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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6053 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2011-05-02 15:02:52 +00:00
parent 2be078632d
commit 5f799182b3
70 changed files with 4489 additions and 2253 deletions
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75
lib/gpu/gb_gpu_memory.h
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@ -18,8 +18,6 @@
#ifndef GB_GPU_MEMORY_H
#define GB_GPU_MEMORY_H
#define BLOCK_1D 64
#include "pair_gpu_device.h"
#include "pair_gpu_balance.h"
#include "mpi.h"
@ -35,23 +33,34 @@ class GB_GPU_Memory {
* \param max_nbors initial number of rows in the neighbor matrix
* \param cell_size cutoff + skin
* \param gpu_split fraction of particles handled by device
* \return false if there is not sufficient memory or device init prob **/
bool init(const int ntypes, const double gamma,
const double upsilon, const double mu, double **host_shape,
double **host_well, double **host_cutsq, double **host_sigma,
double **host_epsilon, double *host_lshape, int **h_form,
double **host_lj1, double **host_lj2, double **host_lj3,
double **host_lj4, double **host_offset,
const double *host_special_lj, const int nlocal, const int nall,
const int max_nbors, const double cell_size,
const double gpu_split, FILE *screen);
* \return false if there is not sufficient memory or device init prob
*
* Returns:
* - 0 if successfull
* - -1 if fix gpu not found
* - -3 if there is an out of memory error
* - -4 if the GPU library was not compiled for GPU
* - -5 Double precision is not supported on card **/
int init(const int ntypes, const double gamma,
const double upsilon, const double mu, double **host_shape,
double **host_well, double **host_cutsq, double **host_sigma,
double **host_epsilon, double *host_lshape, int **h_form,
double **host_lj1, double **host_lj2, double **host_lj3,
double **host_lj4, double **host_offset,
const double *host_special_lj, const int nlocal, const int nall,
const int max_nbors, const double cell_size,
const double gpu_split, FILE *screen);
/// Estimate the overhead for GPU context changes and CPU driver
void estimate_gpu_overhead();
/// Check if there is enough storage for atom arrays and realloc if not
/** \param success set to false if insufficient memory **/
inline void resize_atom(const int inum, const int nall, bool &success) {
atom->resize(inum, nall, success);
if (multiple_forms) atom->dev_ans.zero();
double bytes=atom->gpu_bytes()+nbor->gpu_bytes();
atom->resize(nall, success);
ans->resize(inum, success);
if (multiple_forms) ans->dev_ans.zero();
double bytes=ans->gpu_bytes()+nbor->gpu_bytes();
if (bytes>_max_bytes)
_max_bytes=bytes;
}
@ -74,7 +83,7 @@ class GB_GPU_Memory {
success=success && (host_olist.alloc(new_size,*ucl_device)==UCL_SUCCESS);
}
nbor->resize(nlocal,host_inum,max_nbors,success);
double bytes=atom->gpu_bytes()+nbor->gpu_bytes();
double bytes=ans->gpu_bytes()+nbor->gpu_bytes();
if (bytes>_max_bytes)
_max_bytes=bytes;
}
@ -91,19 +100,22 @@ class GB_GPU_Memory {
/// Accumulate timers
inline void acc_timers() {
if (nbor_time_avail) {
nbor->time_nbor.add_to_total();
nbor->time_kernel.add_to_total();
nbor_time_avail=false;
if (device->time_device()) {
if (nbor_time_avail) {
nbor->time_nbor.add_to_total();
nbor->time_kernel.add_to_total();
nbor_time_avail=false;
}
time_kernel.add_to_total();
time_gayberne.add_to_total();
if (multiple_forms) {
time_kernel2.add_to_total();
time_gayberne2.add_to_total();
time_pair.add_to_total();
}
atom->acc_timers();
ans->acc_timers();
}
time_kernel.add_to_total();
time_gayberne.add_to_total();
if (multiple_forms) {
time_kernel2.add_to_total();
time_gayberne2.add_to_total();
time_pair.add_to_total();
}
atom->acc_timers();
}
/// Accumulate timers
@ -117,6 +129,7 @@ class GB_GPU_Memory {
time_pair.zero();
}
atom->zero_timers();
ans->zero_timers();
}
// -------------------------- DEVICE DATA -------------------------
@ -168,6 +181,10 @@ class GB_GPU_Memory {
int last_ellipse, max_last_ellipse;
// ------------------------ FORCE/ENERGY DATA -----------------------
PairGPUAns<numtyp,acctyp> *ans;
// --------------------------- NBOR DATA ----------------------------
/// Neighbor data
@ -183,10 +200,12 @@ class GB_GPU_Memory {
UCL_Kernel k_gayberne, k_sphere_gb, k_lj_fast, k_lj;
inline int block_size() { return _block_size; }
int _threads_per_atom;
private:
bool _allocated, _compiled;
int _block_size;
double _max_bytes;
double _gpu_overhead, _driver_overhead;
void compile_kernels(UCL_Device &dev);
};