#include <stdio.h>
#include <stdlib.h>
#include <string.h>
#include <cuda.h>
#include "Inform.h"
#include "utilities.h"
#include "WKFThreads.h"
#include "WKFUtils.h"
#include "CUDAKernels.h"
Go to the source code of this file.
Compounds | |
struct | enthrparms |
Defines | |
#define | CUERR |
#define | MAXATOMS 4000 |
#define | UNROLLX 8 |
#define | UNROLLY 1 |
#define | BLOCKSIZEX 8 |
#define | BLOCKSIZEY 8 |
#define | BLOCKSIZE (BLOCKSIZEX*BLOCKSIZEY) |
#define | FLOPSPERATOMEVAL (59.0/8.0) |
#define | TILESIZEX BLOCKSIZEX*UNROLLX |
#define | TILESIZEY BLOCKSIZEY*UNROLLY |
#define | GPU_X_ALIGNMASK (TILESIZEX - 1) |
#define | GPU_Y_ALIGNMASK (TILESIZEY - 1) |
#define | DMABUFPADSIZE (32 * 1024) |
Functions | |
void * | cudaenergythread (void *) |
__global__ void | cenergy (int numatoms, float gridspacing, float *energygrid) |
int | copyatomstoconstbuf (const float *atoms, float *atompre, int count, float zplane) |
int | vmd_cuda_vol_cpotential (long int natoms, float *atoms, float *grideners, long int numplane, long int numcol, long int numpt, float gridspacing) |
Variables | |
__constant__ float4 | atominfo [MAXATOMS] |
This work is described in the following papers:
"GPU Computing" John D. Owens, Mike Houston, David Luebke, Simon Green, John E. Stone, and James C. Phillips. Proceedings of the IEEE, 96:879-899, 2008. http://dx.doi.org/10.1109/JPROC.2008.917757
"Accelerating Molecular Modeling Applications with Graphics Processors" John E. Stone, James C. Phillips, Peter L. Freddolino, David J. Hardy, Leonardo G. Trabuco, and Klaus Schulten. Journal of Computational Chemistry, 28:2618-2640, 2007. http://dx.doi.org/10.1002/jcc.20829
Definition in file CUDAVolCPotential.cu.
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Definition at line 126 of file CUDAVolCPotential.cu. |
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Definition at line 109 of file CUDAVolCPotential.cu. Referenced by cenergy, and cudaenergythread. |
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Definition at line 110 of file CUDAVolCPotential.cu. Referenced by cudaenergythread. |
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Value: { cudaError_t err; \ if ((err = cudaGetLastError()) != cudaSuccess) { \ printf("CUDA error: %s, %s line %d\n", cudaGetErrorString(err), __FILE__, __LINE__); \ printf("Thread aborting...\n"); \ return NULL; }} Definition at line 60 of file CUDAVolCPotential.cu. Referenced by cudaenergythread. |
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Definition at line 130 of file CUDAVolCPotential.cu. Referenced by vmd_cuda_vol_cpotential. |
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Definition at line 210 of file CUDAVolCPotential.cu. Referenced by cudaenergythread, and vmd_cuda_vol_cpotential. |
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Definition at line 211 of file CUDAVolCPotential.cu. Referenced by cudaenergythread, and vmd_cuda_vol_cpotential. |
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Definition at line 73 of file CUDAVolCPotential.cu. Referenced by copyatomstoconstbuf, and cudaenergythread. |
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Definition at line 208 of file CUDAVolCPotential.cu. |
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Definition at line 209 of file CUDAVolCPotential.cu. |
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Definition at line 107 of file CUDAVolCPotential.cu. Referenced by cenergy, and cudaenergythread. |
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Definition at line 108 of file CUDAVolCPotential.cu. Referenced by cudaenergythread. |
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Definition at line 135 of file CUDAVolCPotential.cu. References atominfo, BLOCKSIZEX, gridspacing, and UNROLLX. |
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Definition at line 213 of file CUDAVolCPotential.cu. |
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Definition at line 74 of file CUDAVolCPotential.cu. Referenced by cenergy, and copyatomstoconstbuf. |