forked from lijiext/lammps
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6195 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
sjplimp
parent
f7eefa416e
commit
91b6d45b53
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@ -311,19 +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 = "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 = "pair_coeff.html">pair_coeff</A></TD></TR>
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<TR ALIGN="center"><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><TD ><A HREF = "processors.html">processors</A></TD></TR>
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<TR ALIGN="center"><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><TD ><A HREF = "restart.html">restart</A></TD></TR>
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<TR ALIGN="center"><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><TD ><A HREF = "tad.html">tad</A></TD></TR>
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<TR ALIGN="center"><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><TD ><A HREF = "uncompute.html">uncompute</A></TD></TR>
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<TR ALIGN="center"><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><TD ><A HREF = "write_restart.html">write_restart</A>
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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 = "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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</TD></TR></TABLE></DIV>
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<HR>
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@ -336,14 +337,15 @@ of each style or click on the style itself for a full description:
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<DIV ALIGN=center><TABLE BORDER=1 >
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<TR ALIGN="center"><TD ><A HREF = "fix_adapt.html">adapt</A></TD><TD ><A HREF = "fix_addforce.html">addforce</A></TD><TD ><A HREF = "fix_aveforce.html">aveforce</A></TD><TD ><A HREF = "fix_ave_atom.html">ave/atom</A></TD><TD ><A HREF = "fix_ave_correlate.html">ave/correlate</A></TD><TD ><A HREF = "fix_ave_histo.html">ave/histo</A></TD><TD ><A HREF = "fix_ave_spatial.html">ave/spatial</A></TD><TD ><A HREF = "fix_ave_time.html">ave/time</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "fix_bond_break.html">bond/break</A></TD><TD ><A HREF = "fix_bond_create.html">bond/create</A></TD><TD ><A HREF = "fix_bond_swap.html">bond/swap</A></TD><TD ><A HREF = "fix_box_relax.html">box/relax</A></TD><TD ><A HREF = "fix_deform.html">deform</A></TD><TD ><A HREF = "fix_deposit.html">deposit</A></TD><TD ><A HREF = "fix_drag.html">drag</A></TD><TD ><A HREF = "fix_dt_reset.html">dt/reset</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "fix_efield.html">efield</A></TD><TD ><A HREF = "fix_enforce2d.html">enforce2d</A></TD><TD ><A HREF = "fix_evaporate.html">evaporate</A></TD><TD ><A HREF = "fix_external.html">external</A></TD><TD ><A HREF = "fix_freeze.html">freeze</A></TD><TD ><A HREF = "fix_gravity.html">gravity</A></TD><TD ><A HREF = "fix_heat.html">heat</A></TD><TD ><A HREF = "fix_indent.html">indent</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "fix_langevin.html">langevin</A></TD><TD ><A HREF = "fix_lineforce.html">lineforce</A></TD><TD ><A HREF = "fix_momentum.html">momentum</A></TD><TD ><A HREF = "fix_move.html">move</A></TD><TD ><A HREF = "fix_msst.html">msst</A></TD><TD ><A HREF = "fix_neb.html">neb</A></TD><TD ><A HREF = "fix_nh.html">nph</A></TD><TD ><A HREF = "fix_nph_asphere.html">nph/asphere</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "fix_nph_sphere.html">nph/sphere</A></TD><TD ><A