mirror of https://github.com/lammps/lammps.git
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6266 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
sjplimp
parent
bf1d550bfd
commit
1d7c1ff18b
|
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@ -32,11 +32,11 @@ style exist in LAMMPS:
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</UL>
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<P>Assuming you have built LAMMPS with the appropriate package, these
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styles can be invoked by specifying them explicitly in your input
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script. Or you can use the <A HREF = "Section_start.html#2_6">-accelerator command-line
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script. Or you can use the <A HREF = "Section_start.html#2_6">-suffix command-line
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switch</A> to invoke the accelerated versions
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automatically. See the <A HREF = "accelerator.html">acclerator</A> command for info
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on how to turn off/on the suffix associated with this switch within
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your input script.
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automatically. See the <A HREF = "suffix.html">suffix</A> command 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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<P>Styles with an "opt" suffix are part of the OPT package and typically
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speed-up the pairwise portion of your simulation by 5-25%.
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|
|
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@ -29,11 +29,11 @@ style exist in LAMMPS:
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|
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Assuming you have built LAMMPS with the appropriate package, these
|
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styles can be invoked by specifying them explicitly in your input
|
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script. Or you can use the "-accelerator command-line
|
||||
script. Or you can use the "-suffix command-line
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switch"_Section_start.html#2_6 to invoke the accelerated versions
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automatically. See the "acclerator"_accelerator.html command for info
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on how to turn off/on the suffix associated with this switch within
|
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your input script.
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automatically. See the "suffix"_suffix.html command 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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Styles with an "opt" suffix are part of the OPT package and typically
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speed-up the pairwise portion of your simulation by 5-25%.
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|
|
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@ -311,20 +311,20 @@ default LAMMPS build. These dependencies are listed as Restrictions
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in the command's documentation.
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</P>
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<DIV ALIGN=center><TABLE BORDER=1 >
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<TR ALIGN="center"><TD ><A HREF = "accelerator.html">accelerator</A></TD><TD ><A HREF = "angle_coeff.html">angle_coeff</A></TD><TD ><A HREF = "angle_style.html">angle_style</A></TD><TD ><A HREF = "atom_modify.html">atom_modify</A></TD><TD ><A HREF = "atom_style.html">atom_style</A></TD><TD ><A HREF = "bond_coeff.html">bond_coeff</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "bond_style.html">bond_style</A></TD><TD ><A HREF = "boundary.html">boundary</A></TD><TD ><A HREF = "change_box.html">change_box</A></TD><TD ><A HREF = "clear.html">clear</A></TD><TD ><A HREF = "communicate.html">communicate</A></TD><TD ><A HREF = "compute.html">compute</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "compute_modify.html">compute_modify</A></TD><TD ><A HREF = "create_atoms.html">create_atoms</A></TD><TD ><A HREF = "create_box.html">create_box</A></TD><TD ><A HREF = "delete_atoms.html">delete_atoms</A></TD><TD ><A