gpucard.h

#pragma once
#include "tool/rcman.h"
#include <string>
#include <vector>
 
#if TINKER_CUDART
namespace tinker {
 
struct DeviceAttribute
{
   int device;             
   std::string name;       
   std::string pci_string; 
 
   int cc_major;            
   int cc_minor;            
   int cc;                  
   int single_double_ratio; 
 
   std::string compute_mode_string;
   std::string ecc_string;
 
   size_t free_mem_bytes;  
   size_t total_mem_bytes; 
 
   int max_threads_per_block;
   int max_shared_bytes_per_block;
 
   int multiprocessor_count;
   int max_threads_per_multiprocessor;
   int max_shared_bytes_per_multiprocessor;
   int max_blocks_per_multiprocessor;
   int cores_per_multiprocessor;
 
   int clock_rate_kHz; 
};
 
std::string gpuCudaRuntimeVersion();
std::string gpuCudaDriverVersion();
std::string gpuThrustVersion();
std::vector<DeviceAttribute>& gpuDeviceAttributes();
 
}
#endif
 
namespace tinker {
 
void gpuData(RcOp);
 
int gpuGridSize(int nthreadsPerBlock);
 
int gpuMaxNParallel(int idev);
 
}
 
//====================================================================//
//                                                                    //
//                          Global Variables                          //
//                                                                    //
//====================================================================//
 
namespace tinker {
constexpr unsigned WARP_SIZE = 32;
constexpr unsigned ALL_LANES = 0xFFFFFFFF;
constexpr unsigned BLOCK_DIM = 128;
constexpr int PME_BLOCKDIM = 64;
 
TINKER_EXTERN int ndevice; 
TINKER_EXTERN int idevice; 
}