HREF = "fix_nh.html">npt</A></TD><TD ><A HREF = "fix_npt_asphere.html">npt/asphere</A></TD><TD ><A HREF = "fix_npt_sphere.html">npt/sphere</A></TD><TD ><A HREF = "fix_nve.html">nve</A></TD><TD ><A HREF = "fix_nve_asphere.html">nve/asphere</A></TD><TD ><A HREF = "fix_nve_limit.html">nve/limit</A></TD><TD ><A HREF = "fix_nve_noforce.html">nve/noforce</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "fix_nve_sphere.html">nve/sphere</A></TD><TD ><A HREF = "fix_nh.html">nvt</A></TD><TD ><A HREF = "fix_nvt_asphere.html">nvt/asphere</A></TD><TD ><A HREF = "fix_nvt_sllod.html">nvt/sllod</A></TD><TD ><A HREF = "fix_nvt_sphere.html">nvt/sphere</A></TD><TD ><A HREF = "fix_orient_fcc.html">orient/fcc</A></TD><TD ><A HREF = "fix_planeforce.html">planeforce</A></TD><TD ><A HREF = "fix_poems.html">poems</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "fix_pour.html">pour</A></TD><TD ><A HREF = "fix_press_berendsen.html">press/berendsen</A></TD><TD ><A HREF = "fix_print.html">print</A></TD><TD ><A HREF = "fix_qeq_comb.html">qeq/comb</A></TD><TD ><A HREF = "fix_reax_bonds.html">reax/bonds</A></TD><TD ><A HREF = "fix_recenter.html">recenter</A></TD><TD ><A HREF = "fix_rigid.html">rigid</A></TD><TD ><A HREF = "fix_rigid.html">rigid/nve</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "fix_rigid.html">rigid/nvt</A></TD><TD ><A HREF = "fix_setforce.html">setforce</A></TD><TD ><A HREF = "fix_shake.html">shake</A></TD><TD ><A HREF = "fix_spring.html">spring</A></TD><TD ><A HREF = "fix_spring_rg.html">spring/rg</A></TD><TD ><A HREF = "fix_spring_self.html">spring/self</A></TD><TD ><A HREF = "fix_srd.html">srd</A></TD><TD ><A HREF = "fix_store_force.html">store/force</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "fix_store_state.html">store/state</A></TD><TD ><A HREF = "fix_temp_berendsen.html">temp/berendsen</A></TD><TD ><A HREF = "fix_temp_rescale.html">temp/rescale</A></TD><TD ><A HREF = "fix_thermal_conductivity.html">thermal/conductivity</A></TD><TD ><A HREF = "fix_tmd.html">tmd</A></TD><TD ><A HREF = "fix_ttm.html">ttm</A></TD><TD ><A HREF = "fix_viscosity.html">viscosity</A></TD><TD ><A HREF = "fix_viscous.html">viscous</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "fix_wall.html">wall/colloid</A></TD><TD ><A HREF = "fix_wall_gran.html">wall/gran</A></TD><TD ><A HREF = "fix_wall.html">wall/harmonic</A></TD><TD ><A HREF = "fix_wall.html">wall/lj126</A></TD><TD ><A HREF = "fix_wall.html">wall/lj93</A></TD><TD ><A HREF = "fix_wall_reflect.html">wall/reflect</A></TD><TD ><A HREF = "fix_wall_region.html">wall/region</A></TD><TD ><A HREF = "fix_wall_srd.html">wall/srd</A>
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<TR ALIGN="center"><TD ><A HREF = "fix_efield.html">efield</A></TD><TD ><A HREF = "fix_enforce2d.html">enforce2d</A></TD><TD ><A HREF = "fix_evaporate.html">evaporate</A></TD><TD ><A HREF = "fix_external.html">external</A></TD><TD ><A HREF = "fix_freeze.html">freeze</A></TD><TD ><A HREF = "fix_gpu.html">gpu</A></TD><TD ><A HREF = "fix_gravity.html">gravity</A></TD><TD ><A HREF = "fix_heat.html">heat</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "fix_indent.html">indent</A></TD><TD ><A HREF = "fix_langevin.html">langevin</A></TD><TD ><A HREF = "fix_lineforce.html">lineforce</A></TD><TD ><A HREF = "fix_momentum.html">momentum</A></TD><TD ><A HREF = "fix_move.html">move</A></TD><TD ><A HREF = "fix_msst.html">msst</A></TD><TD ><A HREF = "fix_neb.html">neb</A></TD><TD ><A HREF = "fix_nh.html">nph</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "fix_nph_asphere.html">nph/asphere</A></TD><TD ><A HREF = "fix_nph_sphere.html">nph/sphere</A></TD><TD ><A HREF = "fix_nh.html">npt</A></TD><TD ><A HREF = "fix_npt_asphere.html">npt/asphere</A></TD><TD ><A HREF = "fix_npt_sphere.html">npt/sphere</A></TD><TD ><A HREF = "fix_nve.html">nve</A></TD><TD ><A HREF = "fix_nve_asphere.html">nve/asphere</A></TD><TD ><A HREF = "fix_nve_limit.html">nve/limit</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "fix_nve_noforce.html">nve/noforce</A></TD><TD ><A HREF = "fix_nve_sphere.html">nve/sphere</A></TD><TD ><A HREF = "fix_nh.html">nvt</A></TD><TD ><A HREF = "fix_nvt_asphere.html">nvt/asphere</A></TD><TD ><A HREF = "fix_nvt_sllod.html">nvt/sllod</A></TD><TD ><A HREF = "fix_nvt_sphere.html">nvt/sphere</A></TD><TD ><A HREF = "fix_orient_fcc.html">orient/fcc</A></TD><TD ><A HREF = "fix_planeforce.html">planeforce</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "fix_poems.html">poems</A></TD><TD ><A HREF = "fix_pour.html">pour</A></TD><TD ><A HREF = "fix_press_berendsen.html">press/berendsen</A></TD><TD ><A HREF = "fix_print.html">print</A></TD><TD ><A HREF = "fix_qeq_comb.html">qeq/comb</A></TD><TD ><A HREF = "fix_reax_bonds.html">reax/bonds</A></TD><TD ><A HREF = "fix_recenter.html">recenter</A></TD><TD ><A HREF = "fix_rigid.html">rigid</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "fix_rigid.html">rigid/nve</A></TD><TD ><A HREF = "fix_rigid.html">rigid/nvt</A></TD><TD ><A HREF = "fix_setforce.html">setforce</A></TD><TD ><A HREF = "fix_shake.html">shake</A></TD><TD ><A HREF = "fix_spring.html">spring</A></TD><TD ><A HREF = "fix_spring_rg.html">spring/rg</A></TD><TD ><A HREF = "fix_spring_self.html">spring/self</A></TD><TD ><A HREF = "fix_srd.html">srd</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "fix_store_force.html">store/force</A></TD><TD ><A HREF = "fix_store_state.html">store/state</A></TD><TD ><A HREF = "fix_temp_berendsen.html">temp/berendsen</A></TD><TD ><A HREF = "fix_temp_rescale.html">temp/rescale</A></TD><TD ><A HREF = "fix_thermal_conductivity.html">thermal/conductivity</A></TD><TD ><A HREF = "fix_tmd.html">tmd</A></TD><TD ><A HREF = "fix_ttm.html">ttm</A></TD><TD ><A HREF = "fix_viscosity.html">viscosity</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "fix_viscous.html">viscous</A></TD><TD ><A HREF = "fix_wall.html">wall/colloid</A></TD><TD ><A HREF = "fix_wall_gran.html">wall/gran</A></TD><TD ><A HREF = "fix_wall.html">wall/harmonic</A></TD><TD ><A HREF = "fix_wall.html">wall/lj126</A></TD><TD ><A HREF = "fix_wall.html">wall/lj93</A></TD><TD ><A HREF = "fix_wall_reflect.html">wall/reflect</A></TD><TD ><A HREF = "fix_wall_region.html">wall/region</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "fix_wall_srd.html">wall/srd</A>
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</TD></TR></TABLE></DIV>
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<P>These are fix styles contributed by users, which can be used if
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@ -307,6 +307,7 @@ 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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@ -414,6 +415,7 @@ of each style or click on the style itself for a full description:
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"evaporate"_fix_evaporate.html,
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"external"_fix_external.html,
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"freeze"_fix_freeze.html,
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"gpu"_fix_gpu.html,
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"gravity"_fix_gravity.html,
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"heat"_fix_heat.html,
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"indent"_fix_indent.html,
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@ -787,7 +787,8 @@ more processors or setup a smaller problem.
