update manual links that got broken when removing and renumbering a section
This commit is contained in:
@ -261,7 +261,6 @@ END_RST -->
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:link(start_6,Section_start.html#start_6)
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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_7,Section_start.html#start_7)
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:link(start_8,Section_start.html#start_8)
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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_1,Section_commands.html#cmd_1)
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:link(cmd_2,Section_commands.html#cmd_2)
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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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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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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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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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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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make machine |
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prepare and test a regular LAMMPS simulation |
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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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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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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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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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: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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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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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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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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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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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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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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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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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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and compilation of optional packages is explained in the "installation
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instructions"_Section_start.html#start_3.
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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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command. At a later time, these binary files can be read via a
|
||||||
"read_restart"_read_restart.html command in a new script. Or they can
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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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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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"read_data"_read_data.html command in a new script.
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|
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Here we give examples of 2 scripts that read either a binary restart
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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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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
|
partition of processors. LAMMPS can be run on multiple partitions via
|
||||||
the "-partition" command-line switch as described in "this
|
the "-partition" command-line switch as described in "this
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||||||
section"_Section_start.html#start_7 of the manual.
|
section"_Section_start.html#start_6 of the manual.
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|
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In the last 2 examples, if LAMMPS were run on 3 partitions, the same
|
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
|
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
|
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
|
replica. The processors assigned to each replica are determined at
|
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run-time by using the "-partition command-line
|
run-time by using the "-partition command-line
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switch"_Section_start.html#start_7 to launch LAMMPS on multiple
|
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.
|
partitions, which in this context are the same as replicas. E.g.
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these commands:
|
these commands:
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|
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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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mpirun -np 8 lmp_linux -partition 8x1 -in in.neb :pre
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|
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would each run 8 replicas, on either 16 or 8 processors. Note the use
|
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
|
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.
|
the input script which is required when running in multi-replica mode.
|
||||||
|
|
||||||
Also note that with MPI installed on a machine (e.g. your desktop),
|
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
|
The lammps_open() function is used to initialize LAMMPS, passing in a
|
||||||
list of strings as if they were "command-line
|
list of strings as if they were "command-line
|
||||||
arguments"_Section_start.html#start_7 when LAMMPS is run in
|
arguments"_Section_start.html#start_6 when LAMMPS is run in
|
||||||
stand-alone mode from the command line, and a MPI communicator for
|
stand-alone mode from the command line, and a MPI communicator for
|
||||||
LAMMPS to run under. It returns a ptr to the LAMMPS object that is
|
LAMMPS to run under. It returns a ptr to the LAMMPS object that is
|
||||||
created, and which is used in subsequent library calls. The
|
created, and which is used in subsequent library calls. The
|
||||||
|
|||||||
@ -369,7 +369,7 @@ suffix in their style name. "Section 5.3.1"_accelerate_gpu.html gives
|
|||||||
details of what hardware and Cuda software is required on your system,
|
details of what hardware and Cuda software is required on your system,
|
||||||
and details on how to build and use this package. Its styles can be
|
and details on how to build and use this package. Its styles can be
|
||||||
invoked at run time via the "-sf gpu" or "-suffix gpu" "command-line
|
invoked at run time via the "-sf gpu" or "-suffix gpu" "command-line
|
||||||
switches"_Section_start.html#start_7. See also the "KOKKOS"_#KOKKOS
|
switches"_Section_start.html#start_6. See also the "KOKKOS"_#KOKKOS
|
||||||
package, which has GPU-enabled styles.
|
package, which has GPU-enabled styles.
|
||||||
|
|
||||||
[Authors:] Mike Brown (Intel) while at Sandia and ORNL and Trung Nguyen
|
[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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lib/gpu/README
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||||||
"Section 5.3"_Section_accelerate.html#acc_3
|
"Section 5.3"_Section_accelerate.html#acc_3
|
||||||
"Section 5.3.1"_accelerate_gpu.html
|
"Section 5.3.1"_accelerate_gpu.html
|
||||||
"Section 2.7 -sf gpu"_Section_start.html#start_7
|
"Section 2.6 -sf gpu"_Section_start.html#start_6
|
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"Section 2.7 -pk gpu"_Section_start.html#start_7
|
"Section 2.6 -pk gpu"_Section_start.html#start_6
|
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"package gpu"_package.html
|
"package gpu"_package.html
|
||||||
Pair Styles section of "Section 3.5"_Section_commands.html#cmd_5 for pair styles followed by (g)
|
Pair Styles section of "Section 3.5"_Section_commands.html#cmd_5 for pair styles followed by (g)
|
||||||
"Benchmarks page"_http://lammps.sandia.gov/bench.html of web site :ul
|
"Benchmarks page"_http://lammps.sandia.gov/bench.html of web site :ul
|
||||||
@ -529,7 +529,7 @@ style name. "Section 5.3.3"_accelerate_kokkos.html gives details of
|
|||||||
what hardware and software is required on your system, and how to
|
what hardware and software is required on your system, and how to
|
||||||
build and use this package. Its styles can be invoked at run time via
|
build and use this package. Its styles can be invoked at run time via
|
||||||
the "-sf kk" or "-suffix kk" "command-line
|
the "-sf kk" or "-suffix kk" "command-line
|
||||||
switches"_Section_start.html#start_7. Also see the "GPU"_#GPU,
|
switches"_Section_start.html#start_6. Also see the "GPU"_#GPU,
|
||||||
"OPT"_#OPT, "USER-INTEL"_#USER-INTEL, and "USER-OMP"_#USER-OMP
|
"OPT"_#OPT, "USER-INTEL"_#USER-INTEL, and "USER-OMP"_#USER-OMP
|
||||||
packages, which have styles optimized for CPUs, KNLs, and GPUs.
|
packages, which have styles optimized for CPUs, KNLs, and GPUs.
