git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11660 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
sjplimp
@ -213,12 +213,12 @@ int DeviceT::set_ocl_params(char *ocl_vendor) {
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template <class numtyp, class acctyp>
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int DeviceT::init(Answer<numtyp,acctyp> &ans, const bool charge,
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const bool rot, const int nlocal,
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const int host_nlocal, const int nall,
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Neighbor *nbor, const int maxspecial,
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const int gpu_host, const int max_nbors,
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const double cell_size, const bool pre_cut,
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const int threads_per_atom) {
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const bool rot, const int nlocal,
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const int host_nlocal, const int nall,
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Neighbor *nbor, const int maxspecial,
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const int gpu_host, const int max_nbors,
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const double cell_size, const bool pre_cut,
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const int threads_per_atom, const bool vel) {
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if (!_device_init)
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return -1;
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if (sizeof(acctyp)==sizeof(double) && gpu->double_precision()==false)
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@ -245,7 +245,7 @@ int DeviceT::init(Answer<numtyp,acctyp> &ans, const bool charge,
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if (_init_count==0) {
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// Initialize atom and nbor data
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if (!atom.init(nall,charge,rot,*gpu,gpu_nbor,gpu_nbor>0 && maxspecial>0))
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if (!atom.init(nall,charge,rot,*gpu,gpu_nbor,gpu_nbor>0 && maxspecial>0,vel))
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return -3;
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_data_in_estimate++;
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@ -253,12 +253,16 @@ int DeviceT::init(Answer<numtyp,acctyp> &ans, const bool charge,
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_data_in_estimate++;
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if (rot)
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_data_in_estimate++;
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if (vel)
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_data_in_estimate++;
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} else {
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if (atom.charge()==false && charge)
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_data_in_estimate++;
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if (atom.quaternion()==false && rot)
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_data_in_estimate++;
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if (!atom.add_fields(charge,rot,gpu_nbor,gpu_nbor>0 && maxspecial))
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if (atom.velocity()==false && vel)
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_data_in_estimate++;
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if (!atom.add_fields(charge,rot,gpu_nbor,gpu_nbor>0 && maxspecial,vel))
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return -3;
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}
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@ -318,7 +322,7 @@ void DeviceT::set_double_precompute
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template <class numtyp, class acctyp>
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void DeviceT::init_message(FILE *screen, const char *name,
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const int first_gpu, const int last_gpu) {
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const int first_gpu, const int last_gpu) {
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#if defined(USE_OPENCL)
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std::string fs="";
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#elif defined(USE_CUDART)
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@ -330,7 +334,7 @@ void DeviceT::init_message(FILE *screen, const char *name,
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if (_replica_me == 0 && screen) {
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fprintf(screen,"\n-------------------------------------");
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fprintf(screen,"-------------------------------------\n");
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fprintf(screen,"- Using GPGPU acceleration for %s:\n",name);
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fprintf(screen,"- Using acceleration for %s:\n",name);
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fprintf(screen,"- with %d proc(s) per device.\n",_procs_per_gpu);
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#ifdef _OPENMP
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fprintf(screen,"- with %d thread(s) per proc.\n",_nthreads);
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@ -361,7 +365,7 @@ void DeviceT::init_message(FILE *screen, const char *name,
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} else
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sname+="Double Precision)";
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fprintf(screen,"GPU %d: %s\n",i,sname.c_str());
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fprintf(screen,"Device %d: %s\n",i,sname.c_str());
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}
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fprintf(screen,"-------------------------------------");
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@ -371,8 +375,8 @@ void DeviceT::init_message(FILE *screen, const char *name,
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template <class numtyp, class acctyp>
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void DeviceT::estimate_gpu_overhead(const int kernel_calls,
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double &gpu_overhead,
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double &gpu_driver_overhead) {
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double &gpu_overhead,
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double &gpu_driver_overhead) {
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UCL_H_Vec<int> *host_data_in=NULL, *host_data_out=NULL;