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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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</P>
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<UL><LI>-echo or -e
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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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|
|
@ -800,6 +801,25 @@ one-letter abbreviation can be used:
|
|||
</PRE>
|
||||
<P>Here are the details on the options:
|
||||
</P>
|
||||
<PRE>-accelerator style
|
||||
</PRE>
|
||||
<P>Use accelerated variants of various styles if they exist. The style
|
||||
can be <I>opt</I> or <I>gpu</I> or <I>cuda</I>. The variant styles are part of
|
||||
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. For example, all of the packages provide a
|
||||
<A HREF = "pair_lj.html">pair_style lj/cut</A> variant, with styles lj/cut/opt or
|
||||
lj/cut/gpu or lj/cut/cuda. These styles can be specified explicitly
|
||||
in your input script, e.g. pair_style lj/cut/gpu. But 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. The suffix is applied to atom,
|
||||
pair, fix, compute, and integrate styles. If an accelerated version
|
||||
does not exist, the standard version is created. See the
|
||||
<A HREF = "accelerator.html">accelerator</A> command for info on how to turn off
|
||||
this option.
|
||||
</P>
|
||||
<PRE>-echo style
|
||||
</PRE>
|
||||
<P>Set the style of command echoing. The style can be <I>none</I> or <I>screen</I>
|
||||
|
|
|
|||
|
|
@ -777,6 +777,7 @@ At run time, LAMMPS recognizes several optional command-line switches
|
|||
which may be used in any order. Either the full word or the
|
||||
one-letter abbreviation can be used:
|
||||
|
||||
-accelerator or -a
|
||||
-echo or -e
|
||||
-partition or -p
|
||||
-in or -i
|
||||
|
|
@ -790,6 +791,25 @@ 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
|
||||
|
||||
Use accelerated variants of various styles if they exist. The style
|
||||
can be {opt} or {gpu} or {cuda}. The variant styles are part of
|
||||
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. For example, all of the packages provide a
|
||||
"pair_style lj/cut"_pair_lj.html variant, with styles lj/cut/opt or
|
||||
lj/cut/gpu or lj/cut/cuda. These styles can be specified explicitly
|
||||
in your input script, e.g. pair_style lj/cut/gpu. But 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. The suffix is applied to atom,
|
||||
pair, fix, compute, and integrate styles. If an accelerated version
|
||||
does not exist, the standard version is created. See the
|
||||
"accelerator"_accelerator.html command for info on how to turn off
|
||||
this option.
|
||||
|
||||
-echo style :pre
|
||||
|
||||
Set the style of command echoing. The style can be {none} or {screen}
|
||||
|
|
|
|||
|
|
@ -45,39 +45,38 @@ specified for a run or an error will be generated. The fix will not have an
|
|||
effect on any LAMMPS computations that do not use GPU acceleration, so there
|
||||
should not be any problems with specifying this fix first in input scripts.
|
||||
</P>
|
||||
<P><I>mode</I> specifies where neighbor list calculations will be performed.
|
||||
If <I>mode</I> is force, neighbor list calculation is performed on the
|
||||
CPU. If <I>mode</I> is force/neigh, neighbor list calculation is
|
||||
performed on the GPU. GPU neighbor list calculation currently cannot be
|
||||
used with a triclinic box. GPU neighbor list calculation currently
|
||||
cannot be used with <A HREF = "pair_hybrid.html">hybrid</A> pair styles.
|
||||
GPU neighbor lists are not compatible with styles that are not GPU-enabled.