HREF = "delete_bonds.html">delete_bonds</A></TD><TD ><A HREF = "dielectric.html">dielectric</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "dihedral_coeff.html">dihedral_coeff</A></TD><TD ><A HREF = "dihedral_style.html">dihedral_style</A></TD><TD ><A HREF = "dimension.html">dimension</A></TD><TD ><A HREF = "displace_atoms.html">displace_atoms</A></TD><TD ><A HREF = "displace_box.html">displace_box</A></TD><TD ><A HREF = "dump.html">dump</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "dump_modify.html">dump_modify</A></TD><TD ><A HREF = "echo.html">echo</A></TD><TD ><A HREF = "fix.html">fix</A></TD><TD ><A HREF = "fix_modify.html">fix_modify</A></TD><TD ><A HREF = "group.html">group</A></TD><TD ><A HREF = "if.html">if</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "improper_coeff.html">improper_coeff</A></TD><TD ><A HREF = "improper_style.html">improper_style</A></TD><TD ><A HREF = "include.html">include</A></TD><TD ><A HREF = "jump.html">jump</A></TD><TD ><A HREF = "kspace_modify.html">kspace_modify</A></TD><TD ><A HREF = "kspace_style.html">kspace_style</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "label.html">label</A></TD><TD ><A HREF = "lattice.html">lattice</A></TD><TD ><A HREF = "log.html">log</A></TD><TD ><A HREF = "mass.html">mass</A></TD><TD ><A HREF = "minimize.html">minimize</A></TD><TD ><A HREF = "min_modify.html">min_modify</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "min_style.html">min_style</A></TD><TD ><A HREF = "neb.html">neb</A></TD><TD ><A HREF = "neigh_modify.html">neigh_modify</A></TD><TD ><A HREF = "neighbor.html">neighbor</A></TD><TD ><A HREF = "newton.html">newton</A></TD><TD ><A HREF = "next.html">next</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "angle_coeff.html">angle_coeff</A></TD><TD ><A HREF = "angle_style.html">angle_style</A></TD><TD ><A HREF = "atom_modify.html">atom_modify</A></TD><TD ><A HREF = "atom_style.html">atom_style</A></TD><TD ><A HREF = "bond_coeff.html">bond_coeff</A></TD><TD ><A HREF = "bond_style.html">bond_style</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "boundary.html">boundary</A></TD><TD ><A HREF = "change_box.html">change_box</A></TD><TD ><A HREF = "clear.html">clear</A></TD><TD ><A HREF = "communicate.html">communicate</A></TD><TD ><A HREF = "compute.html">compute</A></TD><TD ><A HREF = "compute_modify.html">compute_modify</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "create_atoms.html">create_atoms</A></TD><TD ><A HREF = "create_box.html">create_box</A></TD><TD ><A HREF = "delete_atoms.html">delete_atoms</A></TD><TD ><A HREF = "delete_bonds.html">delete_bonds</A></TD><TD ><A HREF = "dielectric.html">dielectric</A></TD><TD ><A HREF = "dihedral_coeff.html">dihedral_coeff</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "dihedral_style.html">dihedral_style</A></TD><TD ><A HREF = "dimension.html">dimension</A></TD><TD ><A HREF = "displace_atoms.html">displace_atoms</A></TD><TD ><A HREF = "displace_box.html">displace_box</A></TD><TD ><A HREF = "dump.html">dump</A></TD><TD ><A HREF = "dump_modify.html">dump_modify</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "echo.html">echo</A></TD><TD ><A HREF = "fix.html">fix</A></TD><TD ><A HREF = "fix_modify.html">fix_modify</A></TD><TD ><A HREF = "group.html">group</A></TD><TD ><A HREF = "if.html">if</A></TD><TD ><A HREF = "improper_coeff.html">improper_coeff</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "improper_style.html">improper_style</A></TD><TD ><A HREF = "include.html">include</A></TD><TD ><A HREF = "jump.html">jump</A></TD><TD ><A HREF = "kspace_modify.html">kspace_modify</A></TD><TD ><A HREF = "kspace_style.html">kspace_style</A></TD><TD ><A HREF = "label.html">label</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "lattice.html">lattice</A></TD><TD ><A HREF = "log.html">log</A></TD><TD ><A HREF = "mass.html">mass</A></TD><TD ><A HREF = "minimize.html">minimize</A></TD><TD ><A HREF = "min_modify.html">min_modify</A></TD><TD ><A HREF = "min_style.html">min_style</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "neb.html">neb</A></TD><TD ><A HREF = "neigh_modify.html">neigh_modify</A></TD><TD ><A HREF = "neighbor.html">neighbor</A></TD><TD ><A HREF = "newton.html">newton</A></TD><TD ><A HREF = "next.html">next</A></TD><TD ><A HREF = "package.html">package</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_coeff.html">pair_coeff</A></TD><TD ><A HREF = "pair_modify.html">pair_modify</A></TD><TD ><A HREF = "pair_style.html">pair_style</A></TD><TD ><A HREF = "pair_write.html">pair_write</A></TD><TD ><A HREF = "prd.html">prd</A></TD><TD ><A HREF = "print.html">print</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "processors.html">processors</A></TD><TD ><A HREF = "read_data.html">read_data</A></TD><TD ><A HREF = "read_restart.html">read_restart</A></TD><TD ><A HREF = "region.html">region</A></TD><TD ><A HREF = "replicate.html">replicate</A></TD><TD ><A HREF = "reset_timestep.html">reset_timestep</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "restart.html">restart</A></TD><TD ><A HREF = "run.html">run</A></TD><TD ><A HREF = "run_style.html">run_style</A></TD><TD ><A HREF = "set.html">set</A></TD><TD ><A HREF = "shell.html">shell</A></TD><TD ><A HREF = "special_bonds.html">special_bonds</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "tad.html">tad</A></TD><TD ><A HREF = "temper.html">temper</A></TD><TD ><A HREF = "thermo.html">thermo</A></TD><TD ><A HREF = "thermo_modify.html">thermo_modify</A></TD><TD ><A HREF = "thermo_style.html">thermo_style</A></TD><TD ><A HREF = "timestep.html">timestep</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "uncompute.html">uncompute</A></TD><TD ><A HREF = "undump.html">undump</A></TD><TD ><A HREF = "unfix.html">unfix</A></TD><TD ><A HREF = "units.html">units</A></TD><TD ><A HREF = "variable.html">variable</A></TD><TD ><A HREF = "velocity.html">velocity</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "write_restart.html">write_restart</A>
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<TR ALIGN="center"><TD ><A HREF = "suffix.html">suffix</A></TD><TD ><A HREF = "tad.html">tad</A></TD><TD ><A HREF = "temper.html">temper</A></TD><TD ><A HREF = "thermo.html">thermo</A></TD><TD ><A HREF = "thermo_modify.html">thermo_modify</A></TD><TD ><A HREF = "thermo_style.html">thermo_style</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "timestep.html">timestep</A></TD><TD ><A HREF = "uncompute.html">uncompute</A></TD><TD ><A HREF = "undump.html">undump</A></TD><TD ><A HREF = "unfix.html">unfix</A></TD><TD ><A HREF = "units.html">units</A></TD><TD ><A HREF = "variable.html">variable</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "velocity.html">velocity</A></TD><TD ><A HREF = "write_restart.html">write_restart</A>
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</TD></TR></TABLE></DIV>
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<HR>
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|
|
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@ -307,7 +307,6 @@ included when LAMMPS was built. Not all packages are included in a
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default LAMMPS build. These dependencies are listed as Restrictions
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in the command's documentation.
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"accelerator"_accelerator.html,
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"angle_coeff"_angle_coeff.html,
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"angle_style"_angle_style.html,
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"atom_modify"_atom_modify.html,
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@ -355,6 +354,7 @@ in the command's documentation.
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"neighbor"_neighbor.html,
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"newton"_newton.html,
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"next"_next.html,
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"package"_package.html,
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"pair_coeff"_pair_coeff.html,
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"pair_modify"_pair_modify.html,
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"pair_style"_pair_style.html,
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@ -373,6 +373,7 @@ in the command's documentation.
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"set"_set.html,
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"shell"_shell.html,
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"special_bonds"_special_bonds.html,
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"suffix"_suffix.html,
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"tad"_tad.html,
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"temper"_temper.html,
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"thermo"_thermo.html,
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|
|
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@ -802,47 +802,33 @@ more processors or setup a smaller problem.