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UCL_D_Vec<int> *dev_data_in=NULL, *dev_data_out=NULL, *kernel_data=NULL;
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UCL_Timer *timers_in=NULL, *timers_out=NULL, *timers_kernel=NULL;
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@ -506,16 +510,17 @@ void DeviceT::output_times(UCL_Timer &time_pair, Answer<numtyp,acctyp> &ans,
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double mpi_max_bytes;
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MPI_Reduce(&my_max_bytes,&mpi_max_bytes,1,MPI_DOUBLE,MPI_MAX,0,_comm_replica);
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double max_mb=mpi_max_bytes/(1024.0*1024.0);
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double t_time=times[0]+times[1]+times[2]+times[3]+times[4];
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if (replica_me()==0)
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if (screen && times[5]>0.0) {
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fprintf(screen,"\n\n-------------------------------------");
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fprintf(screen,"--------------------------------\n");
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fprintf(screen," GPU Time Info (average): ");
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fprintf(screen," Device Time Info (average): ");
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fprintf(screen,"\n-------------------------------------");
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fprintf(screen,"--------------------------------\n");
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if (time_device()) {
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if (time_device() && t_time>0) {
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fprintf(screen,"Data Transfer: %.4f s.\n",times[0]/_replica_size);
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fprintf(screen,"Data Cast/Pack: %.4f s.\n",times[4]/_replica_size);
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fprintf(screen,"Neighbor copy: %.4f s.\n",times[1]/_replica_size);
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@ -527,7 +532,8 @@ void DeviceT::output_times(UCL_Timer &time_pair, Answer<numtyp,acctyp> &ans,
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}
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if (nbor.gpu_nbor()==2)
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fprintf(screen,"Neighbor (CPU): %.4f s.\n",times[8]/_replica_size);
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fprintf(screen,"GPU Overhead: %.4f s.\n",times[5]/_replica_size);
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if (times[5]>0)
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fprintf(screen,"Device Overhead: %.4f s.\n",times[5]/_replica_size);
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fprintf(screen,"Average split: %.4f.\n",avg_split);
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fprintf(screen,"Threads / atom: %d.\n",threads_per_atom);
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fprintf(screen,"Max Mem / Proc: %.2f MB.\n",max_mb);
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@ -541,14 +547,14 @@ void DeviceT::output_times(UCL_Timer &time_pair, Answer<numtyp,acctyp> &ans,
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template <class numtyp, class acctyp>
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void DeviceT::output_kspace_times(UCL_Timer &time_in,
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UCL_Timer &time_out,
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UCL_Timer &time_map,
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UCL_Timer &time_rho,
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UCL_Timer &time_interp,
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Answer<numtyp,acctyp> &ans,
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const double max_bytes,
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const double cpu_time,
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const double idle_time, FILE *screen) {
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UCL_Timer &time_out,
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UCL_Timer &time_map,
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UCL_Timer &time_rho,
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UCL_Timer &time_interp,
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Answer<numtyp,acctyp> &ans,
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const double max_bytes,
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const double cpu_time,
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const double idle_time, FILE *screen) {
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double single[8], times[8];
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single[0]=time_out.total_seconds();
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@ -566,16 +572,17 @@ void DeviceT::output_kspace_times(UCL_Timer &time_in,
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double mpi_max_bytes;
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MPI_Reduce(&my_max_bytes,&mpi_max_bytes,1,MPI_DOUBLE,MPI_MAX,0,_comm_replica);
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double max_mb=mpi_max_bytes/(1024.0*1024.0);
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double t_time=times[0]+times[1]+times[2]+times[3]+times[4]+times[5];
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if (replica_me()==0)
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if (screen && times[6]>0.0) {
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fprintf(screen,"\n\n-------------------------------------");
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fprintf(screen,"--------------------------------\n");
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fprintf(screen," GPU Time Info (average): ");
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fprintf(screen," Device Time Info (average): ");
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fprintf(screen,"\n-------------------------------------");
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fprintf(screen,"--------------------------------\n");
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if (time_device()) {
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if (time_device() && t_time>0) {
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fprintf(screen,"Data Out: %.4f s.\n",times[0]/_replica_size);
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fprintf(screen,"Data In: %.4f s.\n",times[1]/_replica_size);
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fprintf(screen,"Kernel (map): %.4f s.\n",times[2]/_replica_size);
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