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sjplimp
parent
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commit
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@ -1390,8 +1390,9 @@ steps:
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coprocessor case can be done using the "-pk omp" and "-sf intel" and
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"-pk intel" <A HREF = "Section_start.html#start_7">command-line switches</A>
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respectively. Or the effect of the "-pk" or "-sf" switches can be
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duplicated by adding the <A HREF = "package.html">package intel</A> or <A HREF = "suffix.html">suffix
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intel</A> commands respectively to your input script.
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duplicated by adding the <A HREF = "package.html">package omp</A> or <A HREF = "suffix.html">suffix
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intel</A> or <A HREF = "package.html">package intel</A> commands
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respectively to your input script.
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</P>
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<P><B>Required hardware/software:</B>
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</P>
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@ -1470,9 +1471,10 @@ maximum number of threads is also reduced.
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which will automatically append "intel" to styles that support it. If
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a style does not support it, a "omp" suffix is tried next. Use the
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"-pk omp Nt" <A HREF = "Section_start.html#start_7">command-line switch</A>, to set
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Nt = # of OpenMP threads per MPI task to use. Use the "-pk intel Nt
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Nphi" <A HREF = "Section_start.html#start_7">command-line switch</A> to set Nphi = #
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of Xeon Phi(TM) coprocessors/node.
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Nt = # of OpenMP threads per MPI task to use, if LAMMPS was built with
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the USER-OMP package. Use the "-pk intel Nt Nphi" <A HREF = "Section_start.html#start_7">command-line
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switch</A> to set Nphi = # of Xeon Phi(TM)
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coprocessors/node, if LAMMPS was built with coprocessor support.
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</P>
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<PRE>CPU-only without USER-OMP (but using Intel vectorization on CPU):
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lmp_machine -sf intel -in in.script # 1 MPI task
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@ -1494,8 +1496,9 @@ mpirun -np 32 -ppn 4 lmp_machine -sf intel -pk intel 4 2 tptask 120 -in in.scrip
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default commands: <A HREF = "package.html">package omp 0</A> and <A HREF = "package.html">package intel
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1</A> command. These set the number of OpenMP threads per
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MPI task via the OMP_NUM_THREADS environment variable, and the number
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of Xeon Phi(TM) coprocessors/node to 1. The latter is ignored is
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LAMMPS was not built with coprocessor support.
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of Xeon Phi(TM) coprocessors/node to 1. The former is ignored if
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LAMMPS was not built with the USER-OMP package. The latter is ignored
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is LAMMPS was not built with coprocessor support.
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</P>
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<P>Using the "-pk omp" switch explicitly allows for direct setting of the
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number of OpenMP threads per MPI task, and additional options. Using
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|
|
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@ -1385,8 +1385,9 @@ The latter two steps in the first case and the last step in the
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coprocessor case can be done using the "-pk omp" and "-sf intel" and
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"-pk intel" "command-line switches"_Section_start.html#start_7
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respectively. Or the effect of the "-pk" or "-sf" switches can be
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duplicated by adding the "package intel"_package.html or "suffix
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intel"_suffix.html commands respectively to your input script.
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duplicated by adding the "package omp"_package.html or "suffix
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intel"_suffix.html or "package intel"_package.html commands
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respectively to your input script.
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[Required hardware/software:]
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@ -1465,9 +1466,10 @@ Use the "-sf intel" "command-line switch"_Section_start.html#start_7,
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which will automatically append "intel" to styles that support it. If
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a style does not support it, a "omp" suffix is tried next. Use the
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"-pk omp Nt" "command-line switch"_Section_start.html#start_7, to set
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Nt = # of OpenMP threads per MPI task to use. Use the "-pk intel Nt
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Nphi" "command-line switch"_Section_start.html#start_7 to set Nphi = #
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of Xeon Phi(TM) coprocessors/node.
