106 lines
3.0 KiB
C++
106 lines
3.0 KiB
C++
/* ----------------------------------------------------------------------
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LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
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Original Version:
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http://lammps.sandia.gov, Sandia National Laboratories
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Steve Plimpton, sjplimp@sandia.gov
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See the README file in the top-level LAMMPS directory.
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-----------------------------------------------------------------------
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USER-CUDA Package and associated modifications:
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https://sourceforge.net/projects/lammpscuda/
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Christian Trott, christian.trott@tu-ilmenau.de
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Lars Winterfeld, lars.winterfeld@tu-ilmenau.de
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Theoretical Physics II, University of Technology Ilmenau, Germany
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See the README file in the USER-CUDA directory.
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This software is distributed under the GNU General Public License.
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------------------------------------------------------------------------- */
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#include <cmath>
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#include <cstdlib>
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#include <cstring>
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#include "fix_viscous_cuda.h"
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#include "fix_viscous_cuda_cu.h"
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#include "atom.h"
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#include "update.h"
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#include "respa.h"
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#include "error.h"
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#include "cuda_modify_flags.h"
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#include "cuda.h"
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using namespace LAMMPS_NS;
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using namespace FixConst;
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using namespace FixConstCuda;
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/* ---------------------------------------------------------------------- */
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FixViscousCuda::FixViscousCuda(LAMMPS *lmp, int narg, char **arg) :
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FixViscous(lmp, narg, arg)
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{
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cuda = lmp->cuda;
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if(cuda == NULL)
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error->all(FLERR,"You cannot use a /cuda class, without activating 'cuda' acceleration. Provide '-c on' as command-line argument to LAMMPS..");
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cu_gamma=NULL;
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}
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/* ---------------------------------------------------------------------- */
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FixViscousCuda::~FixViscousCuda()
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{
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delete cu_gamma;
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}
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/* ---------------------------------------------------------------------- */
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int FixViscousCuda::setmask()
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{
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int mask = 0;
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mask |= POST_FORCE_CUDA;
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// mask |= POST_FORCE_RESPA;
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// mask |= MIN_POST_FORCE;
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return mask;
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}
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/* ---------------------------------------------------------------------- */
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void FixViscousCuda::setup(int vflag)
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{
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if(not cu_gamma)
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cu_gamma = new cCudaData<double, F_FLOAT, x> (gamma,atom->ntypes+1);
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Cuda_FixViscousCuda_Init(&cuda->shared_data);
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cu_gamma->upload();
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// if (strcmp(update->integrate_style,"verlet/cuda") == 0)
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post_force(vflag);
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/* else {
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((Respa *) update->integrate)->copy_flevel_f(nlevels_respa-1);
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post_force_respa(vflag,nlevels_respa-1,0);
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((Respa *) update->integrate)->copy_f_flevel(nlevels_respa-1);
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}*/
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}
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/* ---------------------------------------------------------------------- */
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void FixViscousCuda::min_setup(int vflag)
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{
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Cuda_FixViscousCuda_Init(&cuda->shared_data);
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post_force(vflag);
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}
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/* ---------------------------------------------------------------------- */
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void FixViscousCuda::post_force(int vflag)
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{
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// apply drag force to atoms in group
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// direction is opposed to velocity vector
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// magnitude depends on atom type
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Cuda_FixViscousCuda_PostForce(&cuda->shared_data, groupbit,cu_gamma->dev_data());
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}
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