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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>-a or -accelerator
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<UL><LI>-c or -cuda
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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>-sc or -screen
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<LI>-sf or -suffix
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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 -v f tmp.out -l my.log -s none < in.alloy
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<PRE>mpirun -np 16 lmp_ibm -v f tmp.out -l my.log -sc 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>-cuda on/off
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</PRE>
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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>
|
||||
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>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
|
||||
-accelerator switch is used, you do not need to modify your input
|
||||
script. The accelerator suffix (opt,gpu,cuda) is automatically
|
||||
appended when the style is created for atom, pair, fix, compute, and
|
||||
integrate styles. If an accelerated version does not exist, the
|
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standard version is created.
|
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</P>
|
||||
<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 for info on how to turn
|
||||
off/on the suffix associated with this switch within your input
|
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script.
|
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<P>Explicitly enable or disable CUDA support, as provided by the
|
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USER-CUDA package. If LAMMPS is built with this package, as described
|
||||
above in <A HREF = "#2_3">Section 2.3</A>, then by default LAMMPS will run in CUDA
|
||||
mode. If this switch is set to "off", then it will not, even if it
|
||||
was built with the USER-CUDA package, which means you can run standard
|
||||
LAMMPS or with the GPU package for testing or benchmarking purposes.
|
||||
The only reason to set the switch to "on", is to check if LAMMPS was
|
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built with the USER-CUDA package, since an error will be generated if
|
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it was not.
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</P>
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<PRE>-echo style
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</PRE>
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@ -915,6 +901,27 @@ writes screen information to a file.N. For both one-partition and
|
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multi-partition mode, if the specified file is "none", then no screen
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output is performed.
|
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</P>
|
||||
<PRE>-suffix style
|
||||
</PRE>
|
||||
<P>Use variants of various styles if they exist. The specified style can
|
||||
be <I>opt</I> or <I>gpu</I> or <I>cuda</I>. These refer to optional packages that
|
||||
LAMMPS can be built with, as described above in <A HREF = "#2_3">Section 2.3</A>.
|
||||
The "opt" style corrsponds to the OPT package, the "gpu" style to the
|
||||
GPU package, and the "cuda" style to the USER-CUDA package.
|
||||
</P>
|
||||
<P>As an example, all of the packages provide a <A HREF = "pair_lj.html">pair_style
|
||||
lj/cut</A> variant, with style names lj/cut/opt or
|
||||
lj/cut/gpu or lj/cut/cuda. Any variant styles can be specified
|
||||
explicitly in your input script, e.g. pair_style lj/cut/gpu. If the
|
||||
-suffix switch is used, you do not need to modify your input script.
|
||||
The specified suffix (opt,gpu,cuda) is automatically appended whenever
|
||||
an input script command creates a new atom, pair, fix, compute, or
|
||||
integrate style. If the variant version does not exist, the standard
|
||||
version is created.
|
||||
</P>
|
||||
<P>The <A HREF = "suffix.html">suffix</A> command can also set the suffix and it can
|
||||
also turn off/on the suffix associated with this command-line switch.
|
||||
</P>
|
||||
<PRE>-var name value1 value2 ...