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Nt = # of OpenMP threads per MPI task to use, if LAMMPS was built with
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the USER-OMP package. Use the "-pk intel Nt Nphi" "command-line
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switch"_Section_start.html#start_7 to set Nphi = # of Xeon Phi(TM)
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coprocessors/node, if LAMMPS was built with coprocessor support.
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CPU-only without USER-OMP (but using Intel vectorization on CPU):
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lmp_machine -sf intel -in in.script # 1 MPI task
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@ -1489,8 +1491,9 @@ Note that if the "-sf intel" switch is used, it also issues two
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default commands: "package omp 0"_package.html and "package intel
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1"_package.html command. These set the number of OpenMP threads per
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MPI task via the OMP_NUM_THREADS environment variable, and the number
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of Xeon Phi(TM) coprocessors/node to 1. The latter is ignored is
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LAMMPS was not built with coprocessor support.
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of Xeon Phi(TM) coprocessors/node to 1. The former is ignored if
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LAMMPS was not built with the USER-OMP package. The latter is ignored
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is LAMMPS was not built with coprocessor support.
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Using the "-pk omp" switch explicitly allows for direct setting of the
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number of OpenMP threads per MPI task, and additional options. Using
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|
|
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172
doc/package.html
172
doc/package.html
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@ -50,20 +50,23 @@
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size = bin size for neighbor list construction (distance units)
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<I>device</I> value = device_type
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device_type = <I>kepler</I> or <I>fermi</I> or <I>cypress</I> or <I>generic</I>
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<I>intel</I> args = Nthreads precision keyword value ...
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Nthreads = # of OpenMP threads to associate with each MPI process on host
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precision = <I>single</I> or <I>mixed</I> or <I>double</I>
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keywords = <I>balance</I> or <I>offload_cards</I> or <I>offload_ghost</I> or <I>offload_tpc</I> or <I>offload_threads</I>
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<I>intel</I> args = NPhi keyword value ...
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Nphi = # of coprocessors per node
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zero or more keyword/value pairs may be appended
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keywords = <I>prec</I> or <I>balance</I> or <I>ghost</I> or <I>tpc</I> or <I>tptask</I>
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<I>prec</I> value = <I>single</I> or <I>mixed</I> or <I>double</I>
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single = perform force calculations in single precision
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mixed = perform force calculations in mixed precision
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double = perform force calculations in double precision
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<I>balance</I> value = split
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split = fraction of work to offload to coprocessor, -1 for dynamic
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<I>offload_cards</I> value = ncops
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ncops = number of coprocessors to use on each node
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<I>offload_ghost</I> value = offload_type
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offload_type = 1 to include ghost atoms for offload, 0 for local only
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<I>offload_tpc</I> value = tpc
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tpc = number of threads to use on each core of coprocessor
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<I>offload_threads</I> value = tptask
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tptask = max number of threads to use on coprocessor for each MPI task
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<I>ghost</I> value = <I>yes</I> or <I>no</I>
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yes = include ghost atoms for offload
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no = do not include ghost atoms for offload
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<I>tpc</I> value = Ntpc
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Ntpc = number of threads to use on each physical core of coprocessor
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<I>tptask</I> value = Ntptask
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Ntptask = max number of threads to use on coprocessor for each MPI task
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<I>kokkos</I> args = keyword value ...
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one or more keyword/value pairs may be appended
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keywords = <I>neigh</I> or <I>comm/exchange</I> or <I>comm/forward</I>
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@ -171,8 +174,8 @@ default value, it is usually not necessary to use this keyword.
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</P>
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<HR>
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<P>The <I>gpu</I> style invokes settings settings associated with the use of
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the GPU package.
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<P>The <I>gpu</I> style invokes settings associated with the use of the GPU
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package.
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</P>
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<P>The <I>Ngpu</I> argument sets the number of GPUs per node. There must be
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at least as many MPI tasks per node as GPUs, as set by the mpirun or
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@ -264,65 +267,64 @@ lib/gpu/Makefile that is used.
