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recover compilation with -DLAMMPS_BIGBIG and fix whitespace and formatting issues

This commit is contained in:
Axel Kohlmeyer 2020-01-08 17:57:54 -05:00
parent c482a04f80
commit 514271c984
No known key found for this signature in database
GPG Key ID: D9B44E93BF0C375A
5 changed files with 21 additions and 21 deletions
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10
lib/gpu/lal_lj_tip4p_long.cpp
View File

@ -204,10 +204,10 @@ void LJTIP4PLongT::loop(const bool _eflag, const bool _vflag) {
GX=static_cast<int>(ceil(static_cast<double>(this->ans->inum())/
(BX/this->_threads_per_atom)));
this->k_pair.set_size(GX,BX);
if (vflag){
this->ansO.resize_ib(ainum*3);
if (vflag) {
this->ansO.resize_ib(ainum*3);
} else {
this->ansO.resize_ib(ainum);
this->ansO.resize_ib(ainum);
}
this->ansO.zero();
this->device->gpu->sync();
@ -229,8 +229,8 @@ void LJTIP4PLongT::loop(const bool _eflag, const bool _vflag) {
template <class numtyp, class acctyp>
void LJTIP4PLongT::copy_relations_data(int n, int* tag, int *map_array,
int map_size, int *sametag, int max_same, int ago){
void LJTIP4PLongT::copy_relations_data(int n, tagint *tag, int *map_array,
int map_size, int *sametag, int max_same, int ago) {
int nall = n;
const int hn_sz = n*4; // matrix size = col size * col number
hneight.resize_ib(hn_sz);

18
lib/gpu/lal_lj_tip4p_long.cu
View File

@ -11,7 +11,7 @@
//
// begin :
// email : thevsevak@gmail.com
// ***************************************************************************/
// ***************************************************************************
#ifdef NV_KERNEL
@ -29,12 +29,12 @@ texture<int2> q_tex;
#define q_tex q_
#endif
ucl_inline int atom_mapping(const __global int *map, int glob){
return map[glob];
ucl_inline int atom_mapping(const __global int *map, int glob) {
return map[glob];
}
ucl_inline int closest_image(int i, int j, const __global int* sametag,
const __global numtyp4 *restrict x_)
const __global numtyp4 *restrict x_)
{
if (j < 0) return j;
@ -66,7 +66,7 @@ ucl_inline int closest_image(int i, int j, const __global int* sametag,
ucl_inline void compute_newsite(int iO, int iH1, int iH2,
__global numtyp4 *xM, numtyp q,
numtyp alpha, const __global numtyp4 *restrict x_){
numtyp alpha, const __global numtyp4 *restrict x_) {
numtyp4 xO; fetch4(xO,iO,pos_tex);
numtyp4 xH1; fetch4(xH1,iH1,pos_tex);
numtyp4 xH2; fetch4(xH2,iH2,pos_tex);
@ -238,7 +238,7 @@ __kernel void k_lj_tip4p_newsite(const __global numtyp4 *restrict x_,
iO = i;
numtyp4 ix; fetch4(ix,i,pos_tex); //x_[i];
int itype = ix.w;
if (itype == typeO){
if (itype == typeO) {
int iH1, iH2, iO;
iH1 = hneigh[i*4 ];
iH2 = hneigh[i*4+1];
@ -404,7 +404,7 @@ __kernel void k_lj_tip4p_long(const __global numtyp4 *restrict x_,
fd.y = dely*force_coul;
fd.z = delz*force_coul;
if (itype == typeH) {
if (jtype == typeH){
if (jtype == typeH) {
virial[0] += delx*fd.x;
virial[1] += dely*fd.y;
virial[2] += delz*fd.z;
@ -438,7 +438,7 @@ __kernel void k_lj_tip4p_long(const __global numtyp4 *restrict x_,
vdi.y = xO.y*cO + xH1.y*cH + xH2.y*cH;
vdi.z = xO.z*cO + xH1.z*cH + xH2.z*cH;
//vdi.w = vdi.w;
if (jtype != typeH){
if (jtype != typeH) {
numtyp4 xjH1; fetch4(xjH1,jH1,pos_tex);
numtyp4 xjH2; fetch4(xjH2,jH2,pos_tex);
numtyp4 xjO; fetch4(xjO,jO,pos_tex);
@ -565,4 +565,4 @@ __kernel void k_lj_tip4p_long(const __global numtyp4 *restrict x_,
} // if ii
}
__kernel void k_lj_tip4p_long_fast(){}
__kernel void k_lj_tip4p_long_fast() {}

4
lib/gpu/lal_lj_tip4p_long.h
View File

@ -61,8 +61,8 @@ public:
double host_memory_usage() const;
/// Copy data from LAMMPS_NS
void copy_relations_data(int n,int* tag, int *map_array, int map_size,
int *sametag, int max_same, int ago);
void copy_relations_data(int n, tagint* tag, int *map_array, int map_size,
int *sametag, int max_same, int ago);
/// Reimplement BaseCharge pair loop with host neighboring
void compute(const int f_ago, const int inum_full, const int nall,

6
lib/gpu/lal_lj_tip4p_long_ext.cpp
View File

@ -138,9 +138,9 @@ double ljtip4p_long_gpu_bytes() {
return LJTIP4PLMF.host_memory_usage();
}
void ljtip4p_long_copy_molecule_data(int n, int* tag,
int *map_array, int map_size,
int *sametag, int max_same, int ago){
void ljtip4p_long_copy_molecule_data(int n, tagint* tag,
int *map_array, int map_size,
int *sametag, int max_same, int ago) {
LJTIP4PLMF.copy_relations_data(n, tag, map_array, map_size, sametag, max_same, ago);
}

4
src/GPU/pair_lj_cut_tip4p_long_gpu.cpp
View File

@ -80,8 +80,8 @@ void ljtip4p_long_gpu_compute(const int ago, const int inum, const int nall,
bool &success, double *host_q, const int nlocal,
double *boxlo, double *prd);
double ljtip4p_long_gpu_bytes();
void ljtip4p_long_copy_molecule_data(int, int* , int *,
int, int *, int , int);
void ljtip4p_long_copy_molecule_data(int, tagint *, int *,
int, int *, int, int);
/* ---------------------------------------------------------------------- */