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Collapsing kokkos half and half/thread neighbor lists 

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14922 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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stamoor 2016-05-03 14:36:02 +00:00
parent 33ce33ce36
commit ed75c87cd6
1 changed files with 5 additions and 8 deletions
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doc/package.txt
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@ -76,10 +76,9 @@ args = arguments specific to the style :l
{kokkos} args = keyword value ... {kokkos} args = keyword value ...
zero or more keyword/value pairs may be appended zero or more keyword/value pairs may be appended
keywords = {neigh} or {newton} or {binsize} or {comm} or {comm/exchange} or {comm/forward} keywords = {neigh} or {newton} or {binsize} or {comm} or {comm/exchange} or {comm/forward}
{neigh} value = {full} or {half/thread} or {half} or {n2} or {full/cluster} {neigh} value = {full} or {half} or {n2} or {full/cluster}
full = full neighbor list full = full neighbor list
half/thread = half neighbor list built in thread-safe manner half = half neighbor list built in thread-safe manner
half = half neighbor list, not thread-safe, only use when 1 thread/MPI task
n2 = non-binning neighbor list build, O(N^2) algorithm n2 = non-binning neighbor list build, O(N^2) algorithm
full/cluster = full neighbor list with clustered groups of atoms full/cluster = full neighbor list with clustered groups of atoms
{newton} = {off} or {on} {newton} = {off} or {on}
@ -110,7 +109,7 @@ package gpu 1 split 0.75
package gpu 2 split -1.0 package gpu 2 split -1.0
package cuda 2 gpuID 0 2 package cuda 2 gpuID 0 2
package cuda 1 test 3948 package cuda 1 test 3948
package kokkos neigh half/thread comm device package kokkos neigh half comm device
package omp 0 neigh no package omp 0 neigh no
package omp 4 package omp 4
package intel 1 package intel 1
@ -447,10 +446,8 @@ All of the settings are optional keyword/value pairs. Each has a
default value as listed below. default value as listed below.
The {neigh} keyword determines how neighbor lists are built. A value The {neigh} keyword determines how neighbor lists are built. A value
of {half} uses half-neighbor lists, the same as used by most pair of {half} uses a thread-safe variant of half-neighbor lists,
styles in LAMMPS. A value of {half/thread} uses a thread-safe variant the same as used by most pair styles in LAMMPS. A value of
of the half-neighbor list. It should be used instead of {half} when
running with more than 1 threads per MPI task on a CPU. A value of
{n2} uses an O(N^2) algorithm to build the neighbor list without {n2} uses an O(N^2) algorithm to build the neighbor list without
binning, where N = # of atoms on a processor. It is typically slower binning, where N = # of atoms on a processor. It is typically slower
than the other methods, which use binning. than the other methods, which use binning.