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</P>
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<HR>
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<P>The <I>intel</I> style invokes options associated with the use of the
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USER-INTEL package.
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<P>The <I>intel</I> style invokes settings associated with the use of the
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USER-INTEL package. All of its settings, except the <I>prec</I> keyword,
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are ignored if LAMMPS was not built with Xeon Phi coprocessor support,
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when building with the USER-INTEL package. All of its settings,
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including the <I>prec</I> keyword are applicable if LAMMPS was built with
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coprocessor support.
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</P>
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<P>The <I>Nthread</I> argument allows to one explicitly set the number of
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OpenMP threads to be allocated for each MPI process, An <I>Nthreads</I>
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value of '*' instructs LAMMPS to use whatever is the default for the
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given OpenMP environment. This is usually determined via the
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OMP_NUM_THREADS environment variable or the compiler runtime.
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<P>The <I>Nphi</I> argument sets the number of coprocessors per node.
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</P>
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<P>The <I>precision</I> argument determines the precision mode to use and can
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take values of <I>single</I> (intel styles use single precision for all
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calculations), <I>mixed</I> (intel styles use double precision for
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accumulation and storage of forces, torques, energies, and virial
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terms and single precision for everything else), or <I>double</I> (intel
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styles use double precision for all calculations).
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<P>Optional keyword/value pairs can also be specified. Each has a
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default value as listed below.
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</P>
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<P>Additional keyword-value pairs are available that are used to
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determine how work is offloaded to an Intel(R) coprocessor. If LAMMPS is
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built without offload support, these values are ignored. The
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additional settings are as follows:
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<P>The <I>prec</I> keyword argument determines the precision mode to use for
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computing pair style forces, either on the CPU or on the coprocessor,
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when using a USER-INTEL supported <A HREF = "pair_style.html">pair style</A>. It
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can take a value of <I>single</I>, <I>mixed</I> which is the default, or
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<I>double</I>. <I>Single</I> means single precision is used for the entire
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force calculation. <I>Mixed</I> means forces between a pair of atoms are
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computed in single precision, but accumulated and stored in double
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precision, including storage of forces, torques, energies, and virial
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quantities. <I>Double</I> means double precision is used for the entire
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force calculation.
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</P>
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<P>The <I>balance</I> setting is used to set the fraction of work offloaded to
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the coprocessor for an intel style (in the inclusive range 0.0 to
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1.0). While this fraction of work is running on the coprocessor, other
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calculations will run on the host, including neighbor and pair
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calculations that are not offloaded, angle, bond, dihedral, kspace,
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and some MPI communications. If the balance is set to -1, the fraction
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of work is dynamically adjusted automatically throughout the run. This
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can typically give performance within 5 to 10 percent of the optimal
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fixed fraction.
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<P>The <I>balance</I> keyword sets the fraction of <A HREF = "pair_style.html">pair
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style</A> work offloaded to the coprocessor style for
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split values between 0.0 and 1.0 inclusive. While this fraction of
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work is running on the coprocessor, other calculations will run on the
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host, including neighbor and pair calculations that are not offloaded,
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angle, bond, dihedral, kspace, and some MPI communications. If
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<I>split</I> is set to -1, the fraction of work is dynamically adjusted
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automatically throughout the run. This typically give performance
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within 5 to 10 percent of the optimal fixed fraction.
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</P>
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<P>The <I>offload_cards</I> setting determines the number of coprocessors to
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use on each node.
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</P>
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<P>Additional options for fine tuning performance with offload are as
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follows:
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</P>
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<P>The <I>offload_ghost</I> setting determines whether or not ghost atoms,
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atoms at the borders between MPI tasks, are offloaded for neighbor and
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force calculations. When set to "0", ghost atoms are not offloaded.
