/* ----------------------------------------------------------------------
   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 <stdio.h>
#define MY_PREFIX atom_vec_cuda
#include "cuda_shared.h"
#include "cuda_common.h"
#include "cuda_wrapper_cu.h"
#include "crm_cuda_utils.cu"

#include "atom_vec_cuda_kernel.cu"

int AtomVecCuda_CountDataItems(unsigned int data_mask)
{
	int n=0;
	if(data_mask & X_MASK) n+=3;
	if(data_mask & V_MASK) n+=3;
	if(data_mask & F_MASK) n+=3;
	if(data_mask & TAG_MASK) n++;
	if(data_mask & TYPE_MASK) n++;
	if(data_mask & MASK_MASK) n++;	
	if(data_mask & IMAGE_MASK) n++;	
	if(data_mask & Q_MASK) n++;
	if(data_mask & MOLECULE_MASK) n++;
	if(data_mask & RMASS_MASK) n++;
	if(data_mask & RADIUS_MASK) n++;
	if(data_mask & DENSITY_MASK) n++;
	if(data_mask & OMEGA_MASK) n+=3;
	if(data_mask & TORQUE_MASK) n++;
	
	//if(data_mask & NSPECIAL_MASK) n+=3;	
	return n;
}

void Cuda_AtomVecCuda_UpdateBuffer(cuda_shared_data* sdata,int size)
{
		if(sdata->buffersize<size)
		{
			MYDBG(printf("Cuda_AtomVecCuda Resizing Buffer at %p with %i kB to\n",sdata->buffer,sdata->buffersize);)
			CudaWrapper_FreeCudaData(sdata->buffer,sdata->buffersize);
			sdata->buffer = CudaWrapper_AllocCudaData(size);
			sdata->buffersize=size;
			sdata->buffer_new++;
			MYDBG(printf("New buffer at %p with %i kB\n",sdata->buffer,sdata->buffersize);)
		}
		cudaMemcpyToSymbol(MY_CONST(buffer), & sdata->buffer, sizeof(int*)     );
}

template <const unsigned int data_mask>
void Cuda_AtomVecCuda_UpdateNmax(cuda_shared_data* sdata)
{
		cudaMemcpyToSymbol(MY_CONST(nlocal)  , & sdata->atom.nlocal        , sizeof(int)      );
		cudaMemcpyToSymbol(MY_CONST(nmax)    , & sdata->atom.nmax          , sizeof(int)      );
		cudaMemcpyToSymbol(MY_CONST(x)       , & sdata->atom.x    .dev_data, sizeof(X_FLOAT*) );
		cudaMemcpyToSymbol(MY_CONST(v)       , & sdata->atom.v    .dev_data, sizeof(V_FLOAT*) );
		cudaMemcpyToSymbol(MY_CONST(f)       , & sdata->atom.f    .dev_data, sizeof(F_FLOAT*) );
		cudaMemcpyToSymbol(MY_CONST(tag)     , & sdata->atom.tag  .dev_data, sizeof(int*) );
		cudaMemcpyToSymbol(MY_CONST(type)    , & sdata->atom.type .dev_data, sizeof(int*) );
		cudaMemcpyToSymbol(MY_CONST(mask)    , & sdata->atom.mask .dev_data, sizeof(int*) );
		cudaMemcpyToSymbol(MY_CONST(image)   , & sdata->atom.image.dev_data, sizeof(int*) );
		if(data_mask & Q_MASK) cudaMemcpyToSymbol(MY_CONST(q)       , & sdata->atom.q    .dev_data, sizeof(F_FLOAT*) );
		if(data_mask & MOLECULE_MASK) cudaMemcpyToSymbol(MY_CONST(molecule)   , & sdata->atom.molecule.dev_data, sizeof(int*) );
		if(data_mask & RADIUS_MASK) cudaMemcpyToSymbol(MY_CONST(radius)   , & sdata->atom.radius.dev_data, sizeof(int*) );
		if(data_mask & DENSITY_MASK) cudaMemcpyToSymbol(MY_CONST(density)   , & sdata->atom.density.dev_data, sizeof(int*) );
		if(data_mask & RMASS_MASK) cudaMemcpyToSymbol(MY_CONST(rmass)   , & sdata->atom.rmass.dev_data, sizeof(int*) );
		if(data_mask & OMEGA_MASK) cudaMemcpyToSymbol(MY_CONST(omega)   , & sdata->atom.omega.dev_data, sizeof(int*) );
		//if(data_mask & NSPECIAL_MASK) cudaMemcpyToSymbol(MY_CONST(nspecial)   , & sdata->atom.nspecial.dev_data, sizeof(int*) );
		cudaMemcpyToSymbol(MY_CONST(flag)    , & sdata->flag, sizeof(int*) );
}

