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@6194 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2011-05-20 22:29:46 +00:00
parent a764a2e141
commit f7eefa416e
2 changed files with 21 additions and 12 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

12
src/neighbor.cpp
View File

@ -480,11 +480,11 @@ void Neighbor::init()
// fix/compute requests:
// kind of request = half or full, occasional or not doesn't matter
// if request = half and non-skip pair half/respaouter exists,
// become copy of that list
// become copy of that list if cudable flag matches
// if request = full and non-skip pair full exists,
// become copy of that list
// become copy of that list if cudable flag matches
// if request = half and non-skip pair full exists,
// become half_from_full of that list
// become half_from_full of that list if cudable flag matches
// if no matches, do nothing, fix/compute list will be built directly
// ok if parent is copy list
@ -534,6 +534,8 @@ void Neighbor::init()
if (requests[i]->half && requests[j]->pair &&
requests[j]->skip == 0 && requests[j]->respaouter) break;
}
if (j < nlist && requests[j]->cudable != requests[i]->cudable)
j = nlist;
if (j < nlist) {
requests[i]->copy = 1;
lists[i]->listcopy = lists[j];
@ -542,6 +544,8 @@ void Neighbor::init()
if (requests[i]->half && requests[j]->pair &&
requests[j]->skip == 0 && requests[j]->full) break;
}
if (j < nlist && requests[j]->cudable != requests[i]->cudable)
j = nlist;
if (j < nlist) {
requests[i]->half = 0;
requests[i]->half_from_full = 1;
@ -553,11 +557,13 @@ void Neighbor::init()
// set ptrs to pair_build and stencil_create functions for each list
// ptrs set to NULL if not set explicitly
// also set cudable to 0 if any neigh list request is not cudable
for (i = 0; i < nlist; i++) {
choose_build(i,requests[i]);
if (style != NSQ) choose_stencil(i,requests[i]);
else stencil_create[i] = NULL;
if (!requests[i]->cudable) cudable = 0;
}
// set each list's build/grow/stencil/ghost flags based on neigh request

21
src/neighbor.h
View File

@ -19,6 +19,8 @@
namespace LAMMPS_NS {
class Neighbor : protected Pointers {
friend class Cuda;
public:
int style; // 0,1,2 = nsq, bin, multi
int every; // build every this many steps
@ -29,6 +31,7 @@ class Neighbor : protected Pointers {
int oneatom; // max # of neighbors for one atom
int includegroup; // only build pairwise lists for this group
int build_once; // 1 if only build lists once per run
int cudable; // GPU <-> CPU communication flag for CUDA
double skin; // skin distance
double cutneighmin; // min neighbor cutoff for all type pairs
@ -61,15 +64,15 @@ class Neighbor : protected Pointers {
Neighbor(class LAMMPS *);
virtual ~Neighbor();
void init();
int request(void *); // another class requests a neighbor list
void print_lists_of_lists(); // debug print out
int decide(); // decide whether to build or not
int check_distance(); // check max distance moved since last build
void setup_bins(); // setup bins based on box and cutoff
void build(); // create all neighbor lists (pair,bond)
void build_one(int); // create a single neighbor list
void set(int, char **); // set neighbor style and skin distance
virtual void init();
int request(void *); // another class requests a neighbor list
void print_lists_of_lists(); // debug print out
int decide(); // decide whether to build or not
virtual int check_distance(); // check max distance moved since last build
void setup_bins(); // setup bins based on box and cutoff
virtual void build(); // create all neighbor lists (pair,bond)
void build_one(int); // create a single neighbor list
void set(int, char **); // set neighbor style and skin distance
void modify_params(int, char**); // modify parameters that control builds
bigint memory_usage();