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This option can reduce the amount of data transfer with the
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coprocessor and also can overlap MPI communication of forces with
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<P>The <I>ghost</I> keyword determines whether or not ghost atoms, i.e. atoms
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at the boundaries of proessor sub-domains, are offloaded for neighbor
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and force calculations. When the value = "no", ghost atoms are not
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offloaded. This option can reduce the amount of data transfer with
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the coprocessor and can also overlap MPI communication of forces with
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computation on the coprocessor when the <A HREF = "newton.html">newton pair</A>
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setting is "on". When set to "1", ghost atoms are offloaded. In some
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cases this can provide better performance, especially if the offload
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fraction is high.
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setting is "on". When the value = "ues", ghost atoms are offloaded.
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In some cases this can provide better performance, especially if the
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<I>balance</I> fraction is high.
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</P>
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<P>The <I>offload_tpc</I> option sets the maximum number of threads that will
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run on each core of the coprocessor.
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<P>The <I>tpc</I> keyword sets the maximum # of threads <I>Ntpc</I> that will
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run on each physical core of the coprocessor. The default value is
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set to 4, which is the number of hardware threads per core supported
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by the current generation Xeon Phi chips.
|
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</P>
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<P>The <I>offload_threads</I> option sets the maximum number of threads that
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will be used on the coprocessor for each MPI task. This, along with
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the <I>offload_tpc</I> setting, are the only methods for changing the
|
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number of threads on the coprocessor. The OMP_NUM_THREADS keyword and
|
||||
<I>Nthreads</I> options are only used for threads on the host.
|
||||
<P>The <I>tptask</I> keyword sets the maximum # of threads (Ntptask</I> that will
|
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be used on the coprocessor for each MPI task. This, along with the
|
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<I>tpc</I> keyword setting, are the only methods for changing the number of
|
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threads used on the coprocessor. The default value is set to 240 =
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60*4, which is the maximum # of threads supported by an entire current
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generation Xeon Phi chip.
|
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</P>
|
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<HR>
|
||||
|
||||
<P>The <I>kokkos</I> style invokes options associated with the use of the
|
||||
<P>The <I>kokkos</I> style invokes settings associated with the use of the
|
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KOKKOS package.
|
||||
</P>
|
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<P>The <I>neigh</I> keyword determines what kinds of neighbor lists are built.
|
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|
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@ -466,35 +468,45 @@ setting</A>
|
|||
</P>
|
||||
<P><B>Default:</B>
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||||
</P>
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||||
<P>To use the USER-CUDA package, the package command must be invoked
|
||||
explicitly, either via the "-pk cuda" <A HREF = "Section_start.html#start_7">command-line
|
||||
switch</A> or by invoking the package cuda
|
||||
command in your input script. This will set the # of GPUs/node. The
|
||||
options defaults are gpuID = 0 to Ngpu-1, timing not enabled, test not
|
||||
enabled, and thread = auto.
|
||||
<P>To use the USER-CUDA package, the package cuda command must be invoked
|
||||
explicitly in your input script or via the "-pk cuda" <A HREF = "Section_start.html#start_7">command-line
|
||||
switch</A>. This will set the # of GPUs/node.
|
||||
The options defaults are gpuID = 0 to Ngpu-1, timing = not enabled,
|
||||
test = not enabled, and thread = auto.
|
||||
</P>
|
||||
<P>For the GPU package, the default is Ngpu = 1 and the option defaults
|
||||
are neigh = yes, split = 1.0, gpuID = 0 to Ngpu-1, tpa = 1, binsize =
|
||||
pair cutoff + neighbor skin, device = not used. These settings are
|
||||
made if the "-sf gpu" <A HREF = "Section_start.html#start_7">command-line switch</A>
|
||||
is used. If it is not used, you must invoke the package gpu command
|
||||
in your input script.
|
||||
made automatically if the "-sf gpu" <A HREF = "Section_start.html#start_7">command-line
|
||||
switch</A> is used. If it is not used, you
|
||||
must invoke the package gpu command in your input script or via the
|
||||
"-pk gpu" <A HREF = "Section_start.html#start_7">command-line switch</A>.
