1.. index:: suffix 2 3suffix command 4============== 5 6Syntax 7"""""" 8 9.. parsed-literal:: 10 11 suffix style args 12 13* style = *off* or *on* or *gpu* or *intel* or *kk* or *omp* or *opt* or *hybrid* 14* args = for hybrid style, default suffix to be used and alternative suffix 15 16Examples 17"""""""" 18 19.. code-block:: LAMMPS 20 21 suffix off 22 suffix on 23 suffix gpu 24 suffix intel 25 suffix hybrid intel omp 26 suffix kk 27 28Description 29""""""""""" 30 31This command allows you to use variants of various styles if they 32exist. In that respect it operates the same as the :doc:`-suffix command-line switch <Run_options>`. It also has options to turn 33off or back on any suffix setting made via the command line. 34 35The specified style can be *gpu*, *intel*, *kk*, *omp*, *opt* or 36*hybrid*\ . These refer to optional packages that LAMMPS can be built 37with, as described on the :doc:`Build package <Build_package>` doc page. 38The "gpu" style corresponds to the GPU package, the "intel" style to 39the INTEL package, the "kk" style to the KOKKOS package, the 40"omp" style to the OPENMP package, and the "opt" style to the OPT 41package. 42 43These are the variants these packages provide: 44 45* GPU = a handful of pair styles and the PPPM kspace_style, optimized to 46 run on one or more GPUs or multicore CPU/GPU nodes 47* INTEL = a collection of pair styles and neighbor routines 48 optimized to run in single, mixed, or double precision on CPUs and 49 Intel(R) Xeon Phi(TM) co-processors. 50* KOKKOS = a collection of atom, pair, and fix styles optimized to run 51 using the Kokkos library on various kinds of hardware, including GPUs 52 via CUDA and many-core chips via OpenMP or threading. 53* OPENMP = a collection of pair, bond, angle, dihedral, improper, 54 kspace, compute, and fix styles with support for OpenMP 55 multi-threading 56* OPT = a handful of pair styles, cache-optimized for faster CPU 57 performance 58* HYBRID = a combination of two packages can be specified (see below) 59 60As an example, all of the packages provide a :doc:`pair_style lj/cut <pair_lj>` variant, with style names lj/cut/opt, lj/cut/omp, 61lj/cut/gpu, lj/cut/intel, or lj/cut/kk. A variant styles 62can be specified explicitly in your input script, e.g. pair_style 63lj/cut/gpu. If the suffix command is used with the appropriate style, 64you do not need to modify your input script. The specified suffix 65(opt,omp,gpu,intel,kk) is automatically appended whenever your 66input script command creates a new :doc:`atom <atom_style>`, 67:doc:`pair <pair_style>`, :doc:`bond <bond_style>`, 68:doc:`angle <angle_style>`, :doc:`dihedral <dihedral_style>`, 69:doc:`improper <improper_style>`, :doc:`kspace <kspace_style>`, 70:doc:`fix <fix>`, :doc:`compute <compute>`, or :doc:`run <run_style>` style. 71If the variant version does not exist, the standard version is 72created. 73 74For "hybrid", two packages are specified. The first is used whenever 75available. If a style with the first suffix is not available, the style 76with the suffix for the second package will be used if available. For 77example, "hybrid intel omp" will use styles from the INTEL package 78as a first choice and styles from the OPENMP package as a second choice 79if no INTEL variant is available. 80 81If the specified style is *off*, then any previously specified suffix 82is temporarily disabled, whether it was specified by a command-line 83switch or a previous suffix command. If the specified style is *on*, 84a disabled suffix is turned back on. The use of these 2 commands lets 85your input script use a standard LAMMPS style (i.e. a non-accelerated 86variant), which can be useful for testing or benchmarking purposes. 87Of course this is also possible by not using any suffix commands, and 88explicitly appending or not appending the suffix to the relevant 89commands in your input script. 90 91.. note:: 92 93 The default :doc:`run_style <run_style>` verlet is invoked prior to 94 reading the input script and is therefore not affected by a suffix command 95 in the input script. The KOKKOS package requires "run_style verlet/kk", 96 so when using the KOKKOS package it is necessary to either use the command 97 line "-sf kk" command or add an explicit "run_style verlet" command to the 98 input script. 99 100Restrictions 101"""""""""""" 102 none 103 104Related commands 105"""""""""""""""" 106 107:doc:`-suffix command-line switch <Run_options>` 108 109Default 110""""""" 111 112none 113