|
||||||
|
|
||||||
@ -597,9 +597,9 @@ src/KOKKOS/README
|
|||||||
lib/kokkos/README
|
lib/kokkos/README
|
||||||
"Section 5.3"_Section_accelerate.html#acc_3
|
"Section 5.3"_Section_accelerate.html#acc_3
|
||||||
"Section 5.3.3"_accelerate_kokkos.html
|
"Section 5.3.3"_accelerate_kokkos.html
|
||||||
"Section 2.7 -k on ..."_Section_start.html#start_7
|
"Section 2.6 -k on ..."_Section_start.html#start_6
|
||||||
"Section 2.7 -sf kk"_Section_start.html#start_7
|
"Section 2.6 -sf kk"_Section_start.html#start_6
|
||||||
"Section 2.7 -pk kokkos"_Section_start.html#start_7
|
"Section 2.6 -pk kokkos"_Section_start.html#start_6
|
||||||
"package kokkos"_package.html
|
"package kokkos"_package.html
|
||||||
Styles sections of "Section 3.5"_Section_commands.html#cmd_5 for styles followed by (k)
|
Styles sections of "Section 3.5"_Section_commands.html#cmd_5 for styles followed by (k)
|
||||||
"Benchmarks page"_http://lammps.sandia.gov/bench.html of web site :ul
|
"Benchmarks page"_http://lammps.sandia.gov/bench.html of web site :ul
|
||||||
@ -926,7 +926,7 @@ CHARMM, and Morse potentials. The styles have an "opt" suffix in
|
|||||||
their style name. "Section 5.3.5"_accelerate_opt.html gives details
|
their style name. "Section 5.3.5"_accelerate_opt.html gives details
|
||||||
of how to build and use this package. Its styles can be invoked at
|
of how to build and use this package. Its styles can be invoked at
|
||||||
run time via the "-sf opt" or "-suffix opt" "command-line
|
run time via the "-sf opt" or "-suffix opt" "command-line
|
||||||
switches"_Section_start.html#start_7. See also the "KOKKOS"_#KOKKOS,
|
switches"_Section_start.html#start_6. See also the "KOKKOS"_#KOKKOS,
|
||||||
"USER-INTEL"_#USER-INTEL, and "USER-OMP"_#USER-OMP packages, which
|
"USER-INTEL"_#USER-INTEL, and "USER-OMP"_#USER-OMP packages, which
|
||||||
have styles optimized for CPU performance.
|
have styles optimized for CPU performance.
|
||||||
|
|
||||||
@ -953,7 +953,7 @@ CCFLAGS: add -restrict :ul
|
|||||||
src/OPT: filenames -> commands
|
src/OPT: filenames -> commands
|
||||||
"Section 5.3"_Section_accelerate.html#acc_3
|
"Section 5.3"_Section_accelerate.html#acc_3
|
||||||
"Section 5.3.5"_accelerate_opt.html
|
"Section 5.3.5"_accelerate_opt.html
|
||||||
"Section 2.7 -sf opt"_Section_start.html#start_7
|
"Section 2.6 -sf opt"_Section_start.html#start_6
|
||||||
Pair Styles section of "Section 3.5"_Section_commands.html#cmd_5 for pair styles followed by (t)
|
Pair Styles section of "Section 3.5"_Section_commands.html#cmd_5 for pair styles followed by (t)
|
||||||
"Benchmarks page"_http://lammps.sandia.gov/bench.html of web site :ul
|
"Benchmarks page"_http://lammps.sandia.gov/bench.html of web site :ul
|
||||||
|
|
||||||
@ -1863,7 +1863,7 @@ All of them have an "intel" in their style name. "Section
|
|||||||
5.3.2"_accelerate_intel.html gives details of what hardware and
|
5.3.2"_accelerate_intel.html gives details of what hardware and
|
||||||
compilers are required on your system, and how to build and use this
|
compilers are required on your system, and how to build and use this
|
||||||
package. Its styles can be invoked at run time via the "-sf intel" or
|
package. Its styles can be invoked at run time via the "-sf intel" or
|
||||||
"-suffix intel" "command-line switches"_Section_start.html#start_7.
|
"-suffix intel" "command-line switches"_Section_start.html#start_6.
|
||||||
Also see the "KOKKOS"_#KOKKOS, "OPT"_#OPT, and "USER-OMP"_#USER-OMP
|
Also see the "KOKKOS"_#KOKKOS, "OPT"_#OPT, and "USER-OMP"_#USER-OMP
|
||||||
packages, which have styles optimized for CPUs and KNLs.
|
packages, which have styles optimized for CPUs and KNLs.
|
||||||
|
|
||||||
@ -1919,8 +1919,8 @@ src/USER-INTEL: filenames -> commands
|
|||||||
src/USER-INTEL/README
|
src/USER-INTEL/README
|
||||||
"Section 5.3"_Section_accelerate.html#acc_3
|
"Section 5.3"_Section_accelerate.html#acc_3
|
||||||
"Section 5.3.2"_accelerate_gpu.html
|
"Section 5.3.2"_accelerate_gpu.html
|
||||||
"Section 2.7 -sf intel"_Section_start.html#start_7
|
"Section 2.6 -sf intel"_Section_start.html#start_6
|
||||||
"Section 2.7 -pk intel"_Section_start.html#start_7
|
"Section 2.6 -pk intel"_Section_start.html#start_6
|
||||||
"package intel"_package.html
|
"package intel"_package.html
|
||||||
Styles sections of "Section 3.5"_Section_commands.html#cmd_5 for styles followed by (i)
|
Styles sections of "Section 3.5"_Section_commands.html#cmd_5 for styles followed by (i)
|
||||||
src/USER-INTEL/TEST
|
src/USER-INTEL/TEST
|
||||||
@ -2193,7 +2193,7 @@ via OpenMP directives. All of them have an "omp" in their style name.
|
|||||||
"Section 5.3.4"_accelerate_omp.html gives details of what hardware and
|
"Section 5.3.4"_accelerate_omp.html gives details of what hardware and
|
||||||
compilers are required on your system, and how to build and use this
|
compilers are required on your system, and how to build and use this
|
||||||
package. Its styles can be invoked at run time via the "-sf omp" or
|
package. Its styles can be invoked at run time via the "-sf omp" or
|
||||||
"-suffix omp" "command-line switches"_Section_start.html#start_7.
|
"-suffix omp" "command-line switches"_Section_start.html#start_6.
|
||||||
Also see the "KOKKOS"_#KOKKOS, "OPT"_#OPT, and
|
Also see the "KOKKOS"_#KOKKOS, "OPT"_#OPT, and
|
||||||
"USER-INTEL"_#USER-INTEL packages, which have styles optimized for
|
"USER-INTEL"_#USER-INTEL packages, which have styles optimized for
|
||||||
CPUs.
|
CPUs.
