forked from lijiext/lammps
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6220 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
sjplimp
parent
5a8719e38f
commit
b220fdbcf5
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@ -825,10 +825,6 @@ factors (xy,xz,yz) is as follows:
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</P>
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<CENTER><IMG SRC = "Eqs/box.jpg">
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</CENTER>
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<P>The inverse relationship can be written as follows:
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</P>
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<CENTER><IMG SRC = "Eqs/box_inverse.jpg">
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</CENTER>
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<P>As discussed on the <A HREF = "dump.html">dump</A> command doc page, when the BOX
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BOUNDS for a snapshot is written to a dump file for a triclinic box,
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an orthogonal bounding box which encloses the triclinic simulation box
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@ -1162,7 +1158,7 @@ discussed below, it can be referenced via the following bracket
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notation, where ID in this case is the ID of a compute. The leading
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"c_" would be replaced by "f_" for a fix, or "v_" for a variable:
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</P>
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<DIV ALIGN=center><TABLE WIDTH="0%" BORDER=1 >
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<DIV ALIGN=center><TABLE BORDER=1 >
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<TR><TD >c_ID </TD><TD > entire scalar, vector, or array</TD></TR>
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<TR><TD >c_ID[I] </TD><TD > one element of vector, one column of array</TD></TR>
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<TR><TD >c_ID[I][J] </TD><TD > one element of array
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@ -1356,7 +1352,7 @@ data and scalar/vector/array data.
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input, that could be an element of a vector or array. Likewise a
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vector input could be a column of an array.
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</P>
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<DIV ALIGN=center><TABLE WIDTH="0%" BORDER=1 >
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<DIV ALIGN=center><TABLE BORDER=1 >
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<TR><TD >Command</TD><TD > Input</TD><TD > Output</TD><TD ></TD></TR>
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<TR><TD ><A HREF = "thermo_style.html">thermo_style custom</A></TD><TD > global scalars</TD><TD > screen, log file</TD><TD ></TD></TR>
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<TR><TD ><A HREF = "dump.html">dump custom</A></TD><TD > per-atom vectors</TD><TD > dump file</TD><TD ></TD></TR>
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@ -784,43 +784,50 @@ more processors or setup a smaller problem.
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<H4><A NAME = "2_6"></A>2.6 Command-line options
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</H4>
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<P>At run time, LAMMPS recognizes several optional command-line switches
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which may be used in any order. Either the full word or the
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one-letter abbreviation can be used:
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which may be used in any order. Either the full word or a one-letter
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abbreviation can be used:
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</P>
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<UL><LI>-accelerator or -a
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<LI>-echo or -e
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<LI>-partition or -p
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<LI>-in or -i
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<LI>-log or -l
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<LI>-screen or -s
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<LI>-var or -v
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<UL><LI>-a or -accelerator
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<LI>-e or -echo
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<LI>-i or -in
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<LI>-l or -log
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<LI>-p or -partition
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<LI>-s or -screen
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<LI>-v or -var
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</UL>
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<P>For example, lmp_ibm might be launched as follows:
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</P>
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<PRE>mpirun -np 16 lmp_ibm -var f tmp.out -log my.log -screen none < in.alloy
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<PRE>mpirun -np 16 lmp_ibm -v f tmp.out -l my.log -s none < in.alloy
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mpirun -np 16 lmp_ibm -var f tmp.out -log my.log -screen none < in.alloy
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</PRE>
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<P>Here are the details on the options:
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</P>
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<PRE>-accelerator style
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</PRE>
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<P>Use accelerated variants of various styles if they exist. The style
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can be <I>opt</I> or <I>gpu</I> or <I>cuda</I>. The variant styles are part of
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optional packages that LAMMPS can be built with, as described above in
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<A HREF = "#2_3">Section 2.3</A>. Also see the <A HREF = "accelerator.html">acclerator</A>
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command doc page. The "opt" style corrsponds to the OPT package, the
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"gpu" style to the GPU package, and the "cuda" style to the USER-CUDA
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package. For example, all of the packages provide a <A HREF = "pair_lj.html">pair_style
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lj/cut</A> variant, with style names lj/cut/opt or
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lj/cut/gpu or lj/cut/cuda.
