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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7797 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2012-02-15 23:38:24 +00:00
parent 2721d93e2c
commit e35f6365b6
2 changed files with 24 additions and 13 deletions
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8
src/MANYBODY/pair_comb.h
View File

@ -101,7 +101,8 @@ class PairComb : public Pair {
double comb_bij(double, Param *);
double comb_bij_d(double, Param *);
inline double comb_gijk(const double costheta, const Param * const param) const {
inline double comb_gijk(const double costheta,
const Param * const param) const {
const double comb_c = param->c * param->c;
const double comb_d = param->d * param->d;
const double hcth = param->h - costheta;
@ -109,7 +110,8 @@ class PairComb : public Pair {
return param->gamma*(1.0 + comb_c/comb_d - comb_c / (comb_d + hcth*hcth));
}
inline double comb_gijk_d(const double costheta, const Param * const param) const {
inline double comb_gijk_d(const double costheta,
const Param * const param) const {
const double comb_c = param->c * param->c;
const double comb_d = param->d * param->d;
const double hcth = param->h - costheta;
@ -143,7 +145,7 @@ class PairComb : public Pair {
int pack_comm(int , int *, double *, int, int *);
void unpack_comm(int , int , double *);
// Short range neighbor list
// short range neighbor list
void add_pages(int howmany=1);
void Short_neigh();

29
src/balance.cpp
View File

@ -488,6 +488,7 @@ int Balance::dynamic_once()
#endif
}
imbfactor = imbalance_splits(max);
if (comm->me == 0) printf("AAA %d %d %g\n",irepeat,i,imbfactor);
if (imbfactor <= thresh) break;
}
if (i < nops) break;
@ -500,7 +501,7 @@ int Balance::dynamic_once()
/* ----------------------------------------------------------------------
perform dynamic load balance by changing xyz split proc boundaries in Comm
called from command and fix balance
called from fix balance
return actual iteration count
------------------------------------------------------------------------- */
@ -581,12 +582,6 @@ void Balance::adjust(int n, bigint *count, double *split)
double damp = 0.5;
// maxcount = max atoms in any slice
bigint maxcount = 0;
for (int i = 0; i < n; i++)
maxcount = MAX(maxcount,count[i]);
// loop over slices
// cut I is between 2 slices (I-1 and I) with counts
// cut I+1 is between 2 slices (I and I+1) with counts
@ -597,14 +592,14 @@ void Balance::adjust(int n, bigint *count, double *split)
double rho,target,targetleft,targetright;
for (int i = 0; i < n; i++) {
if (i == 0) leftcount = maxcount;
if (i == 0) leftcount = MAXBIGINT;
else leftcount = count[i-1];
mycount = count[i];
if (i == n-1) rightcount = maxcount;
if (i == n-1) rightcount = MAXBIGINT;
else rightcount = count[i+1];
// middle slice is <= both left and right, so do nothing
// special case if 2 slices both have count = 0, no change in cut
// special case if 2 slices both have count = 0 -> no change in cut
if (mycount <= leftcount && mycount <= rightcount) {
if (leftcount == 0) cuts[i] = split[i];
@ -616,6 +611,19 @@ void Balance::adjust(int n, bigint *count, double *split)
rho = mycount / (split[i+1] - split[i]);
// middle slice has more atoms than left or right slice
// send atoms in that dir
if (mycount > leftcount) {
target = damp * 0.5*(mycount-leftcount);
cuts[i] = split[i] + target/rho;
}
if (mycount > rightcount) {
target = damp * 0.5*(mycount-rightcount);
cuts[i+1] = split[i+1] - target/rho;
}
/*
// middle slice has more atoms then left or right slice
// if delta from middle to top slice > delta between top and bottom slice
// then send atoms both dirs to bring all 3 slices to same count
@ -656,6 +664,7 @@ void Balance::adjust(int n, bigint *count, double *split)
target = damp * 0.5*(mycount-rightcount);
cuts[i+1] = split[i+1] - target/rho;
}
*/
}
// overwrite adjustable splits with new cuts