|
||||
</P>
|
||||
<P>The default settings for the USER-INTEL package are "package intel *
|
||||
mixed balance -1 offload_cards 1 offload_tpc 4 offload_threads 240".
|
||||
The <I>offload_ghost</I> default setting is determined by the intel style
|
||||
being used. The value used is output to the screen in the offload
|
||||
report at the end of each run.
|
||||
<P>For the USER-INTEL package, the default is Nphi = 1 and the option
|
||||
defaults are prec = mixed, balance = -1, tpc = 4, tptask = 240. The
|
||||
default ghost option is determined by the pair style being used. This
|
||||
value used is output to the screen in the offload report at the end of
|
||||
each run. These settings are made automatically if the "-sf intel"
|
||||
<A HREF = "Section_start.html#start_7">command-line switch</A> is used. If it is
|
||||
not used, you must invoke the package intel command in your input
|
||||
script or or via the "-pk intel" <A HREF = "Section_start.html#start_7">command-line
|
||||
switch</A>.
|
||||
</P>
|
||||
<P>The default settings for the KOKKOS package are "package kokkos neigh
|
||||
full comm/exchange host comm/forward host". This is the case whether
|
||||
the "-sf kk" <A HREF = "Section_start.html#start_7">command-line switch</A> is used
|
||||
or not.
|
||||
To use the KOKKOS package, the package kokkos command must be invoked
|
||||
explicitly in your input script or via the "-pk kokkos" <A HREF = "Section_start.html#start_7">command-line
|
||||
switch</A>. This will set the # of GPUs/node.
|
||||
The options defaults are gpuID = 0 to Ngpu-1, timing = not enabled,
|
||||
test = not enabled, and thread = auto.
|
||||
</P>
|
||||
<P>For the OMP package, the default is Nthreads = 0 and the option
|
||||
defaults are neigh = yes. These settings are made if the "-sf omp"
|
||||
<A HREF = "Section_start.html#start_7">command-line switch</A> is used. If it is
|
||||
not used, you must invoke the package omp command in your input
|
||||
script.
|
||||
defaults are neigh = yes. These settings are made automatically if
|
||||
the "-sf omp" <A HREF = "Section_start.html#start_7">command-line switch</A> is
|
||||
used. If it is not used, you must invoke the package omp command in
|
||||
your input script or via the "-pk omp" <A HREF = "Section_start.html#start_7">command-line
|
||||
switch</A>.
|
||||
</P>
|
||||
</HTML>
|
||||
|
|
|
|||
173
doc/package.txt
173
doc/package.txt
|
|
@ -45,20 +45,23 @@ args = arguments specific to the style :l
|
|||
size = bin size for neighbor list construction (distance units)
|
||||
{device} value = device_type
|
||||
device_type = {kepler} or {fermi} or {cypress} or {generic}
|
||||
{intel} args = Nthreads precision keyword value ...
|
||||
Nthreads = # of OpenMP threads to associate with each MPI process on host
|
||||
precision = {single} or {mixed} or {double}
|
||||
keywords = {balance} or {offload_cards} or {offload_ghost} or {offload_tpc} or {offload_threads}
|
||||
{intel} args = NPhi keyword value ...
|
||||
Nphi = # of coprocessors per node
|
||||
zero or more keyword/value pairs may be appended
|
||||
keywords = {prec} or {balance} or {ghost} or {tpc} or {tptask}
|
||||
{prec} value = {single} or {mixed} or {double}
|
||||
single = perform force calculations in single precision
|
||||
mixed = perform force calculations in mixed precision
|
||||
double = perform force calculations in double precision
|
||||
{balance} value = split
|
||||
split = fraction of work to offload to coprocessor, -1 for dynamic
|
||||
{offload_cards} value = ncops
|
||||
ncops = number of coprocessors to use on each node
|
||||
{offload_ghost} value = offload_type
|
||||
offload_type = 1 to include ghost atoms for offload, 0 for local only
|
||||
{offload_tpc} value = tpc
|
||||
tpc = number of threads to use on each core of coprocessor
|
||||
{offload_threads} value = tptask
|
||||
tptask = max number of threads to use on coprocessor for each MPI task
|
||||
{ghost} value = {yes} or {no}
|
||||
yes = include ghost atoms for offload
|
||||
no = do not include ghost atoms for offload
|
||||
{tpc} value = Ntpc
|
||||
Ntpc = number of threads to use on each physical core of coprocessor
|
||||
{tptask} value = Ntptask
|
||||
Ntptask = max number of threads to use on coprocessor for each MPI task
|
||||
{kokkos} args = keyword value ...
