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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/cmmc_long_gpu.cpp
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@ -94,6 +94,7 @@ bool cmml_gpu_init(const int ntypes, double **cutsq, int **cg_type,
}
if (message)
fprintf(screen,"\n");
CMMLMF.estimate_gpu_overhead();
return true;
}
@ -101,15 +102,17 @@ void cmml_gpu_clear() {
CMMLMF.clear();
}
int * cmml_gpu_compute_n(const int ago, const int inum_full,
int** cmml_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 CMMLMF.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 cmml_gpu_compute(const int ago, const int inum_full, const int nall,