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fix_enforce2d_cuda.cpp
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Thu, Jul 4, 22:16

fix_enforce2d_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.
------------------------------------------------------------------------- */
/* ----------------------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
http://lammps.sandia.gov, Sandia National Laboratories
Steve Plimpton, sjplimp@sandia.gov
Copyright (2003) Sandia Corporation. Under the terms of Contract
DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
certain rights in this software. This software is distributed under
the GNU General Public License.
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#include <cstring>
#include "fix_enforce2d_cuda.h"
#include "fix_enforce2d_cuda_cu.h"
#include "atom.h"
#include "update.h"
#include "domain.h"
#include "respa.h"
#include "error.h"
#include "cuda.h"
#include "cuda_modify_flags.h"
using namespace LAMMPS_NS;
/* ---------------------------------------------------------------------- */
FixEnforce2DCuda::FixEnforce2DCuda(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 enforce2d command");
}
/* ---------------------------------------------------------------------- */
int FixEnforce2DCuda::setmask()
{
int mask = 0;
mask |= POST_FORCE_CUDA;
mask |= POST_FORCE_RESPA;
mask |= MIN_POST_FORCE_CUDA;
return mask;
}
/* ---------------------------------------------------------------------- */
void FixEnforce2DCuda::init()
{
if (domain->dimension == 3)
error->all(FLERR,"Cannot use fix enforce2d/cuda with 3d simulation");
if (atom->omega_flag)
error->warning(FLERR,"Enforce2d/cuda does not support omega_flag on gpu yet. Will be handled on cpu.");
if (atom->angmom_flag)
error->warning(FLERR,"Enforce2d/cuda does not support angmom_flag (angular momentum) on gpu yet. Will be handled on cpu.");
if (atom->torque_flag)
error->warning(FLERR,"Enforce2d/cuda does not support torque_flag on gpu yet. Will be handled on cpu.");
}
/* ---------------------------------------------------------------------- */
void FixEnforce2DCuda::setup(int vflag)
{
if (strstr(update->integrate_style,"verlet"))
{
Cuda_FixEnforce2dCuda_Init(&cuda->shared_data);
cuda->cu_f->upload();
cuda->cu_v->upload();
post_force(vflag);
cuda->cu_f->download();
cuda->cu_v->download();
}
else {
int nlevels_respa = ((Respa *) update->integrate)->nlevels;
for (int ilevel = 0; ilevel < nlevels_respa; ilevel++) {
((Respa *) update->integrate)->copy_flevel_f(ilevel);
post_force_respa(vflag,ilevel,0);
((Respa *) update->integrate)->copy_f_flevel(ilevel);
}
}
}
/* ---------------------------------------------------------------------- */
void FixEnforce2DCuda::min_setup(int vflag)
{
post_force(vflag);
}
/* ---------------------------------------------------------------------- */
void FixEnforce2DCuda::post_force(int vflag)
{
Cuda_FixEnforce2dCuda_PostForce(&cuda->shared_data, groupbit);
int *mask = atom->mask;
int nlocal = atom->nlocal;
if (igroup == atom->firstgroup) nlocal = atom->nfirst;
if (atom->omega_flag) {
double **omega = atom->omega;
for (int i = 0; i < nlocal; i++)
if (mask[i] & groupbit) {
omega[i][0] = 0.0;
omega[i][1] = 0.0;
}
}
if (atom->angmom_flag) {
double **angmom = atom->angmom;
for (int i = 0; i < nlocal; i++)
if (mask[i] & groupbit) {
angmom[i][0] = 0.0;
angmom[i][1] = 0.0;
}
}
if (atom->torque_flag) {
double **torque = atom->torque;
for (int i = 0; i < nlocal; i++)
if (mask[i] & groupbit) {
torque[i][0] = 0.0;
torque[i][1] = 0.0;
}
}
}
/* ---------------------------------------------------------------------- */
void FixEnforce2DCuda::post_force_respa(int vflag, int ilevel, int iloop)
{
post_force(vflag);
}
/* ---------------------------------------------------------------------- */
void FixEnforce2DCuda::min_post_force(int vflag)
{
post_force(vflag);
}

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