|
||||||
@ -2226,8 +2226,8 @@ src/USER-OMP: filenames -> commands
|
|||||||
src/USER-OMP/README
|
src/USER-OMP/README
|
||||||
"Section 5.3"_Section_accelerate.html#acc_3
|
"Section 5.3"_Section_accelerate.html#acc_3
|
||||||
"Section 5.3.4"_accelerate_omp.html
|
"Section 5.3.4"_accelerate_omp.html
|
||||||
"Section 2.7 -sf omp"_Section_start.html#start_7
|
"Section 2.6 -sf omp"_Section_start.html#start_6
|
||||||
"Section 2.7 -pk omp"_Section_start.html#start_7
|
"Section 2.6 -pk omp"_Section_start.html#start_6
|
||||||
"package omp"_package.html
|
"package omp"_package.html
|
||||||
Styles sections of "Section 3.5"_Section_commands.html#cmd_5 for styles followed by (o)
|
Styles sections of "Section 3.5"_Section_commands.html#cmd_5 for styles followed by (o)
|
||||||
"Benchmarks page"_http://lammps.sandia.gov/bench.html of web site :ul
|
"Benchmarks page"_http://lammps.sandia.gov/bench.html of web site :ul
|
||||||
|
|||||||
@ -198,7 +198,7 @@ file and the shared library.
|
|||||||
11.3 Building LAMMPS as a shared library :link(py_3),h4
|
11.3 Building LAMMPS as a shared library :link(py_3),h4
|
||||||
|
|
||||||
Instructions on how to build LAMMPS as a shared library are given in
|
Instructions on how to build LAMMPS as a shared library are given in
|
||||||
"Section 2.5"_Section_start.html#start_5. A shared library is one
|
"Section 2.4"_Section_start.html#start_4. A shared library is one
|
||||||
that is dynamically loadable, which is what Python requires to wrap
|
that is dynamically loadable, which is what Python requires to wrap
|
||||||
LAMMPS. On Linux this is a library file that ends in ".so", not ".a".
|
LAMMPS. On Linux this is a library file that ends in ".so", not ".a".
|
||||||
|
|
||||||
@ -217,7 +217,7 @@ NOTE: If you are building LAMMPS with an MPI or FFT library or other
|
|||||||
auxiliary libraries (used by various packages), then all of these
|
auxiliary libraries (used by various packages), then all of these
|
||||||
extra libraries must also be shared libraries. If the LAMMPS
|
extra libraries must also be shared libraries. If the LAMMPS
|
||||||
shared-library build fails with an error complaining about this, see
|
shared-library build fails with an error complaining about this, see
|
||||||
"Section 2.5"_Section_start.html#start_5 for more details.
|
"Section 2.4"_Section_start.html#start_4 for more details.
|
||||||
|
|
||||||
:line
|
:line
|
||||||
|
|
||||||
@ -439,7 +439,7 @@ first importing from the lammps.py file:
|
|||||||
>>> CDLL("liblammps.so") :pre
|
>>> CDLL("liblammps.so") :pre
|
||||||
|
|
||||||
If an error occurs, carefully go thru the steps in "Section
|
If an error occurs, carefully go thru the steps in "Section
|
||||||
2.5"_Section_start.html#start_5 and above about building a shared
|
2.4"_Section_start.html#start_4 and above about building a shared
|
||||||
library and about insuring Python can find the necessary two files
|
library and about insuring Python can find the necessary two files
|
||||||
it needs.
|
it needs.
|
||||||
|
|
||||||
|
|||||||
@ -14,11 +14,11 @@ experienced users.
|
|||||||
2.1 "What's in the LAMMPS distribution"_#start_1
|
2.1 "What's in the LAMMPS distribution"_#start_1
|
||||||
2.2 "Making LAMMPS"_#start_2
|
2.2 "Making LAMMPS"_#start_2
|
||||||
2.3 "Making LAMMPS with optional packages"_#start_3
|
2.3 "Making LAMMPS with optional packages"_#start_3
|
||||||
2.5 "Building LAMMPS as a library"_#start_4
|
2.4 "Building LAMMPS as a library"_#start_4
|
||||||
2.6 "Running LAMMPS"_#start_5
|
2.5 "Running LAMMPS"_#start_5
|
||||||
2.7 "Command-line options"_#start_6
|
2.6 "Command-line options"_#start_6
|
||||||
2.8 "Screen output"_#start_7
|
2.7 "Screen output"_#start_7
|
||||||
2.9 "Tips for users of previous versions"_#start_8 :all(b)
|
2.8 "Tips for users of previous versions"_#start_8 :all(b)
|
||||||
|
|
||||||
:line
|
:line
|
||||||
|
|
||||||
@ -714,7 +714,7 @@ type
|
|||||||
lmp_machine -h :pre
|
lmp_machine -h :pre
|
||||||
|
|
||||||
to run your executable with the optional "-h command-line
|
to run your executable with the optional "-h command-line
|
||||||
switch"_#start_7 for "help", which will list the styles and commands
|
switch"_#start_6 for "help", which will list the styles and commands
|
||||||
known to your executable, and immediately exit.
|
known to your executable, and immediately exit.
|
||||||
|
|
||||||
:line
|
:line
|
||||||
|
|||||||
@ -54,7 +54,7 @@ specify the # of GPUs per node
|
|||||||
use GPU styles in your input script :ul
|
use GPU styles in your input script :ul
|
||||||
|
|
||||||
The latter two steps can be done using the "-pk gpu" and "-sf gpu"
|
The latter two steps can be done using the "-pk gpu" and "-sf gpu"
|
||||||
"command-line switches"_Section_start.html#start_7 respectively. Or
|
"command-line switches"_Section_start.html#start_6 respectively. Or
|
||||||
the effect of the "-pk" or "-sf" switches can be duplicated by adding
|
the effect of the "-pk" or "-sf" switches can be duplicated by adding
|
||||||
the "package gpu"_package.html or "suffix gpu"_suffix.html commands
|
the "package gpu"_package.html or "suffix gpu"_suffix.html commands
|
||||||
respectively to your input script.
|
respectively to your input script.
|
||||||
@ -75,7 +75,7 @@ This requires two steps (a,b): build the GPU library, then build
|
|||||||
LAMMPS with the GPU package.
|
LAMMPS with the GPU package.
|
||||||
|
|
||||||
You can do both these steps in one line, using the src/Make.py script,
|
You can do both these steps in one line, 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, this
|
Type "Make.py -h" for help. If run from the src directory, this
|
||||||
command will create src/lmp_gpu using src/MAKE/Makefile.mpi as the
|
command will create src/lmp_gpu using src/MAKE/Makefile.mpi as the
|
||||||
starting Makefile.machine:
|
starting Makefile.machine:
|
||||||
@ -151,9 +151,9 @@ automatically if you create more MPI tasks/node than there are
|
|||||||
GPUs/mode. E.g. with 8 MPI tasks/node and 2 GPUs, each GPU will be
|
GPUs/mode. E.g. with 8 MPI tasks/node and 2 GPUs, each GPU will be
|
||||||
shared by 4 MPI tasks.