|
||||
one or more keyword/value pairs may be appended
|
||||
keywords = {neigh} or {comm/exchange} or {comm/forward}
|
||||
|
|
@ -165,8 +168,8 @@ default value, it is usually not necessary to use this keyword.
|
|||
|
||||
:line
|
||||
|
||||
The {gpu} style invokes settings settings associated with the use of
|
||||
the GPU package.
|
||||
The {gpu} style invokes settings associated with the use of the GPU
|
||||
package.
|
||||
|
||||
The {Ngpu} argument sets the number of GPUs per node. There must be
|
||||
at least as many MPI tasks per node as GPUs, as set by the mpirun or
|
||||
|
|
@ -258,65 +261,64 @@ lib/gpu/Makefile that is used.
|
|||
|
||||
:line
|
||||
|
||||
The {intel} style invokes options associated with the use of the
|
||||
USER-INTEL package.
|
||||
The {intel} style invokes settings associated with the use of the
|
||||
USER-INTEL package. All of its settings, except the {prec} keyword,
|
||||
are ignored if LAMMPS was not built with Xeon Phi coprocessor support,
|
||||
when building with the USER-INTEL package. All of its settings,
|
||||
including the {prec} keyword are applicable if LAMMPS was built with
|
||||
coprocessor support.
|
||||
|
||||
The {Nthread} argument allows to one explicitly set the number of
|
||||
OpenMP threads to be allocated for each MPI process, An {Nthreads}
|
||||
value of '*' instructs LAMMPS to use whatever is the default for the
|
||||
given OpenMP environment. This is usually determined via the
|
||||
OMP_NUM_THREADS environment variable or the compiler runtime.
|
||||
The {Nphi} argument sets the number of coprocessors per node.
|
||||
|
||||
The {precision} argument determines the precision mode to use and can
|
||||
take values of {single} (intel styles use single precision for all
|
||||
calculations), {mixed} (intel styles use double precision for
|
||||
accumulation and storage of forces, torques, energies, and virial
|
||||
terms and single precision for everything else), or {double} (intel
|
||||
styles use double precision for all calculations).
|
||||
Optional keyword/value pairs can also be specified. Each has a
|
||||
default value as listed below.
|
||||
|
||||
Additional keyword-value pairs are available that are used to
|
||||
determine how work is offloaded to an Intel(R) coprocessor. If LAMMPS is
|
||||
built without offload support, these values are ignored. The
|
||||
additional settings are as follows:
|
||||
The {prec} keyword argument determines the precision mode to use for
|
||||
computing pair style forces, either on the CPU or on the coprocessor,
|
||||
when using a USER-INTEL supported "pair style"_pair_style.html. It
|
||||
can take a value of {single}, {mixed} which is the default, or
|
||||
{double}. {Single} means single precision is used for the entire
|
||||
force calculation. {Mixed} means forces between a pair of atoms are
|
||||
computed in single precision, but accumulated and stored in double
|
||||
precision, including storage of forces, torques, energies, and virial
|
||||
quantities. {Double} means double precision is used for the entire
|
||||
force calculation.
