forked from lijiext/lammps
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6466 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
sjplimp
parent
6e6078b938
commit
b2eea06cd0
|
|
@ -1,483 +0,0 @@
|
|||
/* ----------------------------------------------------------------------
|
||||
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 comm_cuda
|
||||
#include "cuda_shared.h"
|
||||
#include "cuda_common.h"
|
||||
|
||||
#include "crm_cuda_utils.cu"
|
||||
|
||||
#include "comm_cuda_cu.h"
|
||||
#include "comm_cuda_kernel.cu"
|
||||
#include <ctime>
|
||||
|
||||
void Cuda_CommCuda_UpdateBuffer(cuda_shared_data* sdata,int n)
|
||||
{
|
||||
int size=n*3*sizeof(X_FLOAT);
|
||||
if(sdata->buffersize<size)
|
||||
{
|
||||
MYDBG(printf("Cuda_ComputeTempCuda 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*) );
|
||||
}
|
||||
|
||||
|
||||
void Cuda_CommCuda_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(X_FLOAT*) );
|
||||
cudaMemcpyToSymbol(MY_CONST(f) , & sdata->atom.f .dev_data, sizeof(F_FLOAT*) );
|
||||
cudaMemcpyToSymbol(MY_CONST(type) , & sdata->atom.type .dev_data, sizeof(int*) );
|
||||
}
|
||||
|
||||
|
||||
void Cuda_CommCuda_Init(cuda_shared_data* sdata)
|
||||
{
|
||||
Cuda_CommCuda_UpdateNmax(sdata);
|
||||
int ntypesp=sdata->atom.ntypes+1;
|
||||
cudaMemcpyToSymbol(MY_CONST(cuda_ntypes) , &ntypesp, sizeof(int));
|
||||
cudaMemcpyToSymbol(MY_CONST(prd) , sdata->domain.prd, 3*sizeof(X_FLOAT));
|
||||
cudaMemcpyToSymbol(MY_CONST(flag) , &sdata->flag, sizeof(int*));
|
||||
cudaMemcpyToSymbol(MY_CONST(debugdata) , &sdata->debugdata, sizeof(int*));
|
||||
}
|
||||
|
||||
int Cuda_CommCuda_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_CommCuda_UpdateNmax(sdata);
|
||||
if(sdata->atom.update_nlocal)
|
||||
cudaMemcpyToSymbol(MY_CONST(nlocal) , & sdata->atom.nlocal , sizeof(int) );
|
||||
int size=n*3*sizeof(X_FLOAT);
|
||||
if(sdata->buffer_new or (size>sdata->buffersize))
|
||||
Cuda_CommCuda_UpdateBuffer(sdata,n);
|
||||
|
||||
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_CommCuda_PackComm_Kernel<<<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_CommCuda_PackComm: Kernel execution failed");
|
||||
if(not sdata->overlap_comm)
|
||||
cudaMemcpy(buf_send, sdata->buffer, n*3*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_CommCuda_PackComm: Kernel execution failed");
|
||||
|
||||
}
|
||||
return 3*n;
|
||||
}
|
||||
|
||||
int Cuda_CommCuda_PackCommVel(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_CommCuda_UpdateNmax(sdata);
|
||||
if(sdata->atom.update_nlocal)
|
||||
cudaMemcpyToSymbol(MY_CONST(nlocal) , & sdata->atom.nlocal , sizeof(int) );
|
||||
int size=n*6*sizeof(X_FLOAT);
|
||||
if(sdata->buffer_new or (size>sdata->buffersize))
|
||||
Cuda_CommCuda_UpdateBuffer(sdata,n);
|
||||
|
||||