|
shared by 4 MPI tasks.
|
||||||
|
|
||||||
Use the "-sf gpu" "command-line switch"_Section_start.html#start_7,
|
Use the "-sf gpu" "command-line switch"_Section_start.html#start_6,
|
||||||
which will automatically append "gpu" to styles that support it. Use
|
which will automatically append "gpu" to styles that support it. Use
|
||||||
the "-pk gpu Ng" "command-line switch"_Section_start.html#start_7 to
|
the "-pk gpu Ng" "command-line switch"_Section_start.html#start_6 to
|
||||||
set Ng = # of GPUs/node to use.
|
set Ng = # of GPUs/node to use.
|
||||||
|
|
||||||
lmp_machine -sf gpu -pk gpu 1 -in in.script # 1 MPI task uses 1 GPU
|
lmp_machine -sf gpu -pk gpu 1 -in in.script # 1 MPI task uses 1 GPU
|
||||||
@ -188,7 +188,7 @@ pair_style lj/cut/gpu 2.5 :pre
|
|||||||
|
|
||||||
You must also use the "package gpu"_package.html command to enable the
|
You must also use the "package gpu"_package.html command to enable the
|
||||||
GPU package, unless the "-sf gpu" or "-pk gpu" "command-line
|
GPU package, unless the "-sf gpu" or "-pk gpu" "command-line
|
||||||
switches"_Section_start.html#start_7 were used. It specifies the
|
switches"_Section_start.html#start_6 were used. It specifies the
|
||||||
number of GPUs/node to use, as well as other options.
|
number of GPUs/node to use, as well as other options.
|
||||||
|
|
||||||
[Speed-ups to expect:]
|
[Speed-ups to expect:]
|
||||||
|
|||||||
@ -226,7 +226,7 @@ source /opt/intel/parallel_studio_xe_2016.3.067/psxevars.sh
|
|||||||
make intel_cpu_intelmpi :pre
|
make intel_cpu_intelmpi :pre
|
||||||
|
|
||||||
Alternatively, the build can be accomplished with the src/Make.py
|
Alternatively, the build can be accomplished with the src/Make.py
|
||||||
script, described in "Section 2.4"_Section_start.html#start_4 of the
|
script, described in "Section 4"_Section_packages.html of the
|
||||||
manual. Type "Make.py -h" for help. For an example:
|
manual. Type "Make.py -h" for help. For an example:
|
||||||
|
|
||||||
Make.py -v -p intel omp -intel cpu -a file intel_cpu_intelmpi :pre
|
Make.py -v -p intel omp -intel cpu -a file intel_cpu_intelmpi :pre
|
||||||
@ -301,7 +301,7 @@ Hyper-Threading technology disabled.
|
|||||||
|
|
||||||
To enable USER-INTEL optimizations for all available styles used in
|
To enable USER-INTEL optimizations for all available styles used in
|
||||||
the input script, the "-sf intel"
|
the input script, the "-sf intel"
|
||||||
"command-line switch"_Section_start.html#start_7 can be used without
|
"command-line switch"_Section_start.html#start_6 can be used without
|
||||||
any requirement for editing the input script. This switch will
|
any requirement for editing the input script. This switch will
|
||||||
automatically append "intel" to styles that support it. It also
|
automatically append "intel" to styles that support it. It also
|
||||||
invokes a default command: "package intel 1"_package.html. This
|
invokes a default command: "package intel 1"_package.html. This
|
||||||
@ -314,7 +314,7 @@ support, that 1 coprocessor per node will be used with automatic
|
|||||||
balancing of work between the CPU and the coprocessor.
|
balancing of work between the CPU and the coprocessor.
|
||||||
|
|
||||||
You can specify different options for the USER-INTEL package by using
|
You can specify different options for the USER-INTEL package by using
|
||||||
the "-pk intel Nphi" "command-line switch"_Section_start.html#start_7
|
the "-pk intel Nphi" "command-line switch"_Section_start.html#start_6
|
||||||
with keyword/value pairs as specified in the documentation. Here,
|
with keyword/value pairs as specified in the documentation. Here,
|
||||||
Nphi = # of Xeon Phi coprocessors/node (ignored without offload
|
Nphi = # of Xeon Phi coprocessors/node (ignored without offload
|
||||||
support). Common options to the USER-INTEL package include {omp} to
|
support). Common options to the USER-INTEL package include {omp} to
|
||||||
@ -387,7 +387,7 @@ can performed automatically by using "-sf hybrid intel opt" or
|
|||||||
and "omp" suffixes can be appended manually in the input script. For
|
and "omp" suffixes can be appended manually in the input script. For
|
||||||
the latter, the "package omp"_package.html command must be in the
|
the latter, the "package omp"_package.html command must be in the
|
||||||
input script or the "-pk omp Nt" "command-line
|
input script or the "-pk omp Nt" "command-line
|
||||||
switch"_Section_start.html#start_7 must be used where Nt is the
|
switch"_Section_start.html#start_6 must be used where Nt is the
|
||||||
number of OpenMP threads. The number of OpenMP threads should not be
|
number of OpenMP threads. The number of OpenMP threads should not be
|
||||||
set differently for the different packages. Note that the "suffix
|
set differently for the different packages. Note that the "suffix
|
||||||
hybrid intel omp"_suffix.html command can also be used within the
|
hybrid intel omp"_suffix.html command can also be used within the
|
||||||
@ -486,7 +486,7 @@ sorting"_atom_modify.html is changed to 1 so that the per-atom data is
|
|||||||
effectively sorted at every rebuild of the neighbor lists. All the
|
effectively sorted at every rebuild of the neighbor lists. All the
|
||||||
available coprocessor threads on each Phi will be divided among MPI
|
available coprocessor threads on each Phi will be divided among MPI
|
||||||
tasks, unless the {tptask} option of the "-pk intel" "command-line
|
tasks, unless the {tptask} option of the "-pk intel" "command-line
|
||||||
switch"_Section_start.html#start_7 is used to limit the coprocessor
|
switch"_Section_start.html#start_6 is used to limit the coprocessor
|
||||||
threads per MPI task.
|
threads per MPI task.
|
||||||
|
|
||||||
[Restrictions:]
|
[Restrictions:]
|
||||||
|
|||||||
@ -136,7 +136,7 @@ You must choose at build time whether to build for CPUs (OpenMP),
|
|||||||
GPUs, or Phi.
