ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

Update docs

Browse Source
This commit is contained in:
Stan Moore
2024-02-16 13:15:40 -07:00
parent f38f2ef4f2
commit 7a836c7e69
1 changed files with 13 additions and 15 deletions
Download Patch File Download Diff File Expand all files Collapse all files

28
doc/src/package.rst
View File

@ -569,15 +569,12 @@ performing the exchange pack/unpack on the host CPU can give speedup
since it reduces the number of CUDA kernel launches.
The *sort* keyword determines whether the host or device performs atom
sorting, see the :doc:`atom_modify sort <atom_modify>` command. The
value options for the *sort* keyword are *no* or *device* similar to the
*comm* keywords above. If a value of *host* is used it will be
automatically be changed to *no* since the *sort* keyword does not
support *host* mode. The value of *no* will also always be used when
running on the CPU, i.e. setting the value to *device* will have no
effect if the simulation is running on the CPU. Not all fix styles with
extra atom data support *device* mode and in that case a warning will be
given and atom sorting will run in *no* mode instead.
sorting, see the :doc:`atom_modify sort <atom_modify>` command. The value
options for the *sort* keyword are *no* or *device* similar to the *comm*
keywords above. If a value of *host* is used it will be automatically be
changed to *no* since the *sort* keyword does not support *host* mode. Not
all fix styles with extra atom data support *device* mode and in that case
a warning will be given and atom sorting will run in *no* mode instead.
The *atom/map* keyword determines whether the host or device builds the
atom_map, see the :doc:`atom_modify map <atom_modify>` command. The
@ -601,12 +598,13 @@ for OpenMPI 1.8 (or later versions), Mvapich2 1.9 (or later) when the
Spectrum MPI when the "-gpu" flag is used.
The *pair/only* keyword can change how the KOKKOS suffix "kk" is applied
when using an accelerator device. By default device acceleration is
always used for all available styles. With *pair/only* set to *on* the
suffix setting will choose device acceleration only for pair styles and
run all other force computations on the host CPU.
The *comm* flags will also automatically be changed to *no*\ . This can
result in better performance for certain configurations and system sizes.
when using an accelerator device. By default device acceleration is always
used for all available styles. With *pair/only* set to *on* the suffix
setting will choose device acceleration only for pair styles and run all
other force computations on the host CPU. The *comm* flags, along with the
*sort* and *atom/map* keywords will also automatically be changed to *no*\ .
This can result in better performance for certain configurations and
system sizes.
----------