Loading doc/src/comm_modify.txt +11 −3 Original line number Diff line number Diff line Loading @@ -13,7 +13,8 @@ comm_modify command :h3 comm_modify keyword value ... :pre zero or more keyword/value pairs may be appended :ulb,l keyword = {mode} or {cutoff} or {cutoff/multi} or {group} or {vel} :l keyword = {mode} or {cutoff} or {cutoff/multi} or {group} or {vel} or {ring_neighbors} :l {mode} value = {single} or {multi} = communicate atoms within a single or multiple distances {cutoff} value = Rcut (distance units) = communicate atoms from this far away {cutoff/multi} type value Loading @@ -21,6 +22,8 @@ keyword = {mode} or {cutoff} or {cutoff/multi} or {group} or {vel} :l value = Rcut (distance units) = communicate atoms for selected types from this far away {group} value = group-ID = only communicate atoms in the group {vel} value = {yes} or {no} = do or do not communicate velocity info with ghost atoms :pre {ring_neighbors} value = {yes} or {no} = do or do not use optimize ring communication to only nearest neighbors :pre :ule [Examples:] Loading Loading @@ -143,6 +146,11 @@ with its "remap v" option enabled, then the velocities for ghost atoms also include components due to any velocity shift that occurs across that boundary (e.g. due to dilation or shear). The {ring_neighbors} keyword enables an optimization to perform ring communications only to nearest neighbor processors for supported communication operations. This can result in substabtial speedups for calculations using a very large number of processors. [Restrictions:] Communication mode {multi} is currently only available for Loading @@ -155,5 +163,5 @@ Communication mode {multi} is currently only available for [Default:] The option defauls are mode = single, group = all, cutoff = 0.0, vel = no. The cutoff default of 0.0 means that ghost cutoff = neighbor cutoff = pairwise force cutoff + neighbor skin. no, ring_neighbors = no. The cutoff default of 0.0 means that ghost cutoff = neighbor cutoff = pairwise force cutoff + neighbor skin. doc/src/replicate.txt +9 −2 Original line number Diff line number Diff line Loading @@ -10,9 +10,11 @@ replicate command :h3 [Syntax:] replicate nx ny nz :pre replicate nx ny nz {keyword} :pre nx,ny,nz = replication factors in each dimension :ul nx,ny,nz = replication factors in each dimension :ulb optional {keyword} = {bbox} :l {bbox} = restrict processors used in communicating replicated atoms :ule [Examples:] Loading Loading @@ -43,6 +45,11 @@ file that crosses a periodic boundary should be between two atoms with image flags that differ by 1. This will allow the bond to be unwrapped appropriately. The optional keyword {bbox} allows to restrict the number of processors used in the communication of the replicated atoms, and thus can result in substantial speedups for calculations using a large number of processors. It does require temporarily using more memory. [Restrictions:] A 2d simulation cannot be replicated in the z dimension. Loading src/comm.cpp +6 −3 Original line number Diff line number Diff line Loading @@ -309,9 +309,12 @@ void Comm::modify_params(int narg, char **arg) else if (strcmp(arg[iarg+1],"no") == 0) ghost_velocity = 0; else error->all(FLERR,"Illegal comm_modify command"); iarg += 2; } else if (strcmp(arg[iarg],"ring_neighbor") == 0) { neighborflag = 1; iarg++; } else if (strcmp(arg[iarg],"ring_neighbors") == 0) { if (iarg+2 > narg) error->all(FLERR,"Illegal comm_modify command"); if (strcmp(arg[iarg+1],"yes") == 0) neighborflag = 1; else if (strcmp(arg[iarg+1],"no") == 0) neighborflag = 0; else error->all(FLERR,"Illegal comm_modify command"); iarg += 2; } else error->all(FLERR,"Illegal comm_modify command"); } } Loading Loading
doc/src/comm_modify.txt +11 −3 Original line number Diff line number Diff line Loading @@ -13,7 +13,8 @@ comm_modify command :h3 comm_modify keyword value ... :pre zero or more keyword/value pairs may be appended :ulb,l keyword = {mode} or {cutoff} or {cutoff/multi} or {group} or {vel} :l keyword = {mode} or {cutoff} or {cutoff/multi} or {group} or {vel} or {ring_neighbors} :l {mode} value = {single} or {multi} = communicate atoms within a single or multiple distances {cutoff} value = Rcut (distance units) = communicate atoms from this far away {cutoff/multi} type value Loading @@ -21,6 +22,8 @@ keyword = {mode} or {cutoff} or {cutoff/multi} or {group} or {vel} :l value = Rcut (distance units) = communicate atoms for selected types from this far away {group} value = group-ID = only communicate atoms in the group {vel} value = {yes} or {no} = do or do not communicate velocity info with ghost atoms :pre {ring_neighbors} value = {yes} or {no} = do or do not use optimize ring communication to only nearest neighbors :pre :ule [Examples:] Loading Loading @@ -143,6 +146,11 @@ with its "remap v" option enabled, then the velocities for ghost atoms also include components due to any velocity shift that occurs across that boundary (e.g. due to dilation or shear). The {ring_neighbors} keyword enables an optimization to perform ring communications only to nearest neighbor processors for supported communication operations. This can result in substabtial speedups for calculations using a very large number of processors. [Restrictions:] Communication mode {multi} is currently only available for Loading @@ -155,5 +163,5 @@ Communication mode {multi} is currently only available for [Default:] The option defauls are mode = single, group = all, cutoff = 0.0, vel = no. The cutoff default of 0.0 means that ghost cutoff = neighbor cutoff = pairwise force cutoff + neighbor skin. no, ring_neighbors = no. The cutoff default of 0.0 means that ghost cutoff = neighbor cutoff = pairwise force cutoff + neighbor skin.
doc/src/replicate.txt +9 −2 Original line number Diff line number Diff line Loading @@ -10,9 +10,11 @@ replicate command :h3 [Syntax:] replicate nx ny nz :pre replicate nx ny nz {keyword} :pre nx,ny,nz = replication factors in each dimension :ul nx,ny,nz = replication factors in each dimension :ulb optional {keyword} = {bbox} :l {bbox} = restrict processors used in communicating replicated atoms :ule [Examples:] Loading Loading @@ -43,6 +45,11 @@ file that crosses a periodic boundary should be between two atoms with image flags that differ by 1. This will allow the bond to be unwrapped appropriately. The optional keyword {bbox} allows to restrict the number of processors used in the communication of the replicated atoms, and thus can result in substantial speedups for calculations using a large number of processors. It does require temporarily using more memory. [Restrictions:] A 2d simulation cannot be replicated in the z dimension. Loading
src/comm.cpp +6 −3 Original line number Diff line number Diff line Loading @@ -309,9 +309,12 @@ void Comm::modify_params(int narg, char **arg) else if (strcmp(arg[iarg+1],"no") == 0) ghost_velocity = 0; else error->all(FLERR,"Illegal comm_modify command"); iarg += 2; } else if (strcmp(arg[iarg],"ring_neighbor") == 0) { neighborflag = 1; iarg++; } else if (strcmp(arg[iarg],"ring_neighbors") == 0) { if (iarg+2 > narg) error->all(FLERR,"Illegal comm_modify command"); if (strcmp(arg[iarg+1],"yes") == 0) neighborflag = 1; else if (strcmp(arg[iarg+1],"no") == 0) neighborflag = 0; else error->all(FLERR,"Illegal comm_modify command"); iarg += 2; } else error->all(FLERR,"Illegal comm_modify command"); } } Loading