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<P>Use accelerated variants of various styles if they exist. The
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specified style can be <I>none</I> or <I>opt</I> or <I>gpu</I> or <I>cuda</I>. <I>None</I>
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means do not attempt to use an accelerated style, unless it is
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explicitly specified in the input script. <I>Opt</I>, <I>gpu</I>, and <I>cuda</I>
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refer to optional packages that LAMMPS can be built with, as described
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above in <A HREF = "#2_3">Section 2.3</A>. The "opt" style corrsponds to the OPT
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package, the "gpu" style to the GPU package, and the "cuda" style to
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the USER-CUDA package.
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</P>
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<P>These accelerated styles can be specified explicitly in your input
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script, e.g. pair_style lj/cut/gpu. If the -accelerator switch is
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used, you do not need to modify your input script. The accelerator
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suffix (opt,gpu,cuda) is automatically appended when the style is
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created for atom, pair, fix, compute, and integrate styles. If an
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accelerated version does not exist, the standard version is created.
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See the <A HREF = "accelerator.html">accelerator</A> command for info on how to
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temporarily turn off this option.
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<P>As an example, all of the packages provide a <A HREF = "pair_lj.html">pair_style
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lj/cut</A> variant, with style names lj/cut/opt or
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lj/cut/gpu or lj/cut/cuda. Any accelerated styles can be specified
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explicitly in your input script, e.g. pair_style lj/cut/gpu. If the
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-accelerator switch is used, you do not need to modify your input
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script. The accelerator suffix (opt,gpu,cuda) is automatically
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appended when the style is created for atom, pair, fix, compute, and
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integrate styles. If an accelerated version does not exist, the
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standard version is created.
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</P>
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<P>The default value of this switch is "none", unless LAMMPS was built
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with the USER-CUDA package, in which case the default value is "cuda".
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See the <A HREF = "accelerator.html">acclerator</A> command doc page for info on how
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to turn off/on the suffix associated with this switch within your
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input script.
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</P>
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<PRE>-echo style
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</PRE>
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@ -831,6 +838,28 @@ can be useful to figure out which line of your script is causing an
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input error. The default value is <I>log</I>. The echo style can also be
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set by using the <A HREF = "echo.html">echo</A> command in the input script itself.
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</P>
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<PRE>-in file
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</PRE>
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<P>Specify a file to use as an input script. This is an optional switch
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when running LAMMPS in one-partition mode. If it is not specified,
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LAMMPS reads its input script from stdin - e.g. lmp_linux < in.run.
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This is a required switch when running LAMMPS in multi-partition mode,
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since multiple processors cannot all read from stdin.
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</P>
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<PRE>-log file
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</PRE>
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<P>Specify a log file for LAMMPS to write status information to. In
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one-partition mode, if the switch is not used, LAMMPS writes to the
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file log.lammps. If this switch is used, LAMMPS writes to the
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specified file. In multi-partition mode, if the switch is not used, a
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log.lammps file is created with hi-level status information. Each
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partition also writes to a log.lammps.N file where N is the partition
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ID. If the switch is specified in multi-partition mode, the hi-level
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logfile is named "file" and each partition also logs information to a
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file.N. For both one-partition and multi-partition mode, if the
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specified file is "none", then no log files are created. Using a
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<A HREF = "log.html">log</A> command in the input script will override this setting.
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</P>
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<PRE>-partition 8x2 4 5 ...
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</PRE>
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<P>Invoke LAMMPS in multi-partition mode. When LAMMPS is run on P
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@ -857,28 +886,6 @@ these commands in this way. Simulations running on different
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partitions can also communicate with each other; see the
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<A HREF = "temper.html">temper</A> command.
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</P>
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<PRE>-in file
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</PRE>
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<P>Specify a file to use as an input script. This is an optional switch
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when running LAMMPS in one-partition mode. If it is not specified,
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LAMMPS reads its input script from stdin - e.g. lmp_linux < in.run.
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This is a required switch when running LAMMPS in multi-partition mode,
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since multiple processors cannot all read from stdin.
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</P>
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<PRE>-log file
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</PRE>
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<P>Specify a log file for LAMMPS to write status information to. In
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one-partition mode, if the switch is not used, LAMMPS writes to the
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file log.lammps. If this switch is used, LAMMPS writes to the
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specified file. In multi-partition mode, if the switch is not used, a
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log.lammps file is created with hi-level status information. Each
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partition also writes to a log.lammps.N file where N is the partition
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ID. If the switch is specified in multi-partition mode, the hi-level
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logfile is named "file" and each partition also logs information to a
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file.N. For both one-partition and multi-partition mode, if the
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specified file is "none", then no log files are created. Using a
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<A HREF = "log.html">log</A> command in the input script will override this setting.
