void LBM::geometry_file_in_VTK( ){
char buffer1[256];
int x,y,z;
snprintf(buffer1, sizeof(buffer1), "LBM2_%s_geometry.vtk", case_name.c_str());
ofstream VTK_file(buffer1);
VTK_file<<"# vtk DataFile Version 3.0"<< endl;
VTK_file<<"vtk output"<< endl;
VTK_file<<"ASCII"<< endl;
int next_line_counter=0;
//coordinates
VTK_file<<"DATASET STRUCTURED_GRID"<< endl;
VTK_file<<"DIMENSIONS "<< lx <<" "<< ly <<" " << lz << endl;
VTK_file<<"POINTS " << lx*ly*lz <<" " STRINGIFY_MACRO(FLOATING) << endl;
for (z = 0 ; z< lz ; ++z)
for (y = 0 ; y< ly ; ++y)
for (x = 0 ; x< lx ; ++x){
VTK_file << x << "\t" << y << "\t" << "\t" << z << "\t";
++next_line_counter;
if(next_line_counter%9==0)
VTK_file << endl;
}
VTK_file<< endl << endl;
//print Obstacles
VTK_file<<"POINT_DATA "<< lx*ly*lz << endl;
VTK_file<<"SCALARS Obstacles int"<< endl;
VTK_file<<"LOOKUP_TABLE default"<< endl;
next_line_counter=0;
for (z = 0 ; z< lz ; ++z){
for (y = 0 ; y< ly ; ++y){
for (x = 0 ; x< lx ; ++x){
//.........if obstacle node, nothing is to do ...
VTK_file << obstacles[index(z,y,x)] << "\t";
++next_line_counter;
if(next_line_counter%9==0)
VTK_file << endl;
}
}
}
VTK_file<< endl << endl;
VTK_file.close();
cout << "geometry file exported!" << endl;
}
/*! \brief Compiles nbnxn kernels for OpenCL GPU given by \p mygpu
*
* With OpenCL, a call to this function must precede nbnxn_gpu_init().
*
* Doing bFastGen means only the requested kernels are compiled,
* significantly reducing the total compilation time. If false, all
* OpenCL kernels are compiled.
*
* A fatal error results if compilation fails.
*
* \param[inout] nb Manages OpenCL non-bonded calculations; compiled kernels returned in dev_info members
*
* Does not throw
*/
void
nbnxn_gpu_compile_kernels(gmx_nbnxn_ocl_t *nb)
{
char gpu_err_str[STRLEN];
gmx_bool bFastGen = TRUE;
cl_device_id device_id;
cl_context context;
cl_program program;
char runtime_consts[256];
if (getenv("GMX_OCL_NOFASTGEN") != NULL)
{
bFastGen = FALSE;
}
device_id = nb->dev_info->ocl_gpu_id.ocl_device_id;
context = nb->dev_rundata->context;
/* Here we pass macros and static const int variables defined in include
* files outside the nbnxn_ocl as macros, to avoid including those files
* in the JIT compilation that happens at runtime.
*/
sprintf(runtime_consts,
"-DCENTRAL=%d -DNBNXN_GPU_NCLUSTER_PER_SUPERCLUSTER=%d -DNBNXN_GPU_CLUSTER_SIZE=%d -DNBNXN_GPU_JGROUP_SIZE=%d -DNBNXN_AVOID_SING_R2_INC=%s %s",
CENTRAL, /* Defined in ishift.h */
c_nbnxnGpuNumClusterPerSupercluster, /* Defined in nbnxn_pairlist.h */
c_nbnxnGpuClusterSize, /* Defined in nbnxn_pairlist.h */
c_nbnxnGpuJgroupSize, /* Defined in nbnxn_pairlist.h */
STRINGIFY_MACRO(NBNXN_AVOID_SING_R2_INC) /* Defined in nbnxn_consts.h */
/* NBNXN_AVOID_SING_R2_INC passed as string to avoid
floating point representation problems with sprintf */
, (nb->bPrefetchLjParam) ? "-DIATYPE_SHMEM" : ""
);
/* Need to catch std::bad_alloc here and during compilation string
handling. */
try
{
std::string defines_for_kernel_types =
make_defines_for_kernel_types(bFastGen,
nb->nbparam->eeltype,
nb->nbparam->vdwtype);
cl_int cl_error = ocl_compile_program(default_source,
auto_vendor_kernels,
defines_for_kernel_types.c_str(),
gpu_err_str,
context,
device_id,
nb->dev_info->vendor_e,
&program,
runtime_consts);
if (cl_error != CL_SUCCESS)
{
gmx_fatal(FARGS, "Failed to compile NBNXN kernels for GPU #%s: %s",
nb->dev_info->device_name,
gpu_err_str);
}
}
GMX_CATCH_ALL_AND_EXIT_WITH_FATAL_ERROR;
nb->dev_rundata->program = program;
}
const char* __asan_default_options() {
return STRINGIFY_MACRO(ASAN_DEFAULT_OPTIONS);
}