|
GPUs, or Phi.
|
||||||
|
|
||||||
You can do any of these in one line, using the src/Make.py script,
|
You can do any of these in one line, using the 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
|
Type "Make.py -h" for help. If run from the src directory, these
|
||||||
commands will create src/lmp_kokkos_omp, lmp_kokkos_cuda, and
|
commands will create src/lmp_kokkos_omp, lmp_kokkos_cuda, and
|
||||||
lmp_kokkos_phi. Note that the OMP and PHI options use
|
lmp_kokkos_phi. Note that the OMP and PHI options use
|
||||||
@ -144,7 +144,7 @@ src/MAKE/Makefile.mpi as the starting Makefile.machine. The CUDA
|
|||||||
option uses src/MAKE/OPTIONS/Makefile.kokkos_cuda.
|
option uses src/MAKE/OPTIONS/Makefile.kokkos_cuda.
|
||||||
|
|
||||||
The latter two steps can be done using the "-k on", "-pk kokkos" and
|
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
|
respectively. Or the effect of the "-pk" or "-sf" switches can be
|
||||||
duplicated by adding the "package kokkos"_package.html or "suffix
|
duplicated by adding the "package kokkos"_package.html or "suffix
|
||||||
kk"_suffix.html commands respectively to your input script.
|
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.
|
coprocessors is simply treated as running some number of MPI tasks.
|
||||||
|
|
||||||
You must use the "-k on" "command-line
|
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
|
takes additional arguments for hardware settings appropriate to your
|
||||||
system. Those arguments are "documented
|
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:
|
options are:
|
||||||
|
|
||||||
-k on t Nt g Ng :pre
|
-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
|
additional arguments) which sets various KOKKOS options to default
|
||||||
values, as discussed on the "package"_package.html command doc page.
|
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
|
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
|
you wish to change any of the default "package kokkos"_package.html
|
||||||
optionns set by the "-k on" "command-line
|
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
|
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
|
Newton flag to "on", just as is the case for non-accelerated pair
|
||||||
styles. You can do this with the "-pk" "command-line
|
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:]
|
[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.
|
device=CUDA are the same.
|
||||||
|
|
||||||
You must still use the "-k on" "command-line
|
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
|
specify its additional arguments for hardware options appropriate to
|
||||||
your system, as documented above.
|
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
|
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"
|
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:]
|
[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
|
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
|
typically equal N. Note that the default threads/task is 1, as set by
|
||||||
the "t" keyword of the "-k" "command-line
|
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
|
additional parallelism (beyond MPI) will be invoked on the host
|
||||||
CPU(s).
|
CPU(s).
|
||||||
|
|
||||||
@ -429,7 +429,7 @@ details).
|
|||||||
The -np setting of the mpirun command should set the number of MPI
|
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.
|
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
|
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
|
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
|
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
|
The lines above illustrate how to include/build with the USER-OMP
|
||||||
package in two steps, using the "make" command. Or how to do it with
|
package in two steps, using the "make" command. Or how to do it with
|
||||||
one command via the src/Make.py script, described in "Section
|
one command 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.
|
help.
|
||||||
|
|
||||||
Note that the CCFLAGS and LINKFLAGS settings in Makefile.machine must
|
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.
|
node), otherwise performance will suffer.
|
||||||
|
|
||||||
As in the lines above, use the "-sf omp" "command-line
|
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
|
"omp" to styles that support it. The "-sf omp" switch also issues a
|
||||||
default "package omp 0"_package.html command, which will set the
|
default "package omp 0"_package.html command, which will set the
|
||||||
number of threads per MPI task via the OMP_NUM_THREADS environment
|
number of threads per MPI task via the OMP_NUM_THREADS environment
|
||||||
variable.
|
variable.
|
||||||
|
|
||||||
You can also use the "-pk omp Nt" "command-line
|
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
|
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
|
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
|
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
|
The lines above illustrate how to build LAMMPS with the OPT package in
|
||||||
two steps, using the "make" command. Or how to do it with one command
|
two steps, using the "make" command. Or how to do it with one command
|
||||||
via the src/Make.py script, described in "Section
|
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.
|
help.
|
||||||
|
|
||||||
Note that if you use an Intel compiler to build with the OPT package,
|
Note that if you use an Intel compiler to build with the OPT package,
|
||||||
@ -46,7 +46,7 @@ The Make.py command will add this automatically.
|
|||||||
[Run with the OPT package from the command line:]
|
[Run with the OPT package from the command line:]
|
||||||
|
|
||||||
As in the lines above, use the "-sf opt" "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.
|
"opt" to styles that support it.