template <const unsigned int data_mask>
void Cuda_AtomVecCuda_Init(cuda_shared_data* sdata)
{
	MYDBG( printf("# CUDA: Cuda_AtomVecCuda_Init ... start\n"); )
	Cuda_AtomVecCuda_UpdateNmax<data_mask>(sdata);
	MYDBG( printf("# CUDA: Cuda_AtomVecCuda_Init ... post Nmax\n"); )
    cudaMemcpyToSymbol(MY_CONST(prd)   , sdata->domain.prd, 3*sizeof(X_FLOAT));
	cudaMemcpyToSymbol(MY_CONST(sublo)   , & sdata->domain.sublo, 3*sizeof(X_FLOAT) );
	cudaMemcpyToSymbol(MY_CONST(subhi)   , & sdata->domain.subhi, 3*sizeof(X_FLOAT) );
	cudaMemcpyToSymbol(MY_CONST(flag)   , & sdata->flag, sizeof(int*) );
	MYDBG( printf("# CUDA: Cuda_AtomVecCuda_Init ... end\n"); )
}


template <const unsigned int data_mask>
int Cuda_AtomVecCuda_PackComm(cuda_shared_data* sdata,int n,int iswap,void* buf_send,int* pbc,int pbc_flag)
{

    timespec time1,time2;
	if(sdata->atom.update_nmax) 
		Cuda_AtomVecCuda_UpdateNmax<data_mask>(sdata);
	if(sdata->atom.update_nlocal) 		
		cudaMemcpyToSymbol(MY_CONST(nlocal)  , & sdata->atom.nlocal        , sizeof(int)      );
	int n_data_items=AtomVecCuda_CountDataItems(data_mask);
	int size=(n*n_data_items)*sizeof(X_FLOAT);
	if(sdata->buffer_new or (size>sdata->buffersize))
		Cuda_AtomVecCuda_UpdateBuffer(sdata,size);

	X_FLOAT dx=0.0;
	X_FLOAT dy=0.0;
	X_FLOAT dz=0.0;
 	if (pbc_flag != 0) {
    if (sdata->domain.triclinic == 0) {
      dx = pbc[0]*sdata->domain.prd[0];
      dy = pbc[1]*sdata->domain.prd[1];
      dz = pbc[2]*sdata->domain.prd[2];
    } else {
      dx = pbc[0]*sdata->domain.prd[0] + pbc[5]*sdata->domain.xy + pbc[4]*sdata->domain.xz;
      dy = pbc[1]*sdata->domain.prd[1] + pbc[3]*sdata->domain.yz;
      dz = pbc[2]*sdata->domain.prd[2];
    }}	

	int3 layout=getgrid(n);
	dim3 threads(layout.z, 1, 1);
	dim3 grid(layout.x, layout.y, 1);
	  
	if(sdata->atom.nlocal>0)
	{
	  cudaMemset( sdata->flag,0,sizeof(int));

clock_gettime(CLOCK_REALTIME,&time1);

	  void* buf=sdata->overlap_comm?sdata->comm.buf_send_dev[iswap]:sdata->buffer;
	  Cuda_AtomVecCuda_PackComm_Kernel<data_mask><<<grid, threads,0>>>((int*) sdata->comm.sendlist.dev_data,n
	  ,sdata->comm.maxlistlength,iswap,dx,dy,dz,buf);
	  cudaThreadSynchronize();

clock_gettime(CLOCK_REALTIME,&time2);
sdata->cuda_timings.comm_forward_kernel_pack+=
      time2.tv_sec-time1.tv_sec+1.0*(time2.tv_nsec-time1.tv_nsec)/1000000000;
      