|
||||
</PRE>
|
||||
<P>Specify a variable that will be defined for substitution purposes when
|
||||
|
|
|
|||
|
|
@ -792,47 +792,33 @@ At run time, LAMMPS recognizes several optional command-line switches
|
|||
which may be used in any order. Either the full word or a one-letter
|
||||
abbreviation can be used:
|
||||
|
||||
-a or -accelerator
|
||||
-c or -cuda
|
||||
-e or -echo
|
||||
-i or -in
|
||||
-l or -log
|
||||
-p or -partition
|
||||
-s or -screen
|
||||
-sc or -screen
|
||||
-sf or -suffix
|
||||
-v or -var :ul
|
||||
|
||||
For example, lmp_ibm might be launched as follows:
|
||||
|
||||
mpirun -np 16 lmp_ibm -v f tmp.out -l my.log -s none < in.alloy
|
||||
mpirun -np 16 lmp_ibm -v f tmp.out -l my.log -sc none < in.alloy
|
||||
mpirun -np 16 lmp_ibm -var f tmp.out -log my.log -screen none < in.alloy :pre
|
||||
|
||||
Here are the details on the options:
|
||||
|
||||
-accelerator style :pre
|
||||
-cuda on/off :pre
|
||||
|
||||
Use accelerated variants of various styles if they exist. The
|
||||
specified style can be {none} or {opt} or {gpu} or {cuda}. {None}
|
||||
means do not attempt to use an accelerated style, unless it is
|
||||
explicitly specified in the input script. {Opt}, {gpu}, and {cuda}
|
||||
refer to optional packages that LAMMPS can be built with, as described
|
||||
above in "Section 2.3"_#2_3. The "opt" style corrsponds to the OPT
|
||||
package, the "gpu" style to the GPU package, and the "cuda" style to
|
||||
the USER-CUDA package.
|
||||
|
||||
As an example, all of the packages provide a "pair_style
|
||||
lj/cut"_pair_lj.html variant, with style names lj/cut/opt or
|
||||
lj/cut/gpu or lj/cut/cuda. Any accelerated styles can be specified
|
||||
explicitly in your input script, e.g. pair_style lj/cut/gpu. If the
|
||||
-accelerator switch is used, you do not need to modify your input
|
||||
script. The accelerator suffix (opt,gpu,cuda) is automatically
|
||||
appended when the style is created for atom, pair, fix, compute, and
|
||||
integrate styles. If an accelerated version does not exist, the
|
||||
standard version is created.
|
||||
|
||||
The default value of this switch is "none", unless LAMMPS was built
|
||||
with the USER-CUDA package, in which case the default value is "cuda".
|
||||
See the "acclerator"_accelerator.html command for info on how to turn
|
||||
off/on the suffix associated with this switch within your input
|
||||
script.
|
||||
Explicitly enable or disable CUDA support, as provided by the
|
||||
USER-CUDA package. If LAMMPS is built with this package, as described
|
||||
above in "Section 2.3"_#2_3, then by default LAMMPS will run in CUDA
|
||||
mode. If this switch is set to "off", then it will not, even if it
|
||||
was built with the USER-CUDA package, which means you can run standard
|
||||
LAMMPS or with the GPU package for testing or benchmarking purposes.
|
||||
The only reason to set the switch to "on", is to check if LAMMPS was
|
||||
built with the USER-CUDA package, since an error will be generated if
|
||||
it was not.
|
||||
|
||||
-echo style :pre
|
||||
|
||||
|
|
@ -905,6 +891,27 @@ writes screen information to a file.N. For both one-partition and
|
|||
multi-partition mode, if the specified file is "none", then no screen
|
||||
output is performed.
|
||||
|
||||
-suffix style :pre
|
||||
|
||||
Use variants of various styles if they exist. The specified style can
|
||||
be {opt} or {gpu} or {cuda}. These refer to optional packages that
|
||||
LAMMPS can be built with, as described above in "Section 2.3"_#2_3.
|
||||
The "opt" style corrsponds to the OPT package, the "gpu" style to the
|
||||
GPU package, and the "cuda" style to the USER-CUDA package.
|
||||
|
||||
As an example, all of the packages provide a "pair_style
|
||||
lj/cut"_pair_lj.html variant, with style names lj/cut/opt or
|
||||
lj/cut/gpu or lj/cut/cuda. Any variant styles can be specified
|
||||
explicitly in your input script, e.g. pair_style lj/cut/gpu. If the
|
||||
-suffix switch is used, you do not need to modify your input script.
|
||||
The specified suffix (opt,gpu,cuda) is automatically appended whenever
|
||||
an input script command creates a new atom, pair, fix, compute, or
|
||||
integrate style. If the variant version does not exist, the standard
|
||||
version is created.