|
||||||
|
|
||||||
[Or run with the OPT package by editing an input script:]
|
[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
|
You can specify the accelerated styles explicitly in your input script
|
||||||
by including their suffix, or you can use the "-suffix command-line
|
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.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "Section 5"_Section_accelerate.html of the manual for
|
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
|
You can specify the accelerated styles explicitly in your input script
|
||||||
by including their suffix, or you can use the "-suffix command-line
|
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.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "Section 5"_Section_accelerate.html of the manual for
|
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
|
You can specify the accelerated styles explicitly in your input script
|
||||||
by including their suffix, or you can use the "-suffix command-line
|
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.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "Section 5"_Section_accelerate.html of the manual for
|
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
|
You can specify the accelerated styles explicitly in your input script
|
||||||
by including their suffix, or you can use the "-suffix command-line
|
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.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "Section 5"_Section_accelerate.html of the manual for
|
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
|
You can specify the accelerated styles explicitly in your input script
|
||||||
by including their suffix, or you can use the "-suffix command-line
|
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.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "Section 5"_Section_accelerate.html of the manual for
|
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
|
You can specify the accelerated styles explicitly in your input script
|
||||||
by including their suffix, or you can use the "-suffix command-line
|
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.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "Section 5"_Section_accelerate.html of the manual for
|
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
|
You can specify the accelerated styles explicitly in your input script
|
||||||
by including their suffix, or you can use the "-suffix command-line
|
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.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "Section 5"_Section_accelerate.html of the manual for
|
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
|
You can specify the accelerated styles explicitly in your input script
|
||||||
by including their suffix, or you can use the "-suffix command-line
|
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.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "Section 5"_Section_accelerate.html of the manual for
|
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
|
You can specify the accelerated styles explicitly in your input script
|
||||||
by including their suffix, or you can use the "-suffix command-line
|
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.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "Section 5"_Section_accelerate.html of the manual for
|
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
|
You can specify the accelerated styles explicitly in your input script
|
||||||
by including their suffix, or you can use the "-suffix command-line
|
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.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "Section 5"_Section_accelerate.html of the manual for
|
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
|
You can specify the accelerated styles explicitly in your input script
|
||||||
by including their suffix, or you can use the "-suffix command-line
|
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.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "Section 5"_Section_accelerate.html of the manual for
|
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
|
You can specify the accelerated styles explicitly in your input script
|
||||||
by including their suffix, or you can use the "-suffix command-line
|
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.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "Section 5"_Section_accelerate.html of the manual for
|
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
|
You can specify the accelerated styles explicitly in your input script
|
||||||
by including their suffix, or you can use the "-suffix command-line
|
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.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "Section 5"_Section_accelerate.html of the manual for
|
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 based on the total computational time spent by that
|
||||||
processor. See details below on what time window is used. It uses
|
processor. See details below on what time window is used. It uses
|
||||||
the same timing information as is used for the "MPI task timing
|
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
|
{Bond}, {Kspace}, and {Neigh}. The time spent in those portions of
|
||||||
the timestep are measured for each MPI rank, summed, then divided by
|
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
|
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
|
You can specify the accelerated styles explicitly in your input script
|
||||||
by including their suffix, or you can use the "-suffix command-line
|
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.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "Section 5"_Section_accelerate.html of the manual for
|
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
|
You can specify the accelerated styles explicitly in your input script
|
||||||
by including their suffix, or you can use the "-suffix command-line
|
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.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "Section 5"_Section_accelerate.html of the manual for
|
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
|
You can specify the accelerated styles explicitly in your input script
|
||||||
by including their suffix, or you can use the "-suffix command-line
|
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.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "Section 5"_Section_accelerate.html of the manual for
|
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
|
You can specify the accelerated styles explicitly in your input script
|
||||||
by including their suffix, or you can use the "-suffix command-line
|
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.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "Section 5"_Section_accelerate.html of the manual for
|
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
|
You can specify the accelerated styles explicitly in your input script
|
||||||
by including their suffix, or you can use the "-suffix command-line
|
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.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "Section 5"_Section_accelerate.html of the manual for
|
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
|
You can specify the accelerated styles explicitly in your input script
|
||||||
by including their suffix, or you can use the "-suffix command-line
|
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.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "Section 5"_Section_accelerate.html of the manual for
|
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
|
You can specify the accelerated styles explicitly in your input script
|
||||||
by including their suffix, or you can use the "-suffix command-line
|
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.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "Section 5"_Section_accelerate.html of the manual for
|
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
|
You can specify the accelerated styles explicitly in your input script
|
||||||
by including their suffix, or you can use the "-suffix command-line
|
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.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "Section 5"_Section_accelerate.html of the manual for
|
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
|
You can specify the accelerated styles explicitly in your input script
|
||||||
by including their suffix, or you can use the "-suffix command-line
|
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.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "Section 5"_Section_accelerate.html of the manual for
|
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
|
You can specify the accelerated styles explicitly in your input script
|
||||||
by including their suffix, or you can use the "-suffix command-line
|
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.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "Section 5"_Section_accelerate.html of the manual for
|
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
|
You can specify the accelerated styles explicitly in your input script
|
||||||
by including their suffix, or you can use the "-suffix command-line
|
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.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "Section 5"_Section_accelerate.html of the manual for
|
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
|
You can specify the accelerated styles explicitly in your input script
|
||||||
by including their suffix, or you can use the "-suffix command-line
|
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.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "Section 5"_Section_accelerate.html of the manual for
|
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
|
You can specify the accelerated styles explicitly in your input script
|
||||||
by including their suffix, or you can use the "-suffix command-line
|
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.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "Section 5"_Section_accelerate.html of the manual for
|
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
|
You can specify the accelerated styles explicitly in your input script
|
||||||
by including their suffix, or you can use the "-suffix command-line
|
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.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "Section 5"_Section_accelerate.html of the manual for
|
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
|
You can specify the accelerated styles explicitly in your input script
|
||||||
by including their suffix, or you can use the "-suffix command-line
|
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.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "Section 5"_Section_accelerate.html of the manual for
|
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
|
You can specify the accelerated styles explicitly in your input script
|
||||||
by including their suffix, or you can use the "-suffix command-line
|
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.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "Section 5"_Section_accelerate.html of the manual for
|
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
|
You can specify the accelerated styles explicitly in your input script
|
||||||
by including their suffix, or you can use the "-suffix command-line
|
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.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "Section 5"_Section_accelerate.html of the manual for
|
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
|
You can specify the accelerated styles explicitly in your input script
|
||||||
by including their suffix, or you can use the "-suffix command-line
|
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.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "Section 5"_Section_accelerate.html of the manual for
|
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
|
You can specify the accelerated styles explicitly in your input script
|
||||||
by including their suffix, or you can use the "-suffix command-line
|
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.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "Section 5"_Section_accelerate.html of the manual for
|
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
|
You can specify the accelerated styles explicitly in your input script
|
||||||
by including their suffix, or you can use the "-suffix command-line
|
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.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "Section 5"_Section_accelerate.html of the manual for
|
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
|
You can specify the accelerated styles explicitly in your input script
|
||||||
by including their suffix, or you can use the "-suffix command-line
|
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.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "Section 5"_Section_accelerate.html of the manual for
|
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
|
You can specify the accelerated styles explicitly in your input script
|
||||||
by including their suffix, or you can use the "-suffix command-line
|
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.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "Section 5"_Section_accelerate.html of the manual for
|
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
|
You can specify the accelerated styles explicitly in your input script
|
||||||
by including their suffix, or you can use the "-suffix command-line
|
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.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "Section 5"_Section_accelerate.html of the manual for
|
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
|
an input script has errors, it can be useful to look at echoed output
|
||||||
to see the last command processed.
|
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.
|
in place of this command.
