Page Menu
Home
c4science
Search
Configure Global Search
Log In
Files
F77842033
fix_freeze_cuda.cpp
No One
Temporary
Actions
Download File
Edit File
Delete File
View Transforms
Subscribe
Mute Notifications
Award Token
Subscribers
None
File Metadata
Details
File Info
Storage
Attached
Created
Fri, Aug 16, 17:55
Size
3 KB
Mime Type
text/x-c
Expires
Sun, Aug 18, 17:55 (2 d)
Engine
blob
Format
Raw Data
Handle
19930636
Attached To
rLAMMPS lammps
fix_freeze_cuda.cpp
View Options
/* ----------------------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
Original Version:
http://lammps.sandia.gov, Sandia National Laboratories
Steve Plimpton, sjplimp@sandia.gov
See the README file in the top-level LAMMPS directory.
-----------------------------------------------------------------------
USER-CUDA Package and associated modifications:
https://sourceforge.net/projects/lammpscuda/
Christian Trott, christian.trott@tu-ilmenau.de
Lars Winterfeld, lars.winterfeld@tu-ilmenau.de
Theoretical Physics II, University of Technology Ilmenau, Germany
See the README file in the USER-CUDA directory.
This software is distributed under the GNU General Public License.
------------------------------------------------------------------------- */
#include <cstring>
#include <cstdlib>
#include "fix_freeze_cuda.h"
#include "fix_freeze_cuda_cu.h"
#include "atom.h"
#include "update.h"
#include "respa.h"
#include "error.h"
#include "cuda.h"
#include "memory.h"
#include "modify.h"
#include "cuda_modify_flags.h"
using namespace LAMMPS_NS;
/* ---------------------------------------------------------------------- */
FixFreezeCuda::FixFreezeCuda(LAMMPS *lmp, int narg, char **arg) :
Fix(lmp, narg, arg)
{
cuda = lmp->cuda;
if(cuda == NULL)
error->all(FLERR,"You cannot use a /cuda class, without activating 'cuda' acceleration. Provide '-c on' as command-line argument to LAMMPS..");
if (narg != 3) error->all(FLERR,"Illegal fix freeze command");
if (!atom->torque_flag)
error->all(FLERR,"Fix freeze requires atom attribute torque");
vector_flag = 1;
size_vector = 3;
global_freq = 1;
extvector = 1;
force_flag = 0;
foriginal[0] = foriginal[1] = foriginal[2] = 0.0;
cu_foriginal=NULL;
}
/* ---------------------------------------------------------------------- */
int FixFreezeCuda::setmask()
{
int mask = 0;
mask |= POST_FORCE_CUDA;
mask |= THERMO_ENERGY_CUDA;
return mask;
}
/* ---------------------------------------------------------------------- */
void FixFreezeCuda::init()
{
if(not cu_foriginal)
cu_foriginal = new cCudaData<double, F_FLOAT, x> (foriginal,3);
int count = 0;
for (int i = 0; i < modify->nfix; i++)
if (strcmp(modify->fix[i]->style,"freeze") == 0) count++;
if (count > 1) error->all(FLERR,"More than one fix freeze");
}
/* ---------------------------------------------------------------------- */
void FixFreezeCuda::setup(int vflag)
{
MYDBG( printf("# CUDA: FixFreezeCuda::setup\n"); )
if (strstr(update->integrate_style,"verlet"))
{
Cuda_FixFreezeCuda_Init(&cuda->shared_data);
cuda->cu_f->upload();
post_force(vflag);
cuda->cu_f->download();
}
MYDBG( printf("# CUDA: FixFreezeCuda::setup done\n"); )
}
/* ---------------------------------------------------------------------- */
/* ---------------------------------------------------------------------- */
void FixFreezeCuda::post_force(int vflag)
{
MYDBG( printf("# CUDA: FixFreezeCuda::postforce start\n"); )
force_flag = 0;
cu_foriginal->memset_device(0);
Cuda_FixFreezeCuda_PostForce(&cuda->shared_data, groupbit, (F_FLOAT*) cu_foriginal->dev_data());
cu_foriginal->download();
}
/* ---------------------------------------------------------------------- */
/* ----------------------------------------------------------------------
return components of total force on fix group before force was changed
------------------------------------------------------------------------- */
double FixFreezeCuda::compute_vector(int n)
{
// only sum across procs one time
if (force_flag == 0) {
MPI_Allreduce(foriginal,foriginal_all,3,MPI_DOUBLE,MPI_SUM,world);
force_flag = 1;
}
return foriginal_all[n+1];
}
Event Timeline
Log In to Comment