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fix_gravity_cuda.cpp
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Wed, Jul 3, 22:22

fix_gravity_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 <cstdio>
#include <cstring>
#include <cstdlib>
#include "fix_gravity_cuda.h"
#include "fix_gravity_cuda_cu.h"
#include "atom.h"
#include "update.h"
#include "domain.h"
#include "respa.h"
#include "cuda.h"
#include "cuda_modify_flags.h"
#include "math_const.h"
#include "error.h"
using namespace LAMMPS_NS;
using namespace FixConst;
using namespace FixConstCuda;
using namespace MathConst;
enum{CHUTE,SPHERICAL,GRADIENT,VECTOR};
/* ---------------------------------------------------------------------- */
FixGravityCuda::FixGravityCuda(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 < 5) error->all(FLERR,"Illegal fix gravity command");
time_depend = 1;
magnitude = atof(arg[3]);
if (strcmp(arg[4],"chute") == 0) {
if (narg != 6) error->all(FLERR,"Illegal fix gravity command");
style = CHUTE;
phi = 0.0;
theta = 180.0 - atof(arg[5]);
} else if (strcmp(arg[4],"spherical") == 0) {
if (narg != 7) error->all(FLERR,"Illegal fix gravity command");
style = SPHERICAL;
phi = atof(arg[5]);
theta = atof(arg[6]);
} else if (strcmp(arg[4],"gradient") == 0) {
if (narg != 9) error->all(FLERR,"Illegal fix gravity command");
style = GRADIENT;
phi = atof(arg[5]);
theta = atof(arg[6]);
phigrad = atof(arg[7]);
thetagrad = atof(arg[8]);
} else if (strcmp(arg[4],"vector") == 0) {
if (narg != 8) error->all(FLERR,"Illegal fix gravity command");
style = VECTOR;
xdir = atof(arg[5]);
ydir = atof(arg[6]);
zdir = atof(arg[7]);
} else error->all(FLERR,"Illegal fix gravity command");
degree2rad = MY_PI/180.0;
if (style == CHUTE || style == SPHERICAL || style == GRADIENT) {
if (domain->dimension == 3) {
xgrav = sin(degree2rad * theta) * cos(degree2rad * phi);
ygrav = sin(degree2rad * theta) * sin(degree2rad * phi);
zgrav = cos(degree2rad * theta);
} else {
xgrav = sin(degree2rad * theta);
ygrav = cos(degree2rad * theta);
zgrav = 0.0;
}
} else if (style == VECTOR) {
if (domain->dimension == 3) {
double length = sqrt(xdir*xdir + ydir*ydir + zdir*zdir);
xgrav = xdir/length;
ygrav = ydir/length;
zgrav = zdir/length;
} else {
double length = sqrt(xdir*xdir + ydir*ydir);
xgrav = xdir/length;
ygrav = ydir/length;
zgrav = 0.0;
}
}
time_origin = update->ntimestep;
}
/* ---------------------------------------------------------------------- */
int FixGravityCuda::setmask()
{
int mask = 0;
mask |= POST_FORCE_CUDA;
return mask;
}
/* ---------------------------------------------------------------------- */
void FixGravityCuda::init()
{
dt = update->dt;
xacc = magnitude*xgrav;
yacc = magnitude*ygrav;
zacc = magnitude*zgrav;
}
/* ---------------------------------------------------------------------- */
void FixGravityCuda::setup(int vflag)
{
MYDBG( printf("# CUDA: FixGravityCuda::setup\n"); )
if (strstr(update->integrate_style,"verlet"))
{
Cuda_FixGravityCuda_Init(&cuda->shared_data);
cuda->cu_f->upload();
post_force(vflag);
cuda->cu_f->download();
}
else {
}
MYDBG( printf("# CUDA: FixGravityCuda::setup done\n"); )
}
/* ---------------------------------------------------------------------- */
void FixGravityCuda::post_force(int vflag)
{
// update direction of gravity vector if gradient style
if (style == GRADIENT) {
if (domain->dimension == 3) {
double phi_current = degree2rad *
(phi + (update->ntimestep - time_origin)*dt*phigrad*360.0);
double theta_current = degree2rad *
(theta + (update->ntimestep - time_origin)*dt*thetagrad*360.0);
xgrav = sin(theta_current) * cos(phi_current);
ygrav = sin(theta_current) * sin(phi_current);
zgrav = cos(theta_current);
} else {
double theta_current = degree2rad *
(theta + (update->ntimestep - time_origin)*dt*thetagrad*360.0);
xgrav = sin(theta_current);
ygrav = cos(theta_current);
}
xacc = magnitude*xgrav;
yacc = magnitude*ygrav;
zacc = magnitude*zgrav;
}
MYDBG( printf("# CUDA: FixGravityCuda::postforce start\n"); )
Cuda_FixGravityCuda_PostForce(&cuda->shared_data, groupbit, xacc,yacc,zacc);
}

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