|
||||||
|
|
||||||
[Restrictions:] none
|
[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
|
You can specify the accelerated styles explicitly in your input script
|
||||||
by including their suffix, or you can use the "-suffix command-line
|
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.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "Section 5"_Section_accelerate.html of the manual for
|
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
|
You can specify the accelerated styles explicitly in your input script
|
||||||
by including their suffix, or you can use the "-suffix command-line
|
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.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "Section 5"_Section_accelerate.html of the manual for
|
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
|
You can specify the accelerated styles explicitly in your input script
|
||||||
by including their suffix, or you can use the "-suffix command-line
|
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.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "Section 5"_Section_accelerate.html of the manual for
|
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
|
You can specify the accelerated styles explicitly in your input script
|
||||||
by including their suffix, or you can use the "-suffix command-line
|
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.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "Section 5"_Section_accelerate.html of the manual for
|
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
|
You can specify the accelerated styles explicitly in your input script
|
||||||
by including their suffix, or you can use the "-suffix command-line
|
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.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "Section 5"_Section_accelerate.html of the manual for
|
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
|
You can specify the accelerated styles explicitly in your input script
|
||||||
by including their suffix, or you can use the "-suffix command-line
|
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.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "Section 5"_Section_accelerate.html of the manual for
|
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
|
You can specify the accelerated styles explicitly in your input script
|
||||||
by including their suffix, or you can use the "-suffix command-line
|
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.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "Section 5"_Section_accelerate.html of the manual for
|
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
|
You can specify the accelerated styles explicitly in your input script
|
||||||
by including their suffix, or you can use the "-suffix command-line
|
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.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "Section 5"_Section_accelerate.html of the manual for
|
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
|
You can specify the accelerated styles explicitly in your input script
|
||||||
by including their suffix, or you can use the "-suffix command-line
|
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.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "Section 5"_Section_accelerate.html of the manual for
|
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
|
You can specify the accelerated styles explicitly in your input script
|
||||||
by including their suffix, or you can use the "-suffix command-line
|
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.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "Section 5"_Section_accelerate.html of the manual for
|
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
|
You can specify the accelerated styles explicitly in your input script
|
||||||
by including their suffix, or you can use the "-suffix command-line
|
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.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "Section 5"_Section_accelerate.html of the manual for
|
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
|
You can specify the accelerated styles explicitly in your input script
|
||||||
by including their suffix, or you can use the "-suffix command-line
|
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.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "Section 5"_Section_accelerate.html of the manual for
|
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
|
You can specify the accelerated styles explicitly in your input script
|
||||||
by including their suffix, or you can use the "-suffix command-line
|
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.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "Section 5"_Section_accelerate.html of the manual for
|
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
|
You can specify the accelerated styles explicitly in your input script
|
||||||
by including their suffix, or you can use the "-suffix command-line
|
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.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "Section 5"_Section_accelerate.html of the manual for
|
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
|
You can specify the accelerated styles explicitly in your input script
|
||||||
by including their suffix, or you can use the "-suffix command-line
|
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.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "Section 5"_Section_accelerate.html of the manual for
|
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
|
You can specify the accelerated styles explicitly in your input script
|
||||||
by including their suffix, or you can use the "-suffix command-line
|
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.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "Section 5"_Section_accelerate.html of the manual for
|
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
|
You can specify the accelerated styles explicitly in your input script
|
||||||
by including their suffix, or you can use the "-suffix command-line
|
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.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "Section 5"_Section_accelerate.html of the manual for
|
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
|
You can specify the accelerated styles explicitly in your input script
|
||||||
by including their suffix, or you can use the "-suffix command-line
|
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.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "Section 5"_Section_accelerate.html of the manual for
|
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
|
You can specify the accelerated styles explicitly in your input script
|
||||||
by including their suffix, or you can use the "-suffix command-line
|
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.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "Section 5"_Section_accelerate.html of the manual for
|
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
|
You can specify the accelerated styles explicitly in your input script
|
||||||
by including their suffix, or you can use the "-suffix command-line
|
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.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "Section 5"_Section_accelerate.html of the manual for
|
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
|
You can specify the accelerated styles explicitly in your input script
|
||||||
by including their suffix, or you can use the "-suffix command-line
|
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.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "Section 5"_Section_accelerate.html of the manual for
|
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
|
You can specify the accelerated styles explicitly in your input script
|
||||||
by including their suffix, or you can use the "-suffix command-line
|
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.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "Section 5"_Section_accelerate.html of the manual for
|
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
|
You can specify the accelerated styles explicitly in your input script
|
||||||
by including their suffix, or you can use the "-suffix command-line
|
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.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "Section 5"_Section_accelerate.html of the manual for
|
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
|
You can specify the accelerated styles explicitly in your input script
|
||||||
by including their suffix, or you can use the "-suffix command-line
|
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.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "Section 5"_Section_accelerate.html of the manual for
|
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
|
You can specify the accelerated styles explicitly in your input script
|
||||||
by including their suffix, or you can use the "-suffix command-line
|
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.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "Section 5"_Section_accelerate.html of the manual for
|
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
|
You can specify the accelerated styles explicitly in your input script
|
||||||
by including their suffix, or you can use the "-suffix command-line
|
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.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "Section_accelerate"_Section_accelerate.html of the manual for
|
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
|
You can specify the accelerated styles explicitly in your input script
|
||||||
by including their suffix, or you can use the "-suffix command-line
|
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.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "Section_accelerate"_Section_accelerate.html of the manual for
|
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
|
You can specify the accelerated styles explicitly in your input script
|
||||||
by including their suffix, or you can use the "-suffix command-line
|
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.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "Section 5"_Section_accelerate.html of the manual for
|
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
|
You can specify the accelerated styles explicitly in your input script
|
||||||
by including their suffix, or you can use the "-suffix command-line
|
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.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "Section 5"_Section_accelerate.html of the manual for
|
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
|
You can specify the accelerated styles explicitly in your input script
|
||||||
by including their suffix, or you can use the "-suffix command-line
|
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.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "Section 5"_Section_accelerate.html of the manual for
|
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
|
You can specify the accelerated styles explicitly in your input script
|
||||||
by including their suffix, or you can use the "-suffix command-line
|
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.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "Section 5"_Section_accelerate.html of the manual for
|
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
|
You can specify the accelerated styles explicitly in your input script
|
||||||
by including their suffix, or you can use the "-suffix command-line
|
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.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "Section 5"_Section_accelerate.html of the manual for
|
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
|
You can specify the accelerated styles explicitly in your input script
|
||||||
by including their suffix, or you can use the "-suffix command-line
|
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.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "Section 5"_Section_accelerate.html of the manual for
|
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
|
You can specify the accelerated styles explicitly in your input script
|
||||||
by including their suffix, or you can use the "-suffix command-line
|
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.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "Section 5"_Section_accelerate.html of the manual for
|
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
|
You can specify the accelerated styles explicitly in your input script
|
||||||
by including their suffix, or you can use the "-suffix command-line
|
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.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "Section 5"_Section_accelerate.html of the manual for
|
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
|
You can specify the accelerated styles explicitly in your input script
|
||||||
by including their suffix, or you can use the "-suffix command-line
|
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.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "Section 5"_Section_accelerate.html of the manual for
|
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
|
You can specify the accelerated styles explicitly in your input script
|
||||||
by including their suffix, or you can use the "-suffix command-line
|
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.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "Section 5"_Section_accelerate.html of the manual for
|
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
|
You can specify the accelerated styles explicitly in your input script
|
||||||
by including their suffix, or you can use the "-suffix command-line
|
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.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "Section 5"_Section_accelerate.html of the manual for
|
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
|
since the SELF option invokes the C-library rewind() call, which may
|
||||||
not be supported for stdin on some systems or by some MPI
|
not be supported for stdin on some systems or by some MPI
|
||||||
implementations. This can be worked around by using the "-in
|
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
|
lmp_g++ -in in.script :pre
|
||||||
|
|
||||||
or by using the "-var command-line
|
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 to the input script. In the latter case, a
|
||||||
"variable"_variable.html called "fname" could be used in place of
|
"variable"_variable.html called "fname" could be used in place of
|
||||||
SELF, e.g.