|
||||
|
||||
The "suffix"_suffix.html command can also set the suffix and it can
|
||||
also turn off/on the suffix associated with this command-line switch.
|
||||
|
||||
-var name value1 value2 ... :pre
|
||||
|
||||
Specify a variable that will be defined for substitution purposes when
|
||||
|
|
|
|||
|
|
@ -0,0 +1,54 @@
|
|||
<HTML>
|
||||
<CENTER><A HREF = "http://lammps.sandia.gov">LAMMPS WWW Site</A> - <A HREF = "Manual.html">LAMMPS Documentation</A> - <A HREF = "Section_commands.html#comm">LAMMPS Commands</A>
|
||||
</CENTER>
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
<HR>
|
||||
|
||||
<H3>package command
|
||||
</H3>
|
||||
<P><B>Syntax:</B>
|
||||
</P>
|
||||
<PRE>package style args
|
||||
</PRE>
|
||||
<UL><LI>style = <I>cuda</I>
|
||||
|
||||
<LI>args = 0 or more args specific to the style
|
||||
|
||||
<PRE> <I>cuda</I> args = to be determined
|
||||
</PRE>
|
||||
|
||||
</UL>
|
||||
<P><B>Examples:</B>
|
||||
</P>
|
||||
<PRE>package cuda blah
|
||||
</PRE>
|
||||
<P><B>Description:</B>
|
||||
</P>
|
||||
<P>This command is to set package-specific settings. Currently only
|
||||
the USER-CUDA package uses it.
|
||||
</P>
|
||||
<P>The <I>cuda</I> style invokes options associated with the use of the
|
||||
USER-CUDA package. These will be described when the USER-CUDA package
|
||||
is released with LAMMPS.
|
||||
</P>
|
||||
<P><B>Restrictions:</B>
|
||||
</P>
|
||||
<P>The cuda style of this command can only be invoked if LAMMPS was built
|
||||
with the 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
|
||||
and use LAMMPS with either the GPU or USER-CUDA packages.
|
||||
</P>
|
||||
<P><B>Related commands:</B>
|
||||
</P>
|
||||
<P><A HREF = "fix_gpu.html">fix gpu</A>
|
||||
</P>
|
||||
<P><B>Default:</B> none
|
||||
</P>
|
||||
</HTML>
|
||||
|
|
@ -0,0 +1,46 @@
|
|||
"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
|
||||
|
||||
:link(lws,http://lammps.sandia.gov)
|
||||
:link(ld,Manual.html)
|
||||
:link(lc,Section_commands.html#comm)
|
||||
|
||||
:line
|
||||
|
||||
package command :h3
|
||||
|
||||
[Syntax:]
|
||||
|
||||
package style args :pre
|
||||
|
||||
style = {cuda} :ulb,l
|
||||
args = 0 or more args specific to the style :l
|
||||
{cuda} args = to be determined :pre
|
||||
:ule
|
||||
|
||||
[Examples:]
|
||||
|
||||
package cuda blah :pre
|
||||
|
||||
[Description:]
|
||||
|
||||
This command is to set package-specific settings. Currently only
|
||||
the USER-CUDA package uses it.
|
||||
|
||||
The {cuda} style invokes options associated with the use of the
|
||||
USER-CUDA package. These will be described when the USER-CUDA package
|
||||
is released with LAMMPS.
|
||||
|
||||
[Restrictions:]
|
||||
|
||||
The cuda style of this command can only be invoked if LAMMPS was built
|
||||
with the USER-CUDA package. See the "Making
|
||||
LAMMPS"_Section_start.html#2_3 section for more info.
|
||||
|
||||
Obviously, you must have GPU hardware and associated software to build
|
||||
and use LAMMPS with either the GPU or USER-CUDA packages.