|
||||
|
||||
The {balance} setting is used to set the fraction of work offloaded to
|
||||
the coprocessor for an intel style (in the inclusive range 0.0 to
|
||||
1.0). While this fraction of work is running on the coprocessor, other
|
||||
calculations will run on the host, including neighbor and pair
|
||||
calculations that are not offloaded, angle, bond, dihedral, kspace,
|
||||
and some MPI communications. If the balance is set to -1, the fraction
|
||||
of work is dynamically adjusted automatically throughout the run. This
|
||||
can typically give performance within 5 to 10 percent of the optimal
|
||||
fixed fraction.
|
||||
The {balance} keyword sets the fraction of "pair
|
||||
style"_pair_style.html work offloaded to the coprocessor style for
|
||||
split values between 0.0 and 1.0 inclusive. While this fraction of
|
||||
work is running on the coprocessor, other calculations will run on the
|
||||
host, including neighbor and pair calculations that are not offloaded,
|
||||
angle, bond, dihedral, kspace, and some MPI communications. If
|
||||
{split} is set to -1, the fraction of work is dynamically adjusted
|
||||
automatically throughout the run. This typically give performance
|
||||
within 5 to 10 percent of the optimal fixed fraction.
|
||||
|
||||
The {offload_cards} setting determines the number of coprocessors to
|
||||
use on each node.
|
||||
|
||||
Additional options for fine tuning performance with offload are as
|
||||
follows:
|
||||
|
||||
The {offload_ghost} setting determines whether or not ghost atoms,
|
||||
atoms at the borders between MPI tasks, are offloaded for neighbor and
|
||||
force calculations. When set to "0", ghost atoms are not offloaded.
|
||||
This option can reduce the amount of data transfer with the
|
||||
coprocessor and also can overlap MPI communication of forces with
|
||||
The {ghost} keyword determines whether or not ghost atoms, i.e. atoms
|
||||
at the boundaries of proessor sub-domains, are offloaded for neighbor
|
||||
and force calculations. When the value = "no", ghost atoms are not
|
||||
offloaded. This option can reduce the amount of data transfer with
|
||||
the coprocessor and can also overlap MPI communication of forces with
|
||||
computation on the coprocessor when the "newton pair"_newton.html
|
||||
setting is "on". When set to "1", ghost atoms are offloaded. In some
|
||||
cases this can provide better performance, especially if the offload
|
||||
fraction is high.
|
||||
setting is "on". When the value = "ues", ghost atoms are offloaded.
|
||||
In some cases this can provide better performance, especially if the
|
||||
{balance} fraction is high.
|
||||
|
||||
The {offload_tpc} option sets the maximum number of threads that will
|
||||
run on each core of the coprocessor.
|
||||
The {tpc} keyword sets the maximum # of threads {Ntpc} that will
|
||||
run on each physical core of the coprocessor. The default value is
|
||||
set to 4, which is the number of hardware threads per core supported
|
||||
by the current generation Xeon Phi chips.
|
||||
|
||||
The {offload_threads} option sets the maximum number of threads that
|
||||
will be used on the coprocessor for each MPI task. This, along with
|
||||
the {offload_tpc} setting, are the only methods for changing the
|
||||
number of threads on the coprocessor. The OMP_NUM_THREADS keyword and
|
||||
{Nthreads} options are only used for threads on the host.
|
||||
The {tptask} keyword sets the maximum # of threads (Ntptask} that will
|
||||
be used on the coprocessor for each MPI task. This, along with the
|
||||
{tpc} keyword setting, are the only methods for changing the number of
|
||||
threads used on the coprocessor. The default value is set to 240 =
|
||||
60*4, which is the maximum # of threads supported by an entire current
|
||||
generation Xeon Phi chip.
|
||||
|
||||
:line
|
||||
|
||||
The {kokkos} style invokes options associated with the use of the
|
||||
The {kokkos} style invokes settings associated with the use of the
|
||||
KOKKOS package.
|
||||
|
||||
The {neigh} keyword determines what kinds of neighbor lists are built.
