jianmu
/
lammps
forked from lijiext/lammps
1
0
Fork 0
Code Issues Pull Requests Packages Projects Releases Wiki Activity

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14931 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2016-05-03 16:21:05 +00:00
parent 8da30644a7
commit 58dd900639
2 changed files with 10 additions and 16 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

13
doc/_sources/package.txt
View File

@ -76,10 +76,9 @@ Syntax
*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*
@ -114,7 +113,7 @@ Examples
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
@ -467,10 +466,8 @@ 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.

13
doc/package.html
View File

@ -198,10 +198,9 @@
<em>kokkos</em> args = keyword value ... <em>kokkos</em> args = keyword value ...
zero or more keyword/value pairs may be appended zero or more keyword/value pairs may be appended
keywords = <em>neigh</em> or <em>newton</em> or <em>binsize</em> or <em>comm</em> or <em>comm/exchange</em> or <em>comm/forward</em> keywords = <em>neigh</em> or <em>newton</em> or <em>binsize</em> or <em>comm</em> or <em>comm/exchange</em> or <em>comm/forward</em>
<em>neigh</em> value = <em>full</em> or <em>half/thread</em> or <em>half</em> or <em>n2</em> or <em>full/cluster</em> <em>neigh</em> value = <em>full</em> or <em>half</em> or <em>n2</em> or <em>full/cluster</em>
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
<em>newton</em> = <em>off</em> or <em>on</em> <em>newton</em> = <em>off</em> or <em>on</em>
@ -232,7 +231,7 @@ 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
@ -527,10 +526,8 @@ KOKKOS package.</p>
<p>All of the settings are optional keyword/value pairs. Each has a <p>All of the settings are optional keyword/value pairs. Each has a
default value as listed below.</p> default value as listed below.</p>
<p>The <em>neigh</em> keyword determines how neighbor lists are built. A value <p>The <em>neigh</em> keyword determines how neighbor lists are built. A value
of <em>half</em> uses half-neighbor lists, the same as used by most pair of <em>half</em> uses a thread-safe variant of half-neighbor lists,
styles in LAMMPS. A value of <em>half/thread</em> 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 <em>half</em> when
running with more than 1 threads per MPI task on a CPU. A value of
<em>n2</em> uses an O(N^2) algorithm to build the neighbor list without <em>n2</em> 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.</p> than the other methods, which use binning.</p>