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_CommCuda_PackComm_Kernel<<<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_CommCuda_PackComm: Kernel execution failed");
|
||||
if(not sdata->overlap_comm)
|
||||
cudaMemcpy(buf_send, sdata->buffer, n*6*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_CommCuda_PackComm: Kernel execution failed");
|
||||
|
||||
}
|
||||
return 6*n;
|
||||
}
|
||||
|
||||
int Cuda_CommCuda_PackComm_Self(cuda_shared_data* sdata,int n,int iswap,int first,int* pbc,int pbc_flag)
|
||||
{
|
||||
MYDBG(printf(" # CUDA: CommCuda_PackComm_Self\n");)
|
||||
timespec time1,time2;
|
||||
if(sdata->atom.update_nmax)
|
||||
Cuda_CommCuda_UpdateNmax(sdata);
|
||||
if(sdata->atom.update_nlocal)
|
||||
cudaMemcpyToSymbol(MY_CONST(nlocal) , & sdata->atom.nlocal , sizeof(int) );
|
||||
int size=n*3*sizeof(X_FLOAT);
|
||||
if(sdata->buffer_new or (size>sdata->buffersize))
|
||||
Cuda_CommCuda_UpdateBuffer(sdata,n);
|
||||
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);
|
||||
|
||||
Cuda_CommCuda_PackComm_Self_Kernel<<<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_CommCuda_PackComm_Self: Kernel execution failed");
|
||||
}
|
||||
|
||||
return 3*n;
|
||||
}
|
||||
|
||||
int Cuda_CommCuda_PackCommVel_Self(cuda_shared_data* sdata,int n,int iswap,int first,int* pbc,int pbc_flag)
|
||||
{
|
||||
MYDBG(printf(" # CUDA: CommCuda_PackComm_Self\n");)
|
||||
timespec time1,time2;
|
||||
if(sdata->atom.update_nmax)
|
||||
Cuda_CommCuda_UpdateNmax(sdata);
|
||||
if(sdata->atom.update_nlocal)
|
||||
cudaMemcpyToSymbol(MY_CONST(nlocal) , & sdata->atom.nlocal , sizeof(int) );
|
||||
int size=n*6*sizeof(X_FLOAT);
|
||||
if(sdata->buffer_new or (size>sdata->buffersize))
|
||||
Cuda_CommCuda_UpdateBuffer(sdata,n);
|
||||
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);
|
||||
|
||||
Cuda_CommCuda_PackComm_Self_Kernel<<<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_CommCuda_PackComm_Self: Kernel execution failed");
|
||||
}
|
||||
|
||||
return 6*n;
|
||||
}
|
||||
|
||||
void Cuda_CommCuda_UnpackComm(cuda_shared_data* sdata,int n,int first,void* buf_recv,int iswap)
|
||||
{
|
||||
timespec time1,time2;
|
||||
|
||||
if(sdata->atom.update_nmax)
|
||||
Cuda_CommCuda_UpdateNmax(sdata);
|
||||
if(sdata->atom.update_nlocal)
|
||||
cudaMemcpyToSymbol(MY_CONST(nlocal) , & sdata->atom.nlocal , sizeof(int) );
|
||||
int size=n*3*sizeof(X_FLOAT);
|
||||
if(sdata->buffer_new or (size>sdata->buffersize))
|
||||
Cuda_CommCuda_UpdateBuffer(sdata,n);
|
||||
|
||||
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*3*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_CommCuda_UnpackComm_Kernel<<<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_CommCuda_UnpackComm: Kernel execution failed");
|
||||
|
||||
}
|
||||
}
|
||||
|
||||
void Cuda_CommCuda_UnpackCommVel(cuda_shared_data* sdata,int n,int first,void* buf_recv,int iswap)
|
||||
{
|
||||
timespec time1,time2;
|
||||
|
||||