|
||||
|
||||
[Related commands:]
|
||||
|
||||
"fix gpu"_fix_gpu.html
|
||||
|
||||
[Default:] none
|
||||
|
|
@ -9,30 +9,44 @@
|
|||
|
||||
<HR>
|
||||
|
||||
<H3>accelerator command
|
||||
<H3>suffix command
|
||||
</H3>
|
||||
<P><B>Syntax:</B>
|
||||
</P>
|
||||
<PRE>accelerator style args
|
||||
<PRE>suffix style
|
||||
</PRE>
|
||||
<UL><LI>style = <I>off</I> or <I>on</I> or <I>cuda</I>
|
||||
|
||||
<LI>args = 0 or more args specific to the style
|
||||
|
||||
<PRE> <I>off</I> args = none
|
||||
<I>on</I> args = none
|
||||
<I>cuda</I> args = to be determined
|
||||
</PRE>
|
||||
|
||||
<UL><LI>style = <I>off</I> or <I>on</I> or <I>opt</I> or <I>gpu</I> or <I>cuda</I>
|
||||
</UL>
|
||||
<P><B>Examples:</B>
|
||||
</P>
|
||||
<PRE>accelerator off
|
||||
accelerator on
|
||||
accelerator cuda blah
|
||||
<PRE>suffix off
|
||||
suffix on
|
||||
suffix gpu
|
||||
</PRE>
|
||||
<P><B>Description:</B>
|
||||
</P>
|
||||
<P>This command allows you to set a suffix which will
|
||||
be added
|
||||
</P>
|
||||
<P>Use variants of various styles if they exist. The specified style can
|
||||
be <I>opt</I> or <I>gpu</I> or <I>cuda</I>. These refer to optional packages that
|
||||
LAMMPS can be built with, as described above in <A HREF = "#2_3">Section 2.3</A>.
|
||||
The "opt" style corrsponds to the OPT package, the "gpu" style to the
|
||||
GPU package, and the "cuda" style to the USER-CUDA package.
|
||||
</P>
|
||||
<P>As an example, all of the packages provide a <A HREF = "pair_lj.html">pair_style
|
||||
lj/cut</A> variant, with style names lj/cut/opt or
|
||||
lj/cut/gpu or lj/cut/cuda. Any variant styles can be specified
|
||||
explicitly in your input script, e.g. pair_style lj/cut/gpu. If the
|
||||
-suffix switch is used, you do not need to modify your input script.
|
||||
The specified suffix (opt,gpu,cuda) is automatically appended whenever
|
||||
an input script command creates a new atom, pair, fix, compute, or
|
||||
integrate style. If the variant version does not exist, the standard
|
||||
version is created.
|
||||
</P>
|
||||
<P>The <A HREF = "suffix.html">suffix</A> command can also set the suffix. It can also
|
||||
turn off/on the suffix associated with this command-line switch.
|
||||
</P>
|
||||
<P>Alter settings for use of accelerated versions of various styles.
|
||||
LAMMPS can be built with optional packages which provide accelerated
|
||||
versions of specific <A HREF = "atom_style.html">atom</A>, <A HREF = "pair_style.html">pair</A>,
|
||||
|
|
@ -66,22 +80,11 @@ be useful for performance testing or debugging.
|
|||
command-line switch is effectively turned off until another
|
||||
accelerator command is used with the <I>on</I> style.
|
||||
</P>
|
||||
<P>The <I>cuda</I> style invokes options associated with the use of the
|
||||
USER-CUDA package. These will be described when the USER-CUDA package
|
||||
is released with LAMMPS.
|
||||
</P>
|
||||
<P><B>Restrictions:</B>
|
||||
</P>
|
||||
<P>This cuda style can only be invoked if LAMMPS was built with the
|
||||
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
|
||||
and use LAMMPS with either the GPU or USER_CUDA packages.