	  CUT_CHECK_ERROR("Cuda_AtomVecCuda_PackComm: Kernel execution failed");
      if(not sdata->overlap_comm)
        cudaMemcpy(buf_send, sdata->buffer, n*n_data_items*sizeof(X_FLOAT), cudaMemcpyDeviceToHost);
      //cudaMemcpy(buf_send, sdata->comm.buf_send_dev[iswap], n*3*sizeof(X_FLOAT), cudaMemcpyDeviceToHost);

clock_gettime(CLOCK_REALTIME,&time1);
sdata->cuda_timings.comm_forward_download+=
      time1.tv_sec-time2.tv_sec+1.0*(time1.tv_nsec-time2.tv_nsec)/1000000000;

	  int aflag;
	  cudaMemcpy(&aflag, sdata->flag, sizeof(int), cudaMemcpyDeviceToHost);
	  if(aflag!=0) printf("aflag PackComm: %i\n",aflag);
	  CUT_CHECK_ERROR("Cuda_AtomVecCuda_PackComm: Kernel execution failed");
		
	}		
    return n_data_items*n;
}


template <const unsigned int data_mask>
int Cuda_AtomVecCuda_PackComm_Self(cuda_shared_data* sdata,int n,int iswap,int first,int* pbc,int pbc_flag)
{
	MYDBG(printf(" # CUDA: AtomVecCuda_PackComm_Self\n");)
    timespec time1,time2;
	if(sdata->atom.update_nmax) 
		Cuda_AtomVecCuda_UpdateNmax<data_mask>(sdata);
	if(sdata->atom.update_nlocal) 		
		cudaMemcpyToSymbol(MY_CONST(nlocal)  , & sdata->atom.nlocal        , sizeof(int)      );
	int n_data_items=AtomVecCuda_CountDataItems(data_mask);
	int size=(n*n_data_items)*sizeof(X_FLOAT);
	if(sdata->buffer_new or (size>sdata->buffersize))
		Cuda_AtomVecCuda_UpdateBuffer(sdata,size);
	static int count=-1;
	count++;
	X_FLOAT dx=0.0;
	X_FLOAT dy=0.0;
	X_FLOAT dz=0.0;
 	if (pbc_flag != 0) {
    if (sdata->domain.triclinic == 0) {
      dx = pbc[0]*sdata->domain.prd[0];
      dy = pbc[1]*sdata->domain.prd[1];
      dz = pbc[2]*sdata->domain.prd[2];
    } else {
      dx = pbc[0]*sdata->domain.prd[0] + pbc[5]*sdata->domain.xy + pbc[4]*sdata->domain.xz;
      dy = pbc[1]*sdata->domain.prd[1] + pbc[3]*sdata->domain.yz;
      dz = pbc[2]*sdata->domain.prd[2];
    }}	



	int3 layout=getgrid(n);
	dim3 threads(layout.z, 1, 1);
	dim3 grid(layout.x, layout.y, 1);
	if(sdata->atom.nlocal>0)
	{

clock_gettime(CLOCK_REALTIME,&time1);
	  CUT_CHECK_ERROR("Cuda_AtomVecCuda_PackComm_Self:Pre Kernel execution failed");

	  Cuda_AtomVecCuda_PackComm_Self_Kernel<data_mask><<<grid, threads,0>>>((int*) sdata->comm.sendlist.dev_data,n,sdata->comm.maxlistlength,iswap,dx,dy,dz,first);
	  cudaThreadSynchronize();

clock_gettime(CLOCK_REALTIME,&time2);
sdata->cuda_timings.comm_forward_kernel_self+=
      time2.tv_sec-time1.tv_sec+1.0*(time2.tv_nsec-time1.tv_nsec)/1000000000;

