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/*
* diffraction-gpu.c
*
* Calculate diffraction patterns by Fourier methods (GPU version)
*
* (c) 2006-2010 Thomas White <taw@physics.org>
*
* Part of CrystFEL - crystallography with a FEL
*
*/
#include <stdlib.h>
#include <math.h>
#include <stdio.h>
#include <string.h>
#include <complex.h>
#include <CL/cl.h>
#include "image.h"
#include "utils.h"
#include "cell.h"
#include "diffraction.h"
#include "sfac.h"
#define SAMPLING (5)
#define BWSAMPLING (10)
#define BANDWIDTH (1.0 / 100.0)
static cl_device_id get_first_dev(cl_context ctx)
{
cl_device_id dev;
cl_int r;
r = clGetContextInfo(ctx, CL_CONTEXT_DEVICES, sizeof(dev), &dev, NULL);
if ( r != CL_SUCCESS ) {
ERROR("Couldn't get device\n");
return 0;
}
return dev;
}
static void show_build_log(cl_program prog, cl_device_id dev)
{
cl_int r;
char log[4096];
size_t s;
r = clGetProgramBuildInfo(prog, dev, CL_PROGRAM_BUILD_LOG, 4096, log,
&s);
STATUS("%s\n", log);
}
static cl_program load_program(const char *filename, cl_context ctx,
cl_device_id dev, cl_int *err)
{
FILE *fh;
cl_program prog;
char *source;
size_t len;
cl_int r;
fh = fopen(filename, "r");
if ( fh == NULL ) {
ERROR("Couldn't open '%s'\n", filename);
*err = CL_INVALID_PROGRAM;
return 0;
}
source = malloc(16384);
len = fread(source, 1, 16383, fh);
fclose(fh);
source[len] = '\0';
prog = clCreateProgramWithSource(ctx, 1, (const char **)&source,
NULL, err);
if ( *err != CL_SUCCESS ) {
ERROR("Couldn't load source\n");
return 0;
}
r = clBuildProgram(prog, 0, NULL, "-Werror", NULL, NULL);
if ( r != CL_SUCCESS ) {
ERROR("Couldn't build program\n");
show_build_log(prog, dev);
*err = r;
return 0;
}
*err = CL_SUCCESS;
return prog;
}
void get_diffraction_gpu(struct image *image, int na, int nb, int nc,
int no_sfac)
{
cl_uint nplat;
cl_platform_id platforms[8];
cl_context_properties prop[3];
cl_context ctx;
cl_int err;
cl_command_queue cq;
cl_program prog;
cl_device_id dev;
cl_kernel kern;
double ax, ay, az;
double bx, by, bz;
double cx, cy, cz;
double a, b, c, d;
float kc;
const size_t dims[2] = {1024, 1024};
cl_mem sfacs;
size_t sfac_size;
float *sfac_ptr;
cl_mem tt;
size_t tt_size;
float *tt_ptr;
int x, y;
cl_float16 cell;
cl_mem diff;
size_t diff_size;
float *diff_ptr;
int i;
if ( image->molecule == NULL ) return;
/* Generate structure factors if required */
if ( !no_sfac ) {
if ( image->molecule->reflections == NULL ) {
get_reflections_cached(image->molecule,
ph_lambda_to_en(image->lambda));
}
}
cell_get_cartesian(image->molecule->cell, &ax, &ay, &az,
&bx, &by, &bz,
&cx, &cy, &cz);
cell[0] = ax; cell[1] = ay; cell[2] = az;
cell[3] = bx; cell[4] = by; cell[5] = bz;
cell[6] = cx; cell[7] = cy; cell[8] = cz;
cell_get_parameters(image->molecule->cell,
&a, &b, &c, &d, &d, &d);
STATUS("Particle size = %i x %i x %i (=%5.2f x %5.2f x %5.2f nm)\n",
na, nb, nc, na*a/1.0e-9, nb*b/1.0e-9, nc*c/1.0e-9);
err = clGetPlatformIDs(8, platforms, &nplat);
if ( err != CL_SUCCESS ) {
ERROR("Couldn't get platform IDs: %i\n", err);
return;
}
STATUS("%i platforms\n", nplat);
prop[0] = CL_CONTEXT_PLATFORM;
prop[1] = (cl_context_properties)platforms[0];
prop[2] = 0;
ctx = clCreateContextFromType(prop, CL_DEVICE_TYPE_GPU, NULL, NULL, &err);
if ( err != CL_SUCCESS ) {
ERROR("Couldn't create OpenCL context: %i\n", err);