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</P>
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<PRE>-screen file
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</PRE>
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<P>Specify a file for LAMMPS to write its screen information to. In
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|
|
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@ -774,43 +774,50 @@ more processors or setup a smaller problem.
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2.6 Command-line options :h4,link(2_6)
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At run time, LAMMPS recognizes several optional command-line switches
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which may be used in any order. Either the full word or the
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one-letter abbreviation can be used:
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which may be used in any order. Either the full word or a one-letter
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abbreviation can be used:
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-accelerator or -a
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-echo or -e
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-partition or -p
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-in or -i
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-log or -l
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-screen or -s
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-var or -v :ul
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-a or -accelerator
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-e or -echo
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-i or -in
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-l or -log
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-p or -partition
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-s or -screen
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-v or -var :ul
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For example, lmp_ibm might be launched as follows:
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mpirun -np 16 lmp_ibm -v f tmp.out -l my.log -s none < in.alloy
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mpirun -np 16 lmp_ibm -var f tmp.out -log my.log -screen none < in.alloy :pre
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Here are the details on the options:
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-accelerator style :pre
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Use accelerated variants of various styles if they exist. The style
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can be {opt} or {gpu} or {cuda}. The variant styles are part of
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optional packages that LAMMPS can be built with, as described above in
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"Section 2.3"_#2_3. Also see the "acclerator"_accelerator.html
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command doc page. The "opt" style corrsponds to the OPT package, the
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"gpu" style to the GPU package, and the "cuda" style to the USER-CUDA
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package. For example, all of the packages provide a "pair_style
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lj/cut"_pair_lj.html variant, with style names lj/cut/opt or
|
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lj/cut/gpu or lj/cut/cuda.
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Use accelerated variants of various styles if they exist. The
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specified style can be {none} or {opt} or {gpu} or {cuda}. {None}
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means do not attempt to use an accelerated style, unless it is
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explicitly specified in the input script. {Opt}, {gpu}, and {cuda}
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refer to optional packages that LAMMPS can be built with, as described
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above in "Section 2.3"_#2_3. The "opt" style corrsponds to the OPT
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package, the "gpu" style to the GPU package, and the "cuda" style to
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the USER-CUDA package.
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These accelerated styles can be specified explicitly in your input
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script, e.g. pair_style lj/cut/gpu. If the -accelerator switch is
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used, you do not need to modify your input script. The accelerator
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suffix (opt,gpu,cuda) is automatically appended when the style is
|
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created for atom, pair, fix, compute, and integrate styles. If an
|
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accelerated version does not exist, the standard version is created.
|
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See the "accelerator"_accelerator.html command for info on how to
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temporarily turn off this option.
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As an example, all of the packages provide a "pair_style
|
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lj/cut"_pair_lj.html variant, with style names lj/cut/opt or
|
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lj/cut/gpu or lj/cut/cuda. Any accelerated styles can be specified
|
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explicitly in your input script, e.g. pair_style lj/cut/gpu. If the
|
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-accelerator switch is used, you do not need to modify your input
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script. The accelerator suffix (opt,gpu,cuda) is automatically
|
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appended when the style is created for atom, pair, fix, compute, and
|
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integrate styles. If an accelerated version does not exist, the
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standard version is created.
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|
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The default value of this switch is "none", unless LAMMPS was built
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with the USER-CUDA package, in which case the default value is "cuda".
|
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See the "acclerator"_accelerator.html command doc page for info on how
|
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to turn off/on the suffix associated with this switch within your
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input script.
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-echo style :pre
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|
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@ -821,6 +828,28 @@ can be useful to figure out which line of your script is causing an
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input error. The default value is {log}. The echo style can also be
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set by using the "echo"_echo.html command in the input script itself.
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-in file :pre
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Specify a file to use as an input script. This is an optional switch
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when running LAMMPS in one-partition mode. If it is not specified,
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LAMMPS reads its input script from stdin - e.g. lmp_linux < in.run.
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This is a required switch when running LAMMPS in multi-partition mode,
|
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since multiple processors cannot all read from stdin.