	  CUT_CHECK_ERROR("Cuda_AtomVecCuda_PackComm_Self: Kernel execution failed");
	}	
	
    return n_data_items*n;
}


template <const unsigned int data_mask>
void Cuda_AtomVecCuda_UnpackComm(cuda_shared_data* sdata,int n,int first,void* buf_recv,int iswap)
{
    timespec time1,time2;

	if(sdata->atom.update_nmax) 
		Cuda_AtomVecCuda_UpdateNmax<data_mask>(sdata);
	if(sdata->atom.update_nlocal) 		
		cudaMemcpyToSymbol(MY_CONST(nlocal)  , & sdata->atom.nlocal        , sizeof(int)      );
	int n_data_items=AtomVecCuda_CountDataItems(data_mask);
	int size=(n*n_data_items)*sizeof(X_FLOAT);
	if(sdata->buffer_new or (size>sdata->buffersize))
		Cuda_AtomVecCuda_UpdateBuffer(sdata,size);

	int3 layout=getgrid(n);
	dim3 threads(layout.z, 1, 1);
	dim3 grid(layout.x, layout.y, 1);
	if(sdata->atom.nlocal>0)
	{
clock_gettime(CLOCK_REALTIME,&time1);
      if(not sdata->overlap_comm||iswap<0)
	    cudaMemcpy(sdata->buffer,(void*)buf_recv, n_data_items*n*sizeof(X_FLOAT), cudaMemcpyHostToDevice);

clock_gettime(CLOCK_REALTIME,&time2);
sdata->cuda_timings.comm_forward_upload+=
      time2.tv_sec-time1.tv_sec+1.0*(time2.tv_nsec-time1.tv_nsec)/1000000000;
	  void* buf=(sdata->overlap_comm&&iswap>=0)?sdata->comm.buf_recv_dev[iswap]:sdata->buffer;
	  Cuda_AtomVecCuda_UnpackComm_Kernel<data_mask><<<grid, threads,0>>>(n,first,buf);
	  cudaThreadSynchronize();

clock_gettime(CLOCK_REALTIME,&time1);
sdata->cuda_timings.comm_forward_kernel_unpack+=
      time1.tv_sec-time2.tv_sec+1.0*(time1.tv_nsec-time2.tv_nsec)/1000000000;

	  CUT_CHECK_ERROR("Cuda_AtomVecCuda_UnpackComm: Kernel execution failed");
		
	}		
}

template <const unsigned int data_mask>
int Cuda_AtomVecCuda_PackExchangeList(cuda_shared_data* sdata,int n,int dim,void* buf_send)
{
	MYDBG( printf("# CUDA: Cuda_AtomVecCuda_PackExchangeList ... start dim %i \n",dim); )
	cudaMemcpyToSymbol(MY_CONST(nlocal)  , & sdata->atom.nlocal        , sizeof(int)      );
	Cuda_AtomVecCuda_Init<data_mask>(sdata);
	int size=n*sizeof(double);
	if(sdata->buffer_new or (size>sdata->buffersize))
		Cuda_AtomVecCuda_UpdateBuffer(sdata,size);

    cudaMemset((int*) (sdata->buffer),0,sizeof(int));
    
    int3 layout=getgrid(sdata->atom.nlocal,sizeof(int),256,true);
    dim3 threads(layout.z, 1, 1);
    dim3 grid(layout.x, layout.y, 1);		
	
    timespec time1,time2;
	clock_gettime(CLOCK_REALTIME,&time1);
    
    Cuda_AtomVecCuda_PackExchangeList_Kernel<<<grid, threads,(threads.x+1)*sizeof(int)>>>(n-1,dim);
	cudaThreadSynchronize();
	CUT_CHECK_ERROR("Cuda_AtomVecCuda_PackExchangeList: Kernel execution failed");

	clock_gettime(CLOCK_REALTIME,&time2);
	sdata->cuda_timings.comm_exchange_kernel_pack+=
      	time2.tv_sec-time1.tv_sec+1.0*(time2.tv_nsec-time1.tv_nsec)/1000000000;

	cudaMemcpy(buf_send, sdata->buffer, sizeof(double), cudaMemcpyDeviceToHost);
	int return_value = ((int*) buf_send)[0];
	cudaMemcpy(buf_send, sdata->buffer, (1+return_value)*sizeof(double), cudaMemcpyDeviceToHost);

clock_gettime(CLOCK_REALTIME,&time1);
sdata->cuda_timings.comm_exchange_download+=
      time1.tv_sec-time2.tv_sec+1.0*(time1.tv_nsec-time2.tv_nsec)/1000000000;
	
