ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa

Browse Source
This commit is contained in:
sjplimp
2015-10-30 20:04:06 +00:00
parent 0aa77408f8
commit 354e20f431
1219 changed files with 10111 additions and 10111 deletions
Download Patch File Download Diff File Expand all files Collapse all files

28
src/GPU/pair_beck_gpu.cpp
View File

@ -2,12 +2,12 @@
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
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.
------------------------------------------------------------------------- */
@ -15,9 +15,9 @@
Contributing author: Trung Dac Nguyen (ORNL)
------------------------------------------------------------------------- */
#include "math.h"
#include "stdio.h"
#include "stdlib.h"
#include <math.h>
#include <stdio.h>
#include <stdlib.h>
#include "pair_beck_gpu.h"
#include "atom.h"
#include "atom_vec.h"
@ -32,7 +32,7 @@
#include "universe.h"
#include "update.h"
#include "domain.h"
#include "string.h"
#include <string.h>
#include "gpu_extra.h"
#include "math_special.h"
@ -54,7 +54,7 @@ int ** beck_gpu_compute_n(const int ago, const int inum,
const bool eatom, const bool vatom, int &host_start,
int **ilist, int **jnum,
const double cpu_time, bool &success);
void beck_gpu_compute(const int ago, const int inum, const int nall,
void beck_gpu_compute(const int ago, const int inum, const int nall,
double **host_x, int *host_type, int *ilist, int *numj,
int **firstneigh, const bool eflag, const bool vflag,
const bool eatom, const bool vatom, int &host_start,
@ -68,7 +68,7 @@ PairBeckGPU::PairBeckGPU(LAMMPS *lmp) : PairBeck(lmp), gpu_mode(GPU_FORCE)
respa_enable = 0;
reinitflag = 0;
cpu_time = 0.0;
GPU_EXTRA::gpu_ready(lmp->modify, lmp->error);
GPU_EXTRA::gpu_ready(lmp->modify, lmp->error);
}
/* ----------------------------------------------------------------------
@ -86,10 +86,10 @@ void PairBeckGPU::compute(int eflag, int vflag)
{
if (eflag || vflag) ev_setup(eflag,vflag);
else evflag = vflag_fdotr = 0;
int nall = atom->nlocal + atom->nghost;
int inum, host_start;
bool success = true;
int *ilist, *numneigh, **firstneigh;
if (gpu_mode != GPU_FORCE) {
@ -98,7 +98,7 @@ void PairBeckGPU::compute(int eflag, int vflag)
atom->x, atom->type, domain->sublo,
domain->subhi, atom->tag, atom->nspecial,
atom->special, eflag, vflag, eflag_atom,
vflag_atom, host_start,
vflag_atom, host_start,
&ilist, &numneigh, cpu_time, success);
} else {
inum = list->inum;
@ -125,7 +125,7 @@ void PairBeckGPU::compute(int eflag, int vflag)
void PairBeckGPU::init_style()
{
if (force->newton_pair)
if (force->newton_pair)
error->all(FLERR,"Cannot use newton pair with beck/gpu pair style");
// Repeat cutsq calculation because done after call to init_style
@ -171,7 +171,7 @@ double PairBeckGPU::memory_usage()
/* ---------------------------------------------------------------------- */
void PairBeckGPU::cpu_compute(int start, int inum, int eflag, int vflag,
void PairBeckGPU::cpu_compute(int start, int inum, int eflag, int vflag,
int *ilist, int *numneigh, int **firstneigh) {
int i,j,ii,jj,jnum,itype,jtype;
double xtmp,ytmp,ztmp,delx,dely,delz,evdwl,fpair;