jianmu
/
lammps
forked from lijiext/lammps
1
0
Fork 0
Code Issues Pull Requests Packages Projects Releases Wiki Activity

pppm_kokkos: remove unused variables

This commit is contained in:
Dan Ibanez 2017-01-26 10:18:45 -07:00
parent 2023fa28e0
commit b5d622c6a3
1 changed files with 3 additions and 21 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

24
src/KOKKOS/pppm_kokkos.cpp
View File

@ -374,7 +374,6 @@ void PPPMKokkos<DeviceType>::setup()
error->all(FLERR,"Incorrect boundaries with slab PPPM");
}
int i,j,k,n;
double *prd;
// volume-dependent factors
@ -417,10 +416,6 @@ void PPPMKokkos<DeviceType>::setup()
DeviceType::fence();
copymode = 0;
// virial coefficients
double sqk,vterm;
// merge three outer loops into one for better threading
numz_fft = nzhi_fft-nzlo_fft + 1;
@ -615,7 +610,7 @@ void PPPMKokkos<DeviceType>::setup_grid()
template<class DeviceType>
void PPPMKokkos<DeviceType>::compute(int eflag, int vflag)
{
int i,j;
int i;
// set energy/virial flags
// invoke allocate_peratom() if needed for first time
@ -977,7 +972,6 @@ void PPPMKokkos<DeviceType>::set_grid_global()
// fluid-occupied volume used to estimate real-space error
// zprd used rather than zprd_slab
double h;
bigint natoms = atomKK->natoms;
if (!gewaldflag) {
@ -1639,9 +1633,6 @@ void PPPMKokkos<DeviceType>::operator()(TagPPPM_particle_map, const int &i) cons
template<class DeviceType>
void PPPMKokkos<DeviceType>::make_rho()
{
int l,m,n,nx,ny,nz,mx,my,mz;
FFT_SCALAR dx,dy,dz,x0,y0,z0;
// clear 3d density array
//memset(&(density_brick(nzlo_out,nylo_out,nxlo_out)),0,
@ -1848,8 +1839,7 @@ void PPPMKokkos<DeviceType>::poisson()
template<class DeviceType>
void PPPMKokkos<DeviceType>::poisson_ik()
{
int i,j,k,n;
double eng;
int j;
// transform charge density (r -> k)
@ -1880,7 +1870,6 @@ void PPPMKokkos<DeviceType>::poisson_ik()
for (j = 0; j < 6; j++) virial[j] += ev.v[j];
energy += ev.ecoul;
} else {
n = 0;
copymode = 1;
Kokkos::parallel_reduce(Kokkos::RangePolicy<DeviceType, TagPPPM_poisson_ik3>(0,nfft),*this,ev);
DeviceType::fence();
@ -2217,8 +2206,6 @@ void PPPMKokkos<DeviceType>::operator()(TagPPPM_poisson_ik_triclinic6, const int
template<class DeviceType>
void PPPMKokkos<DeviceType>::poisson_peratom()
{
int i,j,k,n;
// merge three outer loops into one for better threading
numz_inout = (nzhi_in-nzlo_out)-(nzlo_in-nzlo_out) + 1;
@ -2570,22 +2557,17 @@ KOKKOS_INLINE_FUNCTION
void PPPMKokkos<DeviceType>::operator()(TagPPPM_fieldforce_ik, const int &i) const
{
int l,m,n,nx,ny,nz,mx,my,mz;
FFT_SCALAR dx,dy,dz,x0,y0,z0;
FFT_SCALAR x0,y0,z0;
FFT_SCALAR ekx,eky,ekz;
nx = d_part2grid(i,0);
ny = d_part2grid(i,1);
nz = d_part2grid(i,2);
dx = nx+shiftone - (x(i,0)-boxlo[0])*delxinv;
dy = ny+shiftone - (x(i,1)-boxlo[1])*delyinv;
dz = nz+shiftone - (x(i,2)-boxlo[2])*delzinv;
nz -= nzlo_out;
ny -= nylo_out;
nx -= nxlo_out;
//compute_rho1d(i,dx,dy,dz); // hasn't changed from make_rho
ekx = eky = ekz = ZEROF;
for (n = nlower; n <= nupper; n++) {
mz = n+nz;