if(sdata->atom.update_nmax)
|
||||
Cuda_CommCuda_UpdateNmax(sdata);
|
||||
if(sdata->atom.update_nlocal)
|
||||
cudaMemcpyToSymbol(MY_CONST(nlocal) , & sdata->atom.nlocal , sizeof(int) );
|
||||
int size=n*6*sizeof(X_FLOAT);
|
||||
if(sdata->buffer_new or (size>sdata->buffersize))
|
||||
Cuda_CommCuda_UpdateBuffer(sdata,n);
|
||||
|
||||
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*6*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_CommCuda_UnpackComm_Kernel<<<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_CommCuda_UnpackComm: Kernel execution failed");
|
||||
|
||||
}
|
||||
}
|
||||
|
||||
int Cuda_CommCuda_PackReverse(cuda_shared_data* sdata,int n,int first,void* buf_send)
|
||||
{
|
||||
if(sdata->atom.update_nmax)
|
||||
Cuda_CommCuda_UpdateNmax(sdata);
|
||||
if(sdata->atom.update_nlocal)
|
||||
cudaMemcpyToSymbol(MY_CONST(nlocal) , & sdata->atom.nlocal , sizeof(int) );
|
||||
int size=n*3*sizeof(F_FLOAT);
|
||||
if(sdata->buffer_new or (size>sdata->buffersize))
|
||||
Cuda_CommCuda_UpdateBuffer(sdata,n);
|
||||
|
||||
|
||||
F_FLOAT* buf=(F_FLOAT*)buf_send;
|
||||
F_FLOAT* f_dev=(F_FLOAT*)sdata->atom.f.dev_data;
|
||||
f_dev+=first;
|
||||
cudaMemcpy(buf, f_dev, n*sizeof(F_FLOAT), cudaMemcpyDeviceToHost);
|
||||
buf+=n; f_dev+=sdata->atom.nmax;
|
||||
cudaMemcpy(buf, f_dev, n*sizeof(F_FLOAT), cudaMemcpyDeviceToHost);
|
||||
buf+=n; f_dev+=sdata->atom.nmax;
|
||||
cudaMemcpy(buf, f_dev, n*sizeof(F_FLOAT), cudaMemcpyDeviceToHost);
|
||||
return n*3;
|
||||
}
|
||||
|
||||
|
||||
void Cuda_CommCuda_UnpackReverse(cuda_shared_data* sdata,int n,int iswap,void* buf_recv)
|
||||
{
|
||||
if(sdata->atom.update_nmax)
|
||||
Cuda_CommCuda_UpdateNmax(sdata);
|
||||
if(sdata->atom.update_nlocal)
|
||||
cudaMemcpyToSymbol(MY_CONST(nlocal) , & sdata->atom.nlocal , sizeof(int) );
|
||||
int size=n*3*sizeof(F_FLOAT);
|
||||
if(sdata->buffer_new or (size>sdata->buffersize))
|
||||
Cuda_CommCuda_UpdateBuffer(sdata,n);
|
||||
|
||||
|
||||
int3 layout=getgrid(n);
|
||||
dim3 threads(layout.z, 1, 1);
|
||||
dim3 grid(layout.x, layout.y, 1);
|
||||
if(sdata->atom.nlocal>0)
|
||||
{
|
||||
cudaMemcpy(sdata->buffer,buf_recv, size, cudaMemcpyHostToDevice);
|
||||
Cuda_CommCuda_UnpackReverse_Kernel<<<grid, threads,0>>>((int*) sdata->comm.sendlist.dev_data,n,sdata->comm.maxlistlength,iswap);
|
||||
cudaThreadSynchronize();
|
||||
CUT_CHECK_ERROR("Cuda_CommCuda_UnpackReverse: Kernel execution failed");
|
||||
}
|
||||
}
|
||||
|
||||
void Cuda_CommCuda_UnpackReverse_Self(cuda_shared_data* sdata,int n,int iswap,int first)
|
||||
{
|
||||
if(sdata->atom.update_nmax)
|
||||
Cuda_CommCuda_UpdateNmax(sdata);
|
||||
if(sdata->atom.update_nlocal)
|
||||
cudaMemcpyToSymbol(MY_CONST(nlocal) , & sdata->atom.nlocal , sizeof(int) );
|
||||
int size=n*3*sizeof(X_FLOAT);
|
||||
if(sdata->buffer_new or (size>sdata->buffersize))
|
||||
Cuda_CommCuda_UpdateBuffer(sdata,n);