|
||||
<P><B>Restrictions:</B> none
|
||||
</P>
|
||||
<P><B>Related commands:</B>
|
||||
</P>
|
||||
<P><A HREF = "fix_gpu.html">fix gpu</A>
|
||||
<P><A HREF = "Section_start.html_2_6">Command-line switch -suffix</A>
|
||||
</P>
|
||||
<P><B>Default:</B> none
|
||||
</P>
|
||||
|
|
@ -6,27 +6,46 @@
|
|||
|
||||
:line
|
||||
|
||||
accelerator command :h3
|
||||
suffix command :h3
|
||||
|
||||
[Syntax:]
|
||||
|
||||
accelerator style args :pre
|
||||
suffix style :pre
|
||||
|
||||
style = {off} or {on} or {cuda} :ulb,l
|
||||
args = 0 or more args specific to the style :l
|
||||
{off} args = none
|
||||
{on} args = none
|
||||
{cuda} args = to be determined :pre
|
||||
:ule
|
||||
style = {off} or {on} or {opt} or {gpu} or {cuda} :ul
|
||||
|
||||
[Examples:]
|
||||
|
||||
accelerator off
|
||||
accelerator on
|
||||
accelerator cuda blah :pre
|
||||
suffix off
|
||||
suffix on
|
||||
suffix gpu :pre
|
||||
|
||||
[Description:]
|
||||
|
||||
This command allows you to set a suffix which will
|
||||
be added
|
||||
|
||||
Use variants of various styles if they exist. The specified style can
|
||||
be {opt} or {gpu} or {cuda}. These refer to optional packages that
|
||||
LAMMPS can be built with, as described above in "Section 2.3"_#2_3.
|
||||
The "opt" style corrsponds to the OPT package, the "gpu" style to the
|
||||
GPU package, and the "cuda" style to the USER-CUDA package.
|
||||
|
||||
As an example, all of the packages provide a "pair_style
|
||||
lj/cut"_pair_lj.html variant, with style names lj/cut/opt or
|
||||
lj/cut/gpu or lj/cut/cuda. Any variant styles can be specified
|
||||
explicitly in your input script, e.g. pair_style lj/cut/gpu. If the
|
||||
-suffix switch is used, you do not need to modify your input script.
|
||||
The specified suffix (opt,gpu,cuda) is automatically appended whenever
|
||||
an input script command creates a new atom, pair, fix, compute, or
|
||||
integrate style. If the variant version does not exist, the standard
|
||||
version is created.
|
||||
|
||||
The "suffix"_suffix.html command can also set the suffix. It can also
|
||||
turn off/on the suffix associated with this command-line switch.
|
||||
|
||||
|
||||
|
||||
Alter settings for use of accelerated versions of various styles.
|
||||
LAMMPS can be built with optional packages which provide accelerated
|
||||
versions of specific "atom"_atom_style.html, "pair"_pair_style.html,
|
||||
|
|
@ -60,21 +79,10 @@ The {off} style allows you to do this. The effect of the -accelerator
|
|||
command-line switch is effectively turned off until another
|
||||
accelerator command is used with the {on} style.
|
||||
|
||||
The {cuda} style invokes options associated with the use of the
|
||||
USER-CUDA package. These will be described when the USER-CUDA package
|
||||
is released with LAMMPS.
|
||||
|
||||
[Restrictions:]
|
||||
|
||||
This cuda style can only be invoked if LAMMPS was built with the
|
||||
USER-CUDA package. See the "Making LAMMPS"_Section_start.html#2_3
|
||||
section for more info.
|
||||
|
||||
Obviously, you must have GPU hardware and associated software to build
|
||||
and use LAMMPS with either the GPU or USER_CUDA packages.
|
||||
[Restrictions:] none
|
||||
|
||||
[Related commands:]
|
||||
|
||||
"fix gpu"_fix_gpu.html
|
||||
"Command-line switch -suffix"_Section_start.html_2_6
|
||||
|
||||
[Default:] none
|
||||
Loading…
Reference in New Issue