	MYDBG( printf("# CUDA: Cuda_AtomVecCuda_PackExchangeList ... done\n"); )
	return return_value;
}

template <const unsigned int data_mask>
int Cuda_AtomVecCuda_PackExchange(cuda_shared_data* sdata,int nsend,void* buf_send,void* copylist)
{
	MYDBG( printf("# CUDA: Cuda_AtomVecCuda_PackExchange ... start \n"); )
	Cuda_AtomVecCuda_UpdateNmax<data_mask>(sdata);
	cudaMemcpyToSymbol(MY_CONST(nlocal)  , & sdata->atom.nlocal        , sizeof(int)      );
	
	int n_data_items=AtomVecCuda_CountDataItems(data_mask)+1;
	int size=(nsend*n_data_items+1)*sizeof(double);
	if(sdata->buffer_new or (size>sdata->buffersize))
		Cuda_AtomVecCuda_UpdateBuffer(sdata,size);

    cudaMemset((int*) (sdata->buffer),0,sizeof(int));
    
    int3 layout=getgrid(nsend,0);
    dim3 threads(layout.z, 1, 1);
    dim3 grid(layout.x, layout.y, 1);		
	
    timespec time1,time2;
	clock_gettime(CLOCK_REALTIME,&time1);

    Cuda_AtomVecCuda_PackExchange_Kernel<data_mask><<<grid, threads,0>>>(nsend,(int*) copylist);
	cudaThreadSynchronize();
	CUT_CHECK_ERROR("Cuda_AtomVecCuda_PackExchangeList: Kernel execution failed");
	
	clock_gettime(CLOCK_REALTIME,&time2);
	sdata->cuda_timings.comm_exchange_kernel_pack+=
      	time2.tv_sec-time1.tv_sec+1.0*(time2.tv_nsec-time1.tv_nsec)/1000000000;

	cudaMemcpy(buf_send, sdata->buffer, size, cudaMemcpyDeviceToHost);

	clock_gettime(CLOCK_REALTIME,&time1);
	sdata->cuda_timings.comm_exchange_download+=
      	time1.tv_sec-time2.tv_sec+1.0*(time1.tv_nsec-time2.tv_nsec)/1000000000;
	
	MYDBG( printf("# CUDA: Cuda_AtomVecCuda_PackExchangeList ... done\n"); )
	return nsend*n_data_items+1;
}


template <const unsigned int data_mask>
int Cuda_AtomVecCuda_UnpackExchange(cuda_shared_data* sdata,int nsend,void* buf_send,void* copylist)
{
	Cuda_AtomVecCuda_UpdateNmax<data_mask>(sdata);
	cudaMemcpyToSymbol(MY_CONST(nlocal)  , & sdata->atom.nlocal        , sizeof(int)      );
	int n_data_items=AtomVecCuda_CountDataItems(data_mask)+1;
	
	int size=(nsend*n_data_items+1)*sizeof(double);
	if(sdata->buffer_new or (size>sdata->buffersize))
		Cuda_AtomVecCuda_UpdateBuffer(sdata,size);
	cudaMemcpyToSymbol(MY_CONST(flag)   , & sdata->flag, sizeof(int*) );

    cudaMemset((int*) (sdata->flag),0,sizeof(int));
    if(nsend)
    {
      int3 layout=getgrid(nsend,0);
      dim3 threads(layout.z, 1, 1);
      dim3 grid(layout.x, layout.y, 1);		
	  if(sdata->atom.nlocal>0)
	  {
    	timespec time1,time2;
		clock_gettime(CLOCK_REALTIME,&time1);
	    
	    cudaMemcpy(sdata->buffer,buf_send , size, cudaMemcpyHostToDevice);

		clock_gettime(CLOCK_REALTIME,&time2);
		sdata->cuda_timings.comm_exchange_upload+=
      		time2.tv_sec-time1.tv_sec+1.0*(time2.tv_nsec-time1.tv_nsec)/1000000000;

	    Cuda_AtomVecCuda_UnpackExchange_Kernel<data_mask><<<grid, threads,0>>>(sdata->exchange_dim,nsend,(int*) copylist);
	    cudaThreadSynchronize();

		clock_gettime(CLOCK_REALTIME,&time1);
		sdata->cuda_timings.comm_exchange_kernel_unpack+=
      		time1.tv_sec-time2.tv_sec+1.0*(time1.tv_nsec-time2.tv_nsec)/1000000000;