|
||||
|
||||
int3 layout=getgrid(n);
|
||||
dim3 threads(layout.z, 1, 1);
|
||||
dim3 grid(layout.x, layout.y, 1);
|
||||
|
||||
if(sdata->atom.nlocal>0)
|
||||
{
|
||||
Cuda_CommCuda_UnpackReverse_Self_Kernel<<<grid, threads,0>>>((int*) sdata->comm.sendlist.dev_data,n,sdata->comm.maxlistlength,iswap,first);
|
||||
cudaThreadSynchronize();
|
||||
CUT_CHECK_ERROR("Cuda_CommCuda_PackReverse_Self: Kernel execution failed");
|
||||
|
||||
}
|
||||
}
|
||||
|
||||
|
||||
int Cuda_CommCuda_BuildSendlist(cuda_shared_data* sdata,int bordergroup,int ineed,int style,int atom_nfirst,int nfirst,int nlast,int dim,int iswap)
|
||||
{
|
||||
MYDBG(printf(" # CUDA: CommCuda_BuildSendlist\n");)
|
||||
timespec time1,time2;
|
||||
Cuda_CommCuda_UpdateNmax(sdata);
|
||||
cudaMemcpyToSymbol(MY_CONST(nlocal) , & sdata->atom.nlocal , sizeof(int) );
|
||||
if(sdata->buffer_new or (80>sdata->buffersize))
|
||||
Cuda_CommCuda_UpdateBuffer(sdata,10);
|
||||
int n;
|
||||
if (!bordergroup || ineed >= 2)
|
||||
n=nlast-nfirst+1;
|
||||
else
|
||||
{
|
||||
n=atom_nfirst;
|
||||
if(nlast-sdata->atom.nlocal+1>n) n=nlast-sdata->atom.nlocal+1;
|
||||
}
|
||||
int3 layout=getgrid(n,0,512,true);
|
||||
dim3 threads(layout.z, 1, 1);
|
||||
dim3 grid(layout.x+1, layout.y, 1);
|
||||
|
||||
|
||||
cudaMemset((int*) (sdata->buffer),0,sizeof(int));
|
||||
|
||||
clock_gettime(CLOCK_REALTIME,&time1);
|
||||
if(style==1)
|
||||
Cuda_CommCuda_BuildSendlist_Single<<<grid, threads,(threads.x+1)*sizeof(int)>>>(bordergroup, ineed, atom_nfirst, nfirst, nlast, dim, iswap,(X_FLOAT*) sdata->comm.slablo.dev_data,(X_FLOAT*) sdata->comm.slabhi.dev_data,(int*) sdata->comm.sendlist.dev_data,sdata->comm.maxlistlength);
|
||||
else
|
||||
Cuda_CommCuda_BuildSendlist_Multi<<<grid, threads,(threads.x+1)*sizeof(int)>>>(bordergroup, ineed, atom_nfirst, nfirst, nlast, dim, iswap,(X_FLOAT*) sdata->comm.multilo.dev_data,(X_FLOAT*) sdata->comm.multihi.dev_data,(int*) sdata->comm.sendlist.dev_data,sdata->comm.maxlistlength);
|
||||
cudaThreadSynchronize();
|
||||
clock_gettime(CLOCK_REALTIME,&time2);
|
||||
sdata->cuda_timings.comm_border_kernel_buildlist+=
|
||||
time2.tv_sec-time1.tv_sec+1.0*(time2.tv_nsec-time1.tv_nsec)/1000000000;
|
||||
|
||||
CUT_CHECK_ERROR("Cuda_CommCuda_BuildSendlist: Kernel execution failed");
|
||||
int nsend;
|
||||
cudaMemcpy(&nsend, sdata->buffer, sizeof(int), cudaMemcpyDeviceToHost);
|
||||
return nsend;
|
||||
|
||||
|
||||
}
|
||||
|
||||
|
|
@ -1,579 +0,0 @@
|
|||
/* ----------------------------------------------------------------------
|
||||
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 "cuda_precision.h"
|
||||
//#define FFT_CUFFT
|
||||
#define MY_PREFIX pppm
|
||||
#include "cuda_shared.h"
|
||||
#include "cuda_common.h"
|
||||
#include "pppm_cuda_cu.h"
|
||||
#include "cuda_runtime.h"
|
||||
#include <stdio.h>
|
||||
|
||||