|
||||
When a non-GPU enabled style requires a neighbor list, it will also be
|
||||
built using CPU routines. In these cases, it will typically be more efficient
|
||||
to only use CPU neighbor list builds.
|
||||
<P>The <I>mode</I> setting specifies where neighbor list calculations will be
|
||||
performed. If <I>mode</I> is force, neighbor list calculation is performed
|
||||
on the CPU. If <I>mode</I> is force/neigh, neighbor list calculation is
|
||||
performed on the GPU. GPU neighbor list calculation currently cannot
|
||||
be used with a triclinic box. GPU neighbor list calculation currently
|
||||
cannot be used with <A HREF = "pair_hybrid.html">hybrid</A> pair styles. GPU
|
||||
neighbor lists are not compatible with styles that are not
|
||||
GPU-enabled. When a non-GPU enabled style requires a neighbor list,
|
||||
it will also be built using CPU routines. In these cases, it will
|
||||
typically be more efficient to only use CPU neighbor list builds.
|
||||
</P>
|
||||
<P><I>first</I> and <I>last</I> specify the GPUs that will be used for simulation.
|
||||
On each node, the GPU IDs in the inclusive range from <I>first</I> to <I>last</I> will
|
||||
be used.
|
||||
<P>The <I>first</I> and <I>last</I> settings specify the GPUs that will be used for
|
||||
simulation. On each node, the GPU IDs in the inclusive range from
|
||||
<I>first</I> to <I>last</I> will be used.
|
||||
</P>
|
||||
<P><I>split</I> can be used for load balancing force calculation work between
|
||||
CPU and GPU cores in GPU-enabled pair styles. If 0<<I>split</I><1.0,
|
||||
a fixed fraction of particles is offloaded to the GPU while force calculation
|
||||
for the other particles occurs simulataneously on the CPU. If <I>split</I><0,
|
||||
the optimal fraction (based on CPU and GPU timings) is calculated
|
||||
every 25 timesteps. If <I>split</I>=1.0, all force calculations for
|
||||
GPU accelerated pair styles are performed
|
||||
on the GPU. In this case, <A HREF = "pair_hybrid.html">hybrid</A>,
|
||||
<A HREF = "bond_style.html">bond</A>, <A HREF = "angle_style.html">angle</A>,
|
||||
<A HREF = "dihedral_style.html">dihedral</A>, <A HREF = "improper_style.html">improper</A>,
|
||||
and <A HREF = "kspace_style.html">long-range</A> calculations can be performed on the CPU
|
||||
while the GPU is performing force calculations for the GPU-enabled pair
|
||||
style.
|
||||
<P>The <I>split</I> setting can be used for load balancing force calculation
|
||||
work between CPU and GPU cores in GPU-enabled pair styles. If
|
||||
0<<I>split</I><1.0, a fixed fraction of particles is offloaded to the GPU
|
||||
while force calculation for the other particles occurs simulataneously
|
||||
on the CPU. If <I>split</I><0, the optimal fraction (based on CPU and GPU
|
||||
timings) is calculated every 25 timesteps. If <I>split</I>=1.0, all force
|
||||
calculations for GPU accelerated pair styles are performed on the
|
||||
GPU. In this case, <A HREF = "pair_hybrid.html">hybrid</A>, <A HREF = "bond_style.html">bond</A>,
|
||||
<A HREF = "angle_style.html">angle</A>, <A HREF = "dihedral_style.html">dihedral</A>,
|
||||
<A HREF = "improper_style.html">improper</A>, and <A HREF = "kspace_style.html">long-range</A>
|
||||
calculations can be performed on the CPU while the GPU is performing
|
||||
force calculations for the GPU-enabled pair style.
|
||||
</P>
|
||||
<P>In order to use GPU acceleration, a GPU enabled style must be
|
||||
selected in the input script in addition to this fix. Currently,
|
||||
this is limited to a few <A HREF = "pair_style.html">pair styles</A> and
|
||||
the PPPM <A HREF = "kspace_style.html">kspace style</A>.