switch ( err ) {
case CL_INVALID_PLATFORM :
ERROR("Invalid platform\n");
break;
case CL_OUT_OF_HOST_MEMORY :
ERROR("Out of memory\n");
break;
}
return;
}
dev = get_first_dev(ctx);
cq = clCreateCommandQueue(ctx, dev, 0, &err);
if ( err != CL_SUCCESS ) {
ERROR("Couldn't create OpenCL command queue\n");
return;
}
/* Create buffer for the picture */
diff_size = image->width*image->height*sizeof(cl_float)*2; /* complex */
diff = clCreateBuffer(ctx, CL_MEM_READ_WRITE, diff_size, NULL, &err);
if ( err != CL_SUCCESS ) {
ERROR("Couldn't allocate diffraction memory\n");
return;
}
/* Create a single-precision version of the scattering factors */
sfac_size = IDIM*IDIM*sizeof(cl_float)*2; /* complex */
sfac_ptr = malloc(IDIM*IDIM*sizeof(cl_float)*2);
for ( i=0; i<IDIM*IDIM; i++ ) {
sfac_ptr[2*i+0] = creal(image->molecule->reflections[i]);
sfac_ptr[2*i+1] = cimag(image->molecule->reflections[i]);
}
sfacs = clCreateBuffer(ctx, CL_MEM_READ_WRITE | CL_MEM_USE_HOST_PTR,
sfac_size, sfac_ptr, &err);
if ( err != CL_SUCCESS ) {
ERROR("Couldn't allocate sfac memory\n");
return;
}
tt_size = image->width*image->height*sizeof(cl_float);
tt = clCreateBuffer(ctx, CL_MEM_READ_WRITE, tt_size, NULL, &err);
if ( err != CL_SUCCESS ) {
ERROR("Couldn't allocate twotheta memory\n");
return;
}
prog = load_program(DATADIR"/crystfel/diffraction.cl", ctx, dev, &err);
if ( err != CL_SUCCESS ) {
return;
}
kern = clCreateKernel(prog, "diffraction", &err);
if ( err != CL_SUCCESS ) {
ERROR("Couldn't create kernel\n");
return;
}
/* Calculate wavelength */
kc = 1.0/image->lambda; /* Centre value */
clSetKernelArg(kern, 0, sizeof(cl_mem), &diff);
clSetKernelArg(kern, 1, sizeof(cl_mem), &tt);
clSetKernelArg(kern, 2, sizeof(cl_float), &kc);
clSetKernelArg(kern, 3, sizeof(cl_int), &image->width);
clSetKernelArg(kern, 4, sizeof(cl_float), &image->det.panels[0].cx);
clSetKernelArg(kern, 5, sizeof(cl_float), &image->det.panels[0].cy);
clSetKernelArg(kern, 6, sizeof(cl_float), &image->resolution);
clSetKernelArg(kern, 7, sizeof(cl_float), &image->camera_len);
clSetKernelArg(kern, 8, sizeof(cl_float16), &cell);
clSetKernelArg(kern, 9, sizeof(cl_mem), &sfacs);
STATUS("Running...\n");
err = clEnqueueNDRangeKernel(cq, kern, 2, NULL, dims, NULL,
0, NULL, NULL);
if ( err != CL_SUCCESS ) {
ERROR("Couldn't enqueue kernel\n");
return;
}
diff_ptr = clEnqueueMapBuffer(cq, diff, CL_TRUE, CL_MAP_READ, 0,
diff_size, 0, NULL, NULL, &err);
if ( err != CL_SUCCESS ) {
ERROR("Couldn't map sfac buffer\n");
return;
}
tt_ptr = clEnqueueMapBuffer(cq, tt, CL_TRUE, CL_MAP_READ, 0,
tt_size, 0, NULL, NULL, &err);
if ( err != CL_SUCCESS ) {
ERROR("Couldn't map tt buffer\n");
return;
}
STATUS("Done!\n");
image->sfacs = calloc(image->width * image->height,
sizeof(double complex));
image->twotheta = calloc(image->width * image->height, sizeof(double));
for ( x=0; x<image->width; x++ ) {
for ( y=0; y<image->height; y++ ) {
float re, im, tt;
re = diff_ptr[2*(x + image->width*y)+0];
im = diff_ptr[2*(x + image->width*y)+1];
tt = tt_ptr[x + image->width*y];
image->sfacs[x + image->width*y] = re + I*im;
image->twotheta[x + image->width*y] = tt;
}
}
clReleaseProgram(prog);
clReleaseMemObject(sfacs);
clReleaseCommandQueue(cq);
clReleaseContext(ctx);
}
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