//#include "crm_cuda_utils.cu"
|
||||
#define MIN(a,b) ((a) < (b) ? (a) : (b))
|
||||
#define MAX(a,b) ((a) > (b) ? (a) : (b))
|
||||
|
||||
__device__ __constant__ FFT_FLOAT* work1;
|
||||
__device__ __constant__ FFT_FLOAT* work2;
|
||||
__device__ __constant__ FFT_FLOAT* work3;
|
||||
__device__ __constant__ PPPM_FLOAT* greensfn;
|
||||
__device__ __constant__ PPPM_FLOAT* gf_b;
|
||||
__device__ __constant__ PPPM_FLOAT* fkx;
|
||||
__device__ __constant__ PPPM_FLOAT* fky;
|
||||
__device__ __constant__ PPPM_FLOAT* fkz;
|
||||
__device__ __constant__ PPPM_FLOAT* vg;
|
||||
__device__ __constant__ int* part2grid;
|
||||
__device__ __constant__ PPPM_FLOAT* density_brick;
|
||||
__device__ __constant__ int* density_brick_int;
|
||||
__device__ __constant__ PPPM_FLOAT density_intScale;
|
||||
__device__ __constant__ PPPM_FLOAT* vdx_brick;
|
||||
__device__ __constant__ PPPM_FLOAT* vdy_brick;
|
||||
__device__ __constant__ PPPM_FLOAT* vdz_brick;
|
||||
__device__ __constant__ PPPM_FLOAT* density_fft;
|
||||
__device__ __constant__ ENERGY_FLOAT* energy;
|
||||
__device__ __constant__ ENERGY_FLOAT* virial;
|
||||
__device__ __constant__ int nxlo_in;
|
||||
__device__ __constant__ int nxhi_in;
|
||||
__device__ __constant__ int nxlo_out;
|
||||
__device__ __constant__ int nxhi_out;
|
||||
__device__ __constant__ int nylo_in;
|
||||
__device__ __constant__ int nyhi_in;
|
||||
__device__ __constant__ int nylo_out;
|
||||
__device__ __constant__ int nyhi_out;
|
||||
__device__ __constant__ int nzlo_in;
|
||||
__device__ __constant__ int nzhi_in;
|
||||
__device__ __constant__ int nzlo_out;
|
||||
__device__ __constant__ int nzhi_out;
|
||||
__device__ __constant__ int nxlo_fft;
|
||||
__device__ __constant__ int nxhi_fft;
|
||||
__device__ __constant__ int nylo_fft;
|
||||
__device__ __constant__ int nyhi_fft;
|
||||
__device__ __constant__ int nzlo_fft;
|
||||
__device__ __constant__ int nzhi_fft;
|
||||
__device__ __constant__ int nx_pppm;
|
||||
__device__ __constant__ int ny_pppm;
|
||||
__device__ __constant__ int nz_pppm;
|
||||
__device__ __constant__ int slabflag;
|
||||
__device__ __constant__ PPPM_FLOAT qqrd2e;
|
||||
__device__ __constant__ int order;
|
||||
//__device__ __constant__ float3 sublo;
|
||||
__device__ __constant__ PPPM_FLOAT* rho_coeff;
|
||||
__device__ __constant__ int nmax;
|
||||
__device__ __constant__ int nlocal;
|
||||
__device__ __constant__ PPPM_FLOAT* debugdata;
|
||||
__device__ __constant__ PPPM_FLOAT delxinv;
|
||||
__device__ __constant__ PPPM_FLOAT delyinv;
|
||||
__device__ __constant__ PPPM_FLOAT delzinv;
|
||||
__device__ __constant__ int nlower;
|
||||
__device__ __constant__ int nupper;
|
||||
__device__ __constant__ PPPM_FLOAT shiftone;
|
||||
|
||||
|
||||
#include "pppm_cuda_kernel.cu"
|
||||
#include "stdio.h"
|
||||
void pppm_device_init(void* cu_density_brick, void* cu_vdx_brick, void* cu_vdy_brick, void* cu_vdz_brick, void* cu_density_fft, void* cu_energy, void* cu_virial
