switch; see "Section 2.7"_Section_start.html#start_7 of the manual.
|
||||
switch; see "Section 2.6"_Section_start.html#start_6 of the manual.
|
||||
Note that if you have MPI installed, you can run a multi-replica
|
||||
simulation with more replicas (partitions) than you have physical
|
||||
processors, e.g you can run a 10-replica simulation on just one or two
|
||||
|
|
|
@ -66,7 +66,7 @@ stored in the list.
|
|||
When a run is finished, counts of the number of neighbors stored in
|
||||
the pairwise list and the number of times neighbor lists were built
|
||||
are printed to the screen and log file. See "this
|
||||
section"_Section_start.html#start_8 for details.
|
||||
section"_Section_start.html#start_7 for details.
|
||||
|
||||
[Restrictions:] none
|
||||
|
||||
|
|
|
@ -71,7 +71,7 @@ next value (for each variable) is assigned to whichever processor
|
|||
partition executes the command first. All processors in the partition
|
||||
are assigned the same value(s). Running LAMMPS on multiple partitions
|
||||
of processors via the "-partition" command-line switch is described in
|
||||
"this section"_Section_start.html#start_7 of the manual. {Universe}-
|
||||
"this section"_Section_start.html#start_6 of the manual. {Universe}-
|
||||
and {uloop}-style variables are incremented using the files
|
||||
"tmp.lammps.variable" and "tmp.lammps.variable.lock" which you will
|
||||
see in your directory during and after such a LAMMPS run.
|
||||
|
|
|
@ -115,7 +115,7 @@ their initialization, before a simulation is defined.
|
|||
|
||||
This command can also be specified from the command-line when
|
||||
launching LAMMPS, using the "-pk" "command-line
|
||||
switch"_Section_start.html#start_7. The syntax is exactly the same as
|
||||
switch"_Section_start.html#start_6. The syntax is exactly the same as
|
||||
when used in an input script.
|
||||
|
||||
Note that all of the accelerator packages require the package command
|
||||
|
@ -126,18 +126,18 @@ a default version of the command is typically invoked by other
|
|||
accelerator settings.
|
||||
|
||||
The KOKKOS package requires a "-k on" "command-line
|
||||
switch"_Section_start.html#start_7 respectively, which invokes a
|
||||
switch"_Section_start.html#start_6 respectively, which invokes a
|
||||
"package kokkos" command with default settings.
|
||||
|
||||
For the GPU, USER-INTEL, and USER-OMP packages, if a "-sf gpu" or "-sf
|
||||
intel" or "-sf omp" "command-line switch"_Section_start.html#start_7
|
||||
intel" or "-sf omp" "command-line switch"_Section_start.html#start_6
|
||||
is used to auto-append accelerator suffixes to various styles in the
|
||||
input script, then those switches also invoke a "package gpu",
|
||||
"package intel", or "package omp" command with default settings.
|
||||
|
||||
NOTE: A package command for a particular style can be invoked multiple
|
||||
times when a simulation is setup, e.g. by the "-c on", "-k on", "-sf",
|
||||
and "-pk" "command-line switches"_Section_start.html#start_7, and by
|
||||
and "-pk" "command-line switches"_Section_start.html#start_6, and by
|
||||
using this command in an input script. Each time it is used all of
|
||||
the style options are set, either to default values or to specified
|
||||
settings. I.e. settings from previous invocations do not persist
|
||||
|
@ -305,7 +305,7 @@ value via their package commands, but there is only a single global
|
|||
invoked, you should insure the two values are consistent. If they are
|
||||
not, the last one invoked will take precedence, for both packages.
|
||||
Also note that if the "-sf hybrid intel omp" "command-line
|
||||
switch"_"_Section_start.html#start_7 is used, it invokes a "package
|
||||
switch"_"_Section_start.html#start_6 is used, it invokes a "package
|
||||
intel" command, followed by a "package omp" command, both with a
|
||||
setting of {Nthreads} = 0.
|
||||
|
||||
|
@ -550,7 +550,7 @@ LAMMPS"_Section_start.html#start_3 section for more info.
|
|||
[Related commands:]
|
||||
|
||||
"suffix"_suffix.html, "-pk" "command-line
|
||||
setting"_Section_start.html#start_7
|
||||
setting"_Section_start.html#start_6
|
||||
|
||||
[Default:]
|
||||
|
||||
|
@ -558,9 +558,9 @@ For the GPU package, the default is Ngpu = 1 and the option defaults
|
|||
are neigh = yes, newton = off, binsize = 0.0, split = 1.0, gpuID = 0
|
||||
to Ngpu-1, tpa = 1, and device = not used. These settings are made
|
||||
automatically if the "-sf gpu" "command-line
|
||||
switch"_Section_start.html#start_7 is used. If it is not used, you
|
||||
switch"_Section_start.html#start_6 is used. If it is not used, you
|
||||
must invoke the package gpu command in your input script or via the
|
||||
"-pk gpu" "command-line switch"_Section_start.html#start_7.