|
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
|
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
|
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.
|
details.
|
||||||
|
|
||||||
[Restrictions:] none
|
[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
|
Each replica runs on a partition of one or more processors. Processor
|
||||||
partitions are defined at run-time using the -partition command-line
|
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
|
Note that if you have MPI installed, you can run a multi-replica
|
||||||
simulation with more replicas (partitions) than you have physical
|
simulation with more replicas (partitions) than you have physical
|
||||||
processors, e.g you can run a 10-replica simulation on just one or two
|
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
|
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
|
the pairwise list and the number of times neighbor lists were built
|
||||||
are printed to the screen and log file. See "this
|
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
|
[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
|
partition executes the command first. All processors in the partition
|
||||||
are assigned the same value(s). Running LAMMPS on multiple partitions
|
are assigned the same value(s). Running LAMMPS on multiple partitions
|
||||||
of processors via the "-partition" command-line switch is described in
|
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
|
and {uloop}-style variables are incremented using the files
|
||||||
"tmp.lammps.variable" and "tmp.lammps.variable.lock" which you will
|
"tmp.lammps.variable" and "tmp.lammps.variable.lock" which you will
|
||||||
see in your directory during and after such a LAMMPS run.
|
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
|
This command can also be specified from the command-line when
|
||||||
launching LAMMPS, using the "-pk" "command-line
|
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.
|
when used in an input script.
|
||||||
|
|
||||||
Note that all of the accelerator packages require the package command
|
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.
|
accelerator settings.
|
||||||
|
|
||||||
The KOKKOS package requires a "-k on" "command-line
|
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.
|
"package kokkos" command with default settings.
|
||||||
|
|
||||||
For the GPU, USER-INTEL, and USER-OMP packages, if a "-sf gpu" or "-sf
|
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
|
is used to auto-append accelerator suffixes to various styles in the
|
||||||
input script, then those switches also invoke a "package gpu",
|
input script, then those switches also invoke a "package gpu",
|
||||||
"package intel", or "package omp" command with default settings.
|
"package intel", or "package omp" command with default settings.
|
||||||
|
|
||||||
NOTE: A package command for a particular style can be invoked multiple
|
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",
|
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
|
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
|
the style options are set, either to default values or to specified
|
||||||
settings. I.e. settings from previous invocations do not persist
|
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
|
invoked, you should insure the two values are consistent. If they are
|
||||||
not, the last one invoked will take precedence, for both packages.
|
not, the last one invoked will take precedence, for both packages.
|
||||||
Also note that if the "-sf hybrid intel omp" "command-line
|
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
|
intel" command, followed by a "package omp" command, both with a
|
||||||
setting of {Nthreads} = 0.
|
setting of {Nthreads} = 0.
|
||||||
|
|
||||||
@ -550,7 +550,7 @@ LAMMPS"_Section_start.html#start_3 section for more info.
|
|||||||
[Related commands:]
|
[Related commands:]
|
||||||
|
|
||||||
"suffix"_suffix.html, "-pk" "command-line
|
"suffix"_suffix.html, "-pk" "command-line
|
||||||
setting"_Section_start.html#start_7
|
setting"_Section_start.html#start_6
|
||||||
|
|
||||||
[Default:]
|
[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
|
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
|
to Ngpu-1, tpa = 1, and device = not used. These settings are made
|
||||||
automatically if the "-sf gpu" "command-line
|
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
|
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
|
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,
|
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,
|
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
|
except "omp" and "mode", are ignored if LAMMPS was not built with
|
||||||
Xeon Phi coprocessor support. These settings are made automatically
|
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
|
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
|
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,
|
For the KOKKOS package, the option defaults neigh = full,
|
||||||
neigh/qeq = full, newton = off, binsize = 0.0, and comm = device.
|
neigh/qeq = full, newton = off, binsize = 0.0, and comm = device.
|
||||||
These settings are made automatically by the required "-k on" "command-line
|
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"
|
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
|
For the OMP package, the default is Nthreads = 0 and the option
|
||||||
defaults are neigh = yes. These settings are made automatically if
|
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
|
used. If it is not used, you must invoke the package omp command in
|
||||||
your input script or via the "-pk omp" "command-line
|
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
|
You can specify the accelerated styles explicitly in your input script
|
||||||
by including their suffix, or you can use the "-suffix command-line
|
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.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "Section 5"_Section_accelerate.html of the manual for
|
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
|
You can specify the accelerated style explicitly in your input script
|
||||||
by including their suffix, or you can use the "-suffix command-line
|
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.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "Section 5"_Section_accelerate.html of the manual for
|
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
|
You can specify the accelerated styles explicitly in your input script
|
||||||
by including their suffix, or you can use the "-suffix command-line
|
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.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "Section 5"_Section_accelerate.html of the manual for
|
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
|
You can specify the accelerated styles explicitly in your input script
|
||||||
by including their suffix, or you can use the "-suffix command-line
|
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.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "Section 5"_Section_accelerate.html of the manual for
|
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
|
You can specify the accelerated styles explicitly in your input script
|
||||||
by including their suffix, or you can use the "-suffix command-line
|
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.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "Section 5"_Section_accelerate.html of the manual for
|
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
|
You can specify the accelerated styles explicitly in your input script
|
||||||
by including their suffix, or you can use the "-suffix command-line
|
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.
|
use the "suffix"_suffix.html command in your input script.
|
||||||
|
|
||||||
See "this section"_Section_accelerate.html of the manual for more
|
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
Reference in New Issue
Block a user