|
||||
,void* cu_work1,void* cu_work2, void* cu_work3,void* cu_greensfn, void* cu_fkx, void* cu_fky, void* cu_fkz, void* cu_vg
|
||||
,int cu_nxlo_in,int cu_nxhi_in,int cu_nylo_in,int cu_nyhi_in,int cu_nzlo_in,int cu_nzhi_in,int cu_nxlo_out,int cu_nxhi_out,int cu_nylo_out,int cu_nyhi_out,int cu_nzlo_out,int cu_nzhi_out,int cu_nx_pppm,int cu_ny_pppm,int cu_nz_pppm
|
||||
,int cu_nxlo_fft,int cu_nxhi_fft,int cu_nylo_fft,int cu_nyhi_fft,int cu_nzlo_fft,int cu_nzhi_fft,void* cu_gf_b
|
||||
,double cu_qqrd2e, int cu_order, void* cu_rho_coeff,void* cu_debugdata,void* cu_density_brick_int,int cu_slabflag
|
||||
)
|
||||
{
|
||||
CUT_CHECK_ERROR("ERROR-CUDA poisson_init Start");
|
||||
cudaMemcpyToSymbol("density_brick",&cu_density_brick, sizeof(PPPM_FLOAT*));
|
||||
cudaMemcpyToSymbol("density_brick_int",&cu_density_brick_int, sizeof(PPPM_FLOAT*));
|
||||
cudaMemcpyToSymbol("vdx_brick",&cu_vdx_brick, sizeof(PPPM_FLOAT*));
|
||||
cudaMemcpyToSymbol("vdy_brick",&cu_vdy_brick, sizeof(PPPM_FLOAT*));
|
||||
cudaMemcpyToSymbol("vdz_brick",&cu_vdz_brick, sizeof(PPPM_FLOAT*));
|
||||
cudaMemcpyToSymbol("density_fft",&cu_density_fft, sizeof(PPPM_FLOAT*));
|
||||
cudaMemcpyToSymbol("energy",&cu_energy, sizeof(ENERGY_FLOAT*));
|
||||
cudaMemcpyToSymbol("virial",&cu_virial, sizeof(ENERGY_FLOAT*));
|
||||
cudaMemcpyToSymbol("nxlo_in",&cu_nxlo_in, sizeof(int));
|
||||
cudaMemcpyToSymbol("nxhi_in",&cu_nxhi_in, sizeof(int));
|
||||
cudaMemcpyToSymbol("nxlo_out",&cu_nxlo_out, sizeof(int));
|
||||
cudaMemcpyToSymbol("nxhi_out",&cu_nxhi_out, sizeof(int));
|
||||
cudaMemcpyToSymbol("nylo_in",&cu_nylo_in, sizeof(int));
|
||||
cudaMemcpyToSymbol("nyhi_in",&cu_nyhi_in, sizeof(int));
|
||||
cudaMemcpyToSymbol("nylo_out",&cu_nylo_out, sizeof(int));
|
||||
cudaMemcpyToSymbol("nyhi_out",&cu_nyhi_out, sizeof(int));
|
||||
cudaMemcpyToSymbol("nzlo_in",&cu_nzlo_in, sizeof(int));
|
||||
cudaMemcpyToSymbol("nzhi_in",&cu_nzhi_in, sizeof(int));
|
||||
cudaMemcpyToSymbol("nzlo_out",&cu_nzlo_out, sizeof(int));
|
||||
cudaMemcpyToSymbol("nzhi_out",&cu_nzhi_out, sizeof(int));
|
||||
cudaMemcpyToSymbol("nxlo_fft",&cu_nxlo_fft, sizeof(int));
|
||||
cudaMemcpyToSymbol("nxhi_fft",&cu_nxhi_fft, sizeof(int));
|
||||
cudaMemcpyToSymbol("nylo_fft",&cu_nylo_fft, sizeof(int));
|
||||
cudaMemcpyToSymbol("nyhi_fft",&cu_nyhi_fft, sizeof(int));
|
||||
cudaMemcpyToSymbol("nzlo_fft",&cu_nzlo_fft, sizeof(int));
|
||||
cudaMemcpyToSymbol("nzhi_fft",&cu_nzhi_fft, sizeof(int));
|
||||
cudaMemcpyToSymbol("slabflag",&cu_slabflag, sizeof(int));
|
||||
cudaMemcpyToSymbol("nx_pppm",&cu_nx_pppm, sizeof(int));
|
||||
cudaMemcpyToSymbol("ny_pppm",&cu_ny_pppm, sizeof(int));
|
||||
cudaMemcpyToSymbol("nz_pppm",&cu_nz_pppm, sizeof(int));
|
||||
cudaMemcpyToSymbol("work1",&cu_work1, sizeof(FFT_FLOAT*));
|
||||
cudaMemcpyToSymbol("work2",&cu_work2, sizeof(FFT_FLOAT*));
