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fix_viscous_cuda.cpp
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Thu, Nov 7, 13:20

fix_viscous_cuda.cpp
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/* ----------------------------------------------------------------------
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 <cmath>
#include <cstdlib>
#include <cstring>
#include "fix_viscous_cuda.h"
#include "fix_viscous_cuda_cu.h"
#include "atom.h"
#include "update.h"
#include "respa.h"
#include "error.h"
#include "cuda_modify_flags.h"
#include "cuda.h"
using namespace LAMMPS_NS;
/* ---------------------------------------------------------------------- */
FixViscousCuda::FixViscousCuda(LAMMPS *lmp, int narg, char **arg) :
FixViscous(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..");
cu_gamma=NULL;
}
/* ---------------------------------------------------------------------- */
FixViscousCuda::~FixViscousCuda()
{
delete cu_gamma;
}
/* ---------------------------------------------------------------------- */
int FixViscousCuda::setmask()
{
int mask = 0;
mask |= POST_FORCE_CUDA;
// mask |= POST_FORCE_RESPA;
// mask |= MIN_POST_FORCE;
return mask;
}
/* ---------------------------------------------------------------------- */
void FixViscousCuda::setup(int vflag)
{
if(not cu_gamma)
cu_gamma = new cCudaData<double, F_FLOAT, x> (gamma,atom->ntypes+1);
Cuda_FixViscousCuda_Init(&cuda->shared_data);
cu_gamma->upload();
// if (strcmp(update->integrate_style,"verlet/cuda") == 0)
post_force(vflag);
/* else {
((Respa *) update->integrate)->copy_flevel_f(nlevels_respa-1);
post_force_respa(vflag,nlevels_respa-1,0);
((Respa *) update->integrate)->copy_f_flevel(nlevels_respa-1);
}*/
}
/* ---------------------------------------------------------------------- */
void FixViscousCuda::min_setup(int vflag)
{
Cuda_FixViscousCuda_Init(&cuda->shared_data);
post_force(vflag);
}
/* ---------------------------------------------------------------------- */
void FixViscousCuda::post_force(int vflag)
{
// apply drag force to atoms in group
// direction is opposed to velocity vector
// magnitude depends on atom type
Cuda_FixViscousCuda_PostForce(&cuda->shared_data, groupbit,cu_gamma->dev_data());
}

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