|
||||
<P>In order to use GPU acceleration, a GPU enabled style must be selected
|
||||
in the input script in addition to this fix. Currently, this is
|
||||
limited to a few <A HREF = "pair_style.html">pair styles</A> and the PPPM <A HREF = "kspace_style.html">kspace
|
||||
style</A>.
|
||||
</P>
|
||||
<P>More details about these settings and various possible hardware
|
||||
configuration are in <A HREF = "Section_start.html#2_8">this section</A> of the
|
||||
|
|
@ -85,6 +84,10 @@ manual.
|
|||
</P>
|
||||
<P><B>Restart, fix_modify, output, run start/stop, minimize info:</B>
|
||||
</P>
|
||||
<P>This fix is part of the "gpu" package. It is only enabled if LAMMPS
|
||||
was built with that package. See the <A HREF = "Section_start.html#2_3">Making
|
||||
LAMMPS</A> section for more info.
|
||||
</P>
|
||||
<P>No information about this fix is written to <A HREF = "restart.html">binary restart
|
||||
files</A>. None of the <A HREF = "fix_modify.html">fix_modify</A> options
|
||||
are relevant to this fix.
|
||||
|
|
@ -98,7 +101,8 @@ the <A HREF = "run.html">run</A> command.
|
|||
<I>mode</I> should not be used with a triclinic box or <A HREF = "pair_hybrid.html">hybrid</A>
|
||||
pair styles.
|
||||
</P>
|
||||
<P><I>split</I> must be positive when using <A HREF = "pair_hybrid.html">hybrid</A> pair styles.
|
||||
<P>The <I>split</I> setting must be positive when using
|
||||
<A HREF = "pair_hybrid.html">hybrid</A> pair styles.
|
||||
</P>
|
||||
<P>Currently, group-ID must be all.
|
||||
</P>
|
||||
|
|
|
|||
|
|
@ -36,39 +36,38 @@ specified for a run or an error will be generated. The fix will not have an
|
|||
effect on any LAMMPS computations that do not use GPU acceleration, so there
|
||||
should not be any problems with specifying this fix first in input scripts.
|
||||
|
||||
{mode} specifies where neighbor list calculations will be performed.
|
||||
If {mode} is force, neighbor list calculation is performed on the
|
||||
CPU. If {mode} is force/neigh, neighbor list calculation is
|
||||
performed on the GPU. GPU neighbor list calculation currently cannot be
|
||||
used with a triclinic box. GPU neighbor list calculation currently
|
||||
cannot be used with "hybrid"_pair_hybrid.html pair styles.
|
||||
GPU neighbor lists are not compatible with styles that are not GPU-enabled.
|
||||
When a non-GPU enabled style requires a neighbor list, it will also be
|
||||
built using CPU routines. In these cases, it will typically be more efficient
|
||||
to only use CPU neighbor list builds.
|
||||
The {mode} setting specifies where neighbor list calculations will be
|
||||
performed. If {mode} is force, neighbor list calculation is performed
|
||||
on the CPU. If {mode} is force/neigh, neighbor list calculation is
|
||||
performed on the GPU. GPU neighbor list calculation currently cannot
|
||||
be used with a triclinic box. GPU neighbor list calculation currently
|
||||
cannot be used with "hybrid"_pair_hybrid.html pair styles. GPU
|
||||
neighbor lists are not compatible with styles that are not
|
||||
GPU-enabled. When a non-GPU enabled style requires a neighbor list,
|
||||
it will also be built using CPU routines. In these cases, it will
|
||||
typically be more efficient to only use CPU neighbor list builds.
|
||||
|
||||
{first} and {last} specify the GPUs that will be used for simulation.
|
||||
On each node, the GPU IDs in the inclusive range from {first} to {last} will
|
||||
be used.