|
||||
cudaMemcpyToSymbol("work3",&cu_work3, sizeof(FFT_FLOAT*));
|
||||
cudaMemcpyToSymbol("greensfn",&cu_greensfn, sizeof(PPPM_FLOAT*));
|
||||
cudaMemcpyToSymbol("gf_b",&cu_gf_b, sizeof(PPPM_FLOAT*));
|
||||
cudaMemcpyToSymbol("fkx",&cu_fkx, sizeof(PPPM_FLOAT*));
|
||||
cudaMemcpyToSymbol("fky",&cu_fky, sizeof(PPPM_FLOAT*));
|
||||
cudaMemcpyToSymbol("fkz",&cu_fkz, sizeof(PPPM_FLOAT*));
|
||||
cudaMemcpyToSymbol("vg",&cu_vg, sizeof(PPPM_FLOAT*));
|
||||
|
||||
PPPM_FLOAT cu_qqrd2e_a=cu_qqrd2e;
|
||||
cudaMemcpyToSymbol("qqrd2e",&cu_qqrd2e_a, sizeof(PPPM_FLOAT));
|
||||
cudaMemcpyToSymbol("order",&cu_order, sizeof(int));
|
||||
cudaMemcpyToSymbol("rho_coeff",&cu_rho_coeff, sizeof(PPPM_FLOAT*));
|
||||
cudaMemcpyToSymbol("debugdata",&cu_debugdata, sizeof(PPPM_FLOAT*));
|
||||
|
||||
CUT_CHECK_ERROR("ERROR-CUDA poisson_init");
|
||||
|
||||
/*if(sizeof(CUDA_FLOAT)==sizeof(float)) printf("PPPMCuda Kernel: Using single precision\n");
|
||||
|
||||
#ifdef PPPM_PRECISION
|
||||
if(sizeof(PPPM_FLOAT)==sizeof(float)) printf("PPPMCuda Kernel: Using single precision for pppm core\n");
|
||||
if(sizeof(PPPM_FLOAT)==sizeof(double)) printf("PPPMCuda Kernel: Using double precision for pppm core\n");
|
||||
#endif
|
||||
#ifdef ENERGY_PRECISION
|
||||
if(sizeof(ENERGY_FLOAT)==sizeof(float)) printf("PPPMCuda Kernel: Using single precision for energy\n");
|
||||
if(sizeof(ENERGY_FLOAT)==sizeof(double)) printf("PPPMCuda Kernel: Using double precision for energy\n");
|
||||
#endif
|
||||
#ifdef ENERGY_PRECISION
|
||||
if(sizeof(FFT_FLOAT)==sizeof(float)) printf("PPPMCuda Kernel: Using single precision for fft\n");
|
||||
if(sizeof(FFT_FLOAT)==sizeof(double)) printf("PPPMCuda Kernel: Using double precision for fft\n");
|
||||
#endif
|
||||
#ifdef X_PRECISION
|
||||
if(sizeof(X_FLOAT)==sizeof(float)) printf("PPPMCuda Kernel: Using single precision for positions\n");
|
||||
if(sizeof(X_FLOAT)==sizeof(double)) printf("PPPMCuda Kernel: Using double precision for positions\n");
|
||||
#endif
|
||||
#ifdef F_PRECISION
|
||||
if(sizeof(F_FLOAT)==sizeof(float)) printf("PPPMCuda Kernel: Using single precision for forces\n");
|
||||
if(sizeof(F_FLOAT)==sizeof(double)) printf("PPPMCuda Kernel: Using double precision for forces\n");
|
||||
#endif*/
|
||||
}
|
||||
|
||||
void pppm_device_init_setup(cuda_shared_data* sdata,PPPM_FLOAT cu_shiftone,PPPM_FLOAT cu_delxinv,PPPM_FLOAT cu_delyinv,PPPM_FLOAT cu_delzinv,int cu_nlower,int cu_nupper)
|
||||
{
|
||||
cudaMemcpyToSymbol("delxinv",&cu_delxinv, sizeof(PPPM_FLOAT));
|
||||
cudaMemcpyToSymbol("delyinv",&cu_delyinv, sizeof(PPPM_FLOAT));
|
||||
cudaMemcpyToSymbol("delzinv",&cu_delzinv, sizeof(PPPM_FLOAT));
|
||||
cudaMemcpyToSymbol("shiftone",&cu_shiftone, sizeof(PPPM_FLOAT));
|
||||
cudaMemcpyToSymbol("nlower",&cu_nlower, sizeof(int));
|
||||
cudaMemcpyToSymbol("nupper",&cu_nupper, sizeof(int));