	    CUT_CHECK_ERROR("Cuda_AtomVecCuda_UnpackExchange: Kernel execution failed");
	  }	
    }
    int naccept;
 	cudaMemcpy((void*)&naccept, sdata->flag, sizeof(int), cudaMemcpyDeviceToHost);
    
	return naccept;
}

template <const unsigned int data_mask>
int Cuda_AtomVecCuda_PackBorder(cuda_shared_data* sdata,int nsend,int iswap,void* buf_send,int* pbc,int pbc_flag)
{
      timespec atime1,atime2;
	  clock_gettime(CLOCK_REALTIME,&atime1);
 	if(sdata->atom.update_nmax) 
		Cuda_AtomVecCuda_UpdateNmax<data_mask>(sdata);

	cudaMemcpyToSymbol(MY_CONST(nlocal)  , & sdata->atom.nlocal        , sizeof(int)      );
	  clock_gettime(CLOCK_REALTIME,&atime2);
	  sdata->cuda_timings.test1+=
        atime2.tv_sec-atime1.tv_sec+1.0*(atime2.tv_nsec-atime1.tv_nsec)/1000000000;

	int n_data_items=AtomVecCuda_CountDataItems(data_mask);

	int size=nsend*n_data_items*sizeof(X_FLOAT);
	if(sdata->buffer_new or (size>sdata->buffersize))
		Cuda_AtomVecCuda_UpdateBuffer(sdata,size);

	X_FLOAT dx=0.0;
	X_FLOAT dy=0.0;
	X_FLOAT dz=0.0;
 	if (pbc_flag != 0) {
    if (sdata->domain.triclinic == 0) {
      dx = pbc[0]*sdata->domain.prd[0];
      dy = pbc[1]*sdata->domain.prd[1];
      dz = pbc[2]*sdata->domain.prd[2];
    } else {
      dx = pbc[0];
      dy = pbc[1];
      dz = pbc[2];
    }}	

	int3 layout=getgrid(nsend);
	dim3 threads(layout.z, 1, 1);
	dim3 grid(layout.x, layout.y, 1);
	  
	if(sdata->atom.nlocal>0)
	{
      timespec time1,time2;
	  clock_gettime(CLOCK_REALTIME,&time1);

	  Cuda_AtomVecCuda_PackBorder_Kernel<data_mask><<<grid, threads,0>>>((int*) sdata->comm.sendlist.dev_data,nsend,sdata->comm.maxlistlength,iswap,dx,dy,dz);
	  cudaThreadSynchronize();

	  clock_gettime(CLOCK_REALTIME,&time2);
	  sdata->cuda_timings.comm_border_kernel_pack+=
      	time2.tv_sec-time1.tv_sec+1.0*(time2.tv_nsec-time1.tv_nsec)/1000000000;

	  cudaMemcpy(buf_send, sdata->buffer, size, cudaMemcpyDeviceToHost);
	  CUT_CHECK_ERROR("Cuda_AtomVecCuda_PackBorder: Kernel execution failed");

	  clock_gettime(CLOCK_REALTIME,&time1);
	  sdata->cuda_timings.comm_border_download+=
        time1.tv_sec-time2.tv_sec+1.0*(time1.tv_nsec-time2.tv_nsec)/1000000000;
		
	}		
    return nsend*n_data_items;
}

template <const unsigned int data_mask>
int Cuda_AtomVecCuda_PackBorder_Self(cuda_shared_data* sdata,int n,int iswap,int first,int* pbc,int pbc_flag)
{
	if(sdata->atom.update_nmax) 
		Cuda_AtomVecCuda_UpdateNmax<data_mask>(sdata);

	cudaMemcpyToSymbol(MY_CONST(nlocal)  , & sdata->atom.nlocal        , sizeof(int)      );

	int n_data_items=AtomVecCuda_CountDataItems(data_mask);

	int size=n*n_data_items*sizeof(X_FLOAT);
	if(sdata->buffer_new or (size>sdata->buffersize))
		Cuda_AtomVecCuda_UpdateBuffer(sdata,size);