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-log file :pre
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Specify a log file for LAMMPS to write status information to. In
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one-partition mode, if the switch is not used, LAMMPS writes to the
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file log.lammps. If this switch is used, LAMMPS writes to the
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specified file. In multi-partition mode, if the switch is not used, a
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log.lammps file is created with hi-level status information. Each
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partition also writes to a log.lammps.N file where N is the partition
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ID. If the switch is specified in multi-partition mode, the hi-level
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logfile is named "file" and each partition also logs information to a
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file.N. For both one-partition and multi-partition mode, if the
|
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specified file is "none", then no log files are created. Using a
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"log"_log.html command in the input script will override this setting.
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-partition 8x2 4 5 ... :pre
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Invoke LAMMPS in multi-partition mode. When LAMMPS is run on P
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@ -847,28 +876,6 @@ these commands in this way. Simulations running on different
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partitions can also communicate with each other; see the
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"temper"_temper.html command.
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-in file :pre
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Specify a file to use as an input script. This is an optional switch
|
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when running LAMMPS in one-partition mode. If it is not specified,
|
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LAMMPS reads its input script from stdin - e.g. lmp_linux < in.run.
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This is a required switch when running LAMMPS in multi-partition mode,
|
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since multiple processors cannot all read from stdin.
|
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|
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-log file :pre
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|
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Specify a log file for LAMMPS to write status information to. In
|
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one-partition mode, if the switch is not used, LAMMPS writes to the
|
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file log.lammps. If this switch is used, LAMMPS writes to the
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specified file. In multi-partition mode, if the switch is not used, a
|
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log.lammps file is created with hi-level status information. Each
|
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partition also writes to a log.lammps.N file where N is the partition
|
||||
ID. If the switch is specified in multi-partition mode, the hi-level
|
||||
logfile is named "file" and each partition also logs information to a
|
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file.N. For both one-partition and multi-partition mode, if the
|
||||
specified file is "none", then no log files are created. Using a
|
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"log"_log.html command in the input script will override this setting.
|
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|
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-screen file :pre
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|
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Specify a file for LAMMPS to write its screen information to. In
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|
|
|
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@ -64,8 +64,7 @@ be useful for performance testing or debugging.
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</P>
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<P>The <I>off</I> style allows you to do this. The effect of the -accelerator
|
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command-line switch is effectively turned off until another
|
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accelerator command is used with the <I>on</I> style. The <I>on</I> style can
|
||||
only be used if the -accelerator command-line switch was used.
|
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accelerator command is used with the <I>on</I> style.
|
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</P>
|
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<P>The <I>cuda</I> style invokes options associated with the use of the
|
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USER-CUDA package. These will be described when the USER-CUDA package
|
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@ -77,8 +76,8 @@ is released with LAMMPS.
|
|||
USER-CUDA package. See the <A HREF = "Section_start.html#2_3">Making LAMMPS</A>
|
||||
section for more info.
|
||||
</P>
|
||||
<P>Obviously, you must have GPU hardware and associated software to
|
||||
build LAMMPS with GPU support.
|
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<P>Obviously, you must have GPU hardware and associated software to build
|
||||
and use LAMMPS with either the GPU or USER_CUDA packages.
|
||||
</P>
|
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<P><B>Related commands:</B>
|
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</P>
|
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|
|
|
|||
|
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@ -58,8 +58,7 @@ be useful for performance testing or debugging.
|
|||
|
||||
The {off} style allows you to do this. The effect of the -accelerator
|
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command-line switch is effectively turned off until another
|
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accelerator command is used with the {on} style. The {on} style can
|
||||
only be used if the -accelerator command-line switch was used.
|
||||
accelerator command is used with the {on} style.
|
||||
|
||||
The {cuda} style invokes options associated with the use of the
|
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USER-CUDA package. These will be described when the USER-CUDA package
|
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|
|
@ -71,8 +70,8 @@ This cuda style can only be invoked if LAMMPS was built with the
|
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USER-CUDA package. See the "Making LAMMPS"_Section_start.html#2_3
|
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section for more info.
|
||||
|
||||
Obviously, you must have GPU hardware and associated software to
|
||||
build LAMMPS with GPU support.
|
||||
Obviously, you must have GPU hardware and associated software to build
|
||||
and use LAMMPS with either the GPU or USER_CUDA packages.
|
||||
|
||||
[Related commands:]
|
||||
|
||||
|
|
|
|||
Loading…
Reference in New Issue