|
||||
|
|
@ -460,33 +462,44 @@ setting"_Section_start.html#start_7
|
|||
|
||||
[Default:]
|
||||
|
||||
To use the USER-CUDA package, the package command must be invoked
|
||||
explicitly, either via the "-pk cuda" "command-line
|
||||
switch"_Section_start.html#start_7 or by invoking the package cuda
|
||||
command in your input script. This will set the # of GPUs/node. The
|
||||
options defaults are gpuID = 0 to Ngpu-1, timing not enabled, test not
|
||||
enabled, and thread = auto.
|
||||
To use the USER-CUDA package, the package cuda command must be invoked
|
||||
explicitly in your input script or via the "-pk cuda" "command-line
|
||||
switch"_Section_start.html#start_7. This will set the # of GPUs/node.
|
||||
The options defaults are gpuID = 0 to Ngpu-1, timing = not enabled,
|
||||
test = not enabled, and thread = auto.
|
||||
|
||||
For the GPU package, the default is Ngpu = 1 and the option defaults
|
||||
are neigh = yes, split = 1.0, gpuID = 0 to Ngpu-1, tpa = 1, binsize =
|
||||
pair cutoff + neighbor skin, device = not used. These settings are
|
||||
made if the "-sf gpu" "command-line switch"_Section_start.html#start_7
|
||||
is used. If it is not used, you must invoke the package gpu command
|
||||
in your input script.
|
||||
made automatically if the "-sf gpu" "command-line
|
||||
switch"_Section_start.html#start_7 is used. If it is not used, you
|
||||
must invoke the package gpu command in your input script or via the
|
||||
"-pk gpu" "command-line switch"_Section_start.html#start_7.
|
||||
|
||||
The default settings for the USER-INTEL package are "package intel *
|
||||
mixed balance -1 offload_cards 1 offload_tpc 4 offload_threads 240".
|
||||
The {offload_ghost} default setting is determined by the intel style
|
||||
being used. The value used is output to the screen in the offload
|
||||
report at the end of each run.
|
||||
For the USER-INTEL package, the default is Nphi = 1 and the option
|
||||
defaults are prec = mixed, balance = -1, tpc = 4, tptask = 240. The
|
||||
default ghost option is determined by the pair style being used. This
|
||||
value used is output to the screen in the offload report at the end of
|
||||
each run. These settings are made automatically if the "-sf intel"
|
||||
"command-line switch"_Section_start.html#start_7 is used. If it is
|
||||
not used, you must invoke the package intel command in your input
|
||||
script or or via the "-pk intel" "command-line
|
||||
switch"_Section_start.html#start_7.
|
||||
|
||||
The default settings for the KOKKOS package are "package kokkos neigh
|
||||
full comm/exchange host comm/forward host". This is the case whether
|
||||
the "-sf kk" "command-line switch"_Section_start.html#start_7 is used
|
||||
or not.
|
||||
To use the KOKKOS package, the package kokkos command must be invoked
|
||||
explicitly in your input script or via the "-pk kokkos" "command-line
|
||||
switch"_Section_start.html#start_7. This will set the # of GPUs/node.
|
||||
The options defaults are gpuID = 0 to Ngpu-1, timing = not enabled,
|
||||
test = not enabled, and thread = auto.
|
||||
|
||||
For the OMP package, the default is Nthreads = 0 and the option
|
||||
defaults are neigh = yes. These settings are made if the "-sf omp"
|
||||
"command-line switch"_Section_start.html#start_7 is used. If it is
|
||||
not used, you must invoke the package omp command in your input
|
||||
script.
|
||||
defaults are neigh = yes. These settings are made automatically if
|
||||
the "-sf omp" "command-line switch"_Section_start.html#start_7 is
|
||||
used. If it is not used, you must invoke the package omp command in
|
||||
your input script or via the "-pk omp" "command-line
|
||||
switch"_Section_start.html#start_7.
|
||||
|
||||
|
|
|
|||
Loading…
Reference in New Issue