	X_FLOAT dx=0.0;
	X_FLOAT dy=0.0;
	X_FLOAT dz=0.0;
 	if (pbc_flag != 0) {
    if (sdata->domain.triclinic == 0) {
      dx = pbc[0]*sdata->domain.prd[0];
      dy = pbc[1]*sdata->domain.prd[1];
      dz = pbc[2]*sdata->domain.prd[2];
    } else {
      dx = pbc[0];
      dy = pbc[1];
      dz = pbc[2];
    }}	

	int3 layout=getgrid(n);
	dim3 threads(layout.z, 1, 1);
	dim3 grid(layout.x, layout.y, 1);
	if(sdata->atom.nlocal>0)
	{
      timespec time1,time2;
	  clock_gettime(CLOCK_REALTIME,&time1);

	  Cuda_AtomVecCuda_PackBorder_Self_Kernel<data_mask><<<grid, threads,0>>>((int*) sdata->comm.sendlist.dev_data,n,sdata->comm.maxlistlength,iswap,dx,dy,dz,first);
	  cudaThreadSynchronize();
	
	  clock_gettime(CLOCK_REALTIME,&time2);
	  sdata->cuda_timings.comm_border_kernel_self+=
      	time2.tv_sec-time1.tv_sec+1.0*(time2.tv_nsec-time1.tv_nsec)/1000000000;

	  CUT_CHECK_ERROR("Cuda_AtomVecCuda_PackBorder_Self: Kernel execution failed");
		
	}	
    return n*n_data_items;
}


template <const unsigned int data_mask>
int Cuda_AtomVecCuda_UnpackBorder(cuda_shared_data* sdata,int n,int first,void* buf_recv)
{
      timespec atime1,atime2;
	  clock_gettime(CLOCK_REALTIME,&atime1);
	if(sdata->atom.update_nmax) 
		Cuda_AtomVecCuda_UpdateNmax<data_mask>(sdata);

	//if(sdata->atom.update_nlocal) 
	  cudaMemcpyToSymbol(MY_CONST(nlocal)  , & sdata->atom.nlocal        , sizeof(int)      );
	  clock_gettime(CLOCK_REALTIME,&atime2);
	  sdata->cuda_timings.test1+=
        atime2.tv_sec-atime1.tv_sec+1.0*(atime2.tv_nsec-atime1.tv_nsec)/1000000000;

	int n_data_items=AtomVecCuda_CountDataItems(data_mask);

	int size=n*n_data_items*sizeof(X_FLOAT);
	if(sdata->buffer_new or (size>sdata->buffersize))
		Cuda_AtomVecCuda_UpdateBuffer(sdata,size);

	int3 layout=getgrid(n);
	dim3 threads(layout.z, 1, 1);
	dim3 grid(layout.x, layout.y, 1);
	if(sdata->atom.nlocal>0)
	{
      timespec time1,time2;
	  clock_gettime(CLOCK_REALTIME,&time1);
      
      cudaMemset((int*) (sdata->flag),0,sizeof(int));
	  cudaMemcpy(sdata->buffer,(void*)buf_recv, size, cudaMemcpyHostToDevice);

	  clock_gettime(CLOCK_REALTIME,&time2);
	  sdata->cuda_timings.comm_border_upload+=
        time2.tv_sec-time1.tv_sec+1.0*(time2.tv_nsec-time1.tv_nsec)/1000000000;

	  Cuda_AtomVecCuda_UnpackBorder_Kernel<data_mask><<<grid, threads,0>>>(n,first);
	  cudaThreadSynchronize();

	  clock_gettime(CLOCK_REALTIME,&time1);
	  sdata->cuda_timings.comm_border_kernel_unpack+=
      	time1.tv_sec-time2.tv_sec+1.0*(time1.tv_nsec-time2.tv_nsec)/1000000000;

	  cudaMemcpy(&sdata->comm.grow_flag,sdata->flag, sizeof(int), cudaMemcpyDeviceToHost);
	  
	  CUT_CHECK_ERROR("Cuda_AtomVecCuda_UnpackBorder: Kernel execution failed");
		
	}		
	return sdata->comm.grow_flag;
}


#include "atom_vec_angle_cuda.cu"
#include "atom_vec_atomic_cuda.cu"
#include "atom_vec_charge_cuda.cu"
#include "atom_vec_full_cuda.cu"
//#include "atom_vec_granular_cuda.cu"