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Updating all code to use full neighbor lists for all host forces

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computations. Changed the load balancing scheme. Added timing estimates
for GPU and driver overhead, cpu idle time.
This commit is contained in:
W. Michael Brown
2011-03-28 13:18:39 -04:00
parent c831733b31
commit 71ff7b8096
28 changed files with 168 additions and 161 deletions
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9
lib/gpu/crml_gpu.cpp
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@ -99,6 +99,7 @@ bool crml_gpu_init(const int ntypes, double cut_bothsq, double **host_lj1,
}
if (message)
fprintf(screen,"\n");
CRMLMF.estimate_gpu_overhead();
return true;
}
@ -106,15 +107,17 @@ void crml_gpu_clear() {
CRMLMF.clear();
}
int * crml_gpu_compute_n(const int ago, const int inum_full,
int** crml_gpu_compute_n(const int ago, const int inum_full,
const int nall, double **host_x, int *host_type,
double *boxlo, double *boxhi, int *tag, int **nspecial,
int **special, const bool eflag, const bool vflag,
const bool eatom, const bool vatom, int &host_start,
const double cpu_time, bool &success, double *host_q) {
int **ilist, int **jnum, const double cpu_time,
bool &success, double *host_q) {
return CRMLMF.compute(ago, inum_full, nall, host_x, host_type, boxlo,
boxhi, tag, nspecial, special, eflag, vflag, eatom,
vatom, host_start, cpu_time, success, host_q);
vatom, host_start, ilist, jnum, cpu_time, success,
host_q);
}
void crml_gpu_compute(const int ago, const int inum_full,