|
||||
"-pk gpu" "command-line switch"_Section_start.html#start_6.
|
||||
|
||||
For the USER-INTEL package, the default is Nphi = 1 and the option
|
||||
defaults are omp = 0, mode = mixed, lrt = no, balance = -1, tpc = 4,
|
||||
|
@ -569,21 +569,21 @@ style being used. This value is output to the screen in the offload
|
|||
report at the end of each run. Note that all of these settings,
|
||||
except "omp" and "mode", are ignored if LAMMPS was not built with
|
||||
Xeon Phi coprocessor support. These settings are made automatically
|
||||
if the "-sf intel" "command-line switch"_Section_start.html#start_7
|
||||
if the "-sf intel" "command-line switch"_Section_start.html#start_6
|
||||
is used. If it is not used, you must invoke the package intel
|
||||
command in your input script or or via the "-pk intel" "command-line
|
||||
switch"_Section_start.html#start_7.
|
||||
switch"_Section_start.html#start_6.
|
||||
|
||||
For the KOKKOS package, the option defaults neigh = full,
|
||||
neigh/qeq = full, newton = off, binsize = 0.0, and comm = device.
|
||||
These settings are made automatically by the required "-k on" "command-line
|
||||
switch"_Section_start.html#start_7. You can change them bu using the
|
||||
switch"_Section_start.html#start_6. You can change them bu using the
|
||||
package kokkos command in your input script or via the "-pk kokkos"
|
||||
"command-line switch"_Section_start.html#start_7.
|
||||
"command-line switch"_Section_start.html#start_6.
|
||||
|
||||
For the OMP package, the default is Nthreads = 0 and the option
|
||||
defaults are neigh = yes. These settings are made automatically if
|
||||
the "-sf omp" "command-line switch"_Section_start.html#start_7 is
|
||||
the "-sf omp" "command-line switch"_Section_start.html#start_6 is
|
||||
used. If it is not used, you must invoke the package omp command in
|
||||
your input script or via the "-pk omp" "command-line
|
||||
switch"_Section_start.html#start_7.
|
||||
switch"_Section_start.html#start_6.
|
||||
|
|
|
@ -137,7 +137,7 @@ LAMMPS"_Section_start.html#start_3 section for more info.
|
|||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
switch"_Section_start.html#start_7 when you invoke LAMMPS, or you can
|
||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||
use the "suffix"_suffix.html command in your input script.
|
||||
|
||||
See "Section 5"_Section_accelerate.html of the manual for
|
||||
|
|
|
@ -70,7 +70,7 @@ LAMMPS"_Section_start.html#start_3 section for more info.
|
|||
|
||||
You can specify the accelerated style explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
switch"_Section_start.html#start_7 when you invoke LAMMPS, or you can
|
||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||
use the "suffix"_suffix.html command in your input script.
|
||||
|
||||
See "Section 5"_Section_accelerate.html of the manual for
|
||||
|
|
|
@ -185,7 +185,7 @@ LAMMPS"_Section_start.html#start_3 section for more info.
|
|||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
switch"_Section_start.html#start_7 when you invoke LAMMPS, or you can
|
||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||
use the "suffix"_suffix.html command in your input script.
|
||||
|
||||
See "Section 5"_Section_accelerate.html of the manual for
|
||||
|
|
|
@ -63,7 +63,7 @@ LAMMPS"_Section_start.html#start_3 section for more info.
|
|||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
switch"_Section_start.html#start_7 when you invoke LAMMPS, or you can
|
||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||
use the "suffix"_suffix.html command in your input script.
|
||||
|
||||
See "Section 5"_Section_accelerate.html of the manual for
|
||||
|
|
|
@ -152,7 +152,7 @@ LAMMPS"_Section_start.html#start_3 section for more info.
|
|||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
switch"_Section_start.html#start_7 when you invoke LAMMPS, or you can
|
||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||
use the "suffix"_suffix.html command in your input script.
|
||||
|
||||
See "Section 5"_Section_accelerate.html of the manual for
|
||||
|
|
|
@ -85,7 +85,7 @@ LAMMPS"_Section_start.html#start_3 section for more info.
|
|||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
switch"_Section_start.html#start_7 when you invoke LAMMPS, or you can
|
||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||
use the "suffix"_suffix.html command in your input script.
|
||||
|
||||
See "this section"_Section_accelerate.html of the manual for more
|
||||
|
|
Some files were not shown because too many files have changed in this diff Show More
Loading…
Reference in New Issue