|
||||
The {first} and {last} settings specify the GPUs that will be used for
|
||||
simulation. On each node, the GPU IDs in the inclusive range from
|
||||
{first} to {last} will be used.
|
||||
|
||||
{split} can be used for load balancing force calculation work between
|
||||
CPU and GPU cores in GPU-enabled pair styles. If 0<{split}<1.0,
|
||||
a fixed fraction of particles is offloaded to the GPU while force calculation
|
||||
for the other particles occurs simulataneously on the CPU. If {split}<0,
|
||||
the optimal fraction (based on CPU and GPU timings) is calculated
|
||||
every 25 timesteps. If {split}=1.0, all force calculations for
|
||||
GPU accelerated pair styles are performed
|
||||
on the GPU. In this case, "hybrid"_pair_hybrid.html,
|
||||
"bond"_bond_style.html, "angle"_angle_style.html,
|
||||
"dihedral"_dihedral_style.html, "improper"_improper_style.html,
|
||||
and "long-range"_kspace_style.html calculations can be performed on the CPU
|
||||
while the GPU is performing force calculations for the GPU-enabled pair
|
||||
style.
|
||||
The {split} setting can be used for load balancing force calculation
|
||||
work between CPU and GPU cores in GPU-enabled pair styles. If
|
||||
0<{split}<1.0, a fixed fraction of particles is offloaded to the GPU
|
||||
while force calculation for the other particles occurs simulataneously
|
||||
on the CPU. If {split}<0, the optimal fraction (based on CPU and GPU
|
||||
timings) is calculated every 25 timesteps. If {split}=1.0, all force
|
||||
calculations for GPU accelerated pair styles are performed on the
|
||||
GPU. In this case, "hybrid"_pair_hybrid.html, "bond"_bond_style.html,
|
||||
"angle"_angle_style.html, "dihedral"_dihedral_style.html,
|
||||
"improper"_improper_style.html, and "long-range"_kspace_style.html
|
||||
calculations can be performed on the CPU while the GPU is performing
|
||||
force calculations for the GPU-enabled pair style.
|
||||
|
||||
In order to use GPU acceleration, a GPU enabled style must be
|
||||
selected in the input script in addition to this fix. Currently,
|
||||
this is limited to a few "pair styles"_pair_style.html and
|
||||
the PPPM "kspace style"_kspace_style.html.
|
||||
In order to use GPU acceleration, a GPU enabled style must be selected
|
||||
in the input script in addition to this fix. Currently, this is
|
||||
limited to a few "pair styles"_pair_style.html and the PPPM "kspace
|
||||
style"_kspace_style.html.
|
||||
|
||||
More details about these settings and various possible hardware
|
||||
configuration are in "this section"_Section_start.html#2_8 of the
|
||||
|
|
@ -76,6 +75,10 @@ manual.
|
|||
|
||||
[Restart, fix_modify, output, run start/stop, minimize info:]
|
||||
|
||||
This fix is part of the "gpu" package. It is only enabled if LAMMPS
|
||||
was built with that package. See the "Making
|
||||
LAMMPS"_Section_start.html#2_3 section for more info.
|
||||
|
||||
No information about this fix is written to "binary restart
|
||||
files"_restart.html. None of the "fix_modify"_fix_modify.html options
|
||||
are relevant to this fix.
|
||||
|
|
@ -89,7 +92,8 @@ The fix must be the first fix specified for a given run. The force/neigh
|
|||
{mode} should not be used with a triclinic box or "hybrid"_pair_hybrid.html
|
||||
pair styles.
|
||||
|
||||
{split} must be positive when using "hybrid"_pair_hybrid.html pair styles.
|
||||
The {split} setting must be positive when using
|
||||
"hybrid"_pair_hybrid.html pair styles.
|
||||
|
||||
Currently, group-ID must be all.
|
||||
|
||||
|
|
|
|||
Loading…
Reference in New Issue