|
||||
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(boxlo) , sdata->domain.boxlo, 3*sizeof(X_FLOAT));
|
||||
CUT_CHECK_ERROR("ERROR-CUDA pppm_init_setup");
|
||||
}
|
||||
|
||||
void pppm_device_update(cuda_shared_data* sdata,void* cu_part2grid, int nlocala,int nmaxa)
|
||||
{
|
||||
cudaMemcpyToSymbol("part2grid",&cu_part2grid, sizeof(int*));
|
||||
cudaMemcpyToSymbol(MY_CONST(x) , & sdata->atom.x .dev_data, sizeof(X_FLOAT*));
|
||||
cudaMemcpyToSymbol(MY_CONST(f) , & sdata->atom.f .dev_data, sizeof(F_FLOAT*));
|
||||
cudaMemcpyToSymbol(MY_CONST(q) , & sdata->atom.q .dev_data, sizeof(F_FLOAT*));
|
||||
cudaMemcpyToSymbol(MY_CONST(tag) , & sdata->atom.tag .dev_data, sizeof(int*));
|
||||
//cudaMemcpyToSymbol(MY_CONST(nlocal) , & sdata->atom.nlocal .dev_data, sizeof(int));
|
||||
cudaMemcpyToSymbol("nlocal" , &nlocala, sizeof(int));
|
||||
cudaMemcpyToSymbol("nmax" , &nmaxa, sizeof(int));
|
||||
CUT_CHECK_ERROR("ERROR-CUDA pppm_device_update");
|
||||
|
||||
}
|
||||
|
||||
void pppm_update_nlocal(int nlocala)
|
||||
{
|
||||
cudaMemcpyToSymbol("nlocal" , &nlocala, sizeof(int));
|
||||
CUT_CHECK_ERROR("ERROR-CUDA update_nlocal b");
|
||||
}
|
||||
|
||||
|
||||
void Cuda_PPPM_Setup_fkxyz_vg(int nx_pppma,int ny_pppma,int nz_pppma,PPPM_FLOAT unitkx,PPPM_FLOAT unitky,PPPM_FLOAT unitkz,PPPM_FLOAT g_ewald)
|
||||
{
|
||||
dim3 grid;
|
||||
dim3 threads;
|
||||
grid.x=nz_pppma;
|
||||
grid.y=ny_pppma;
|
||||
grid.z=1;
|
||||
threads.x=nx_pppma;
|
||||
threads.y=1;
|
||||
threads.z=1;
|
||||
setup_fkxyz_vg<<<grid,threads,0>>>(unitkx,unitky,unitkz,g_ewald);
|
||||
cudaThreadSynchronize();
|
||||
|
||||
CUT_CHECK_ERROR("ERROR-CUDA Cuda_PPPM_Setup_fkxyz_vg ");
|
||||
}
|
||||
|
||||
void Cuda_PPPM_setup_greensfn(int nx_pppma,int ny_pppma,int nz_pppma,PPPM_FLOAT unitkx,PPPM_FLOAT unitky,PPPM_FLOAT unitkz,PPPM_FLOAT g_ewald,
|
||||
int nbx,int nby,int nbz,PPPM_FLOAT xprd,PPPM_FLOAT yprd,PPPM_FLOAT zprd_slab)
|
||||
{
|
||||
dim3 grid;
|
||||
dim3 threads;
|
||||
grid.x=nz_pppma;
|
||||
grid.y=ny_pppma;
|
||||
grid.z=1;
|
||||
threads.x=nx_pppma;
|
||||
threads.y=1;
|
||||
threads.z=1;
|
||||
setup_greensfn<<<grid,threads,0>>>(unitkx,unitky,unitkz,g_ewald,nbx,nby,nbz,xprd,yprd, zprd_slab);
|
||||
cudaThreadSynchronize();
|
||||
CUT_CHECK_ERROR("ERROR-CUDA Cuda_PPPM_Setup_greensfn ");
|
||||
}
|
||||
|
||||
void poisson_scale(int nx_pppma,int ny_pppma,int nz_pppma)
|
||||
{
|
||||
dim3 grid;
|
||||
dim3 threads;
|
||||
grid.x=nz_pppma;
|
||||
grid.y=ny_pppma;
|
||||
grid.z=1;
|
||||
threads.x=nx_pppma;
|
||||
threads.y=1;
|
||||
threads.z=1;
|
||||
poisson_scale_kernel<<<grid,threads,0>>>();
|
||||
CUT_CHECK_ERROR("ERROR-CUDA poisson_scale ");
|
||||
|
||||
}
|
||||
|
||||
void poisson_xgrad(int nx_pppma,int ny_pppma,int nz_pppma)
|
||||
{
|
||||
dim3 grid;
|
||||
dim3 threads;
|
||||
grid.x=nz_pppma;
|
||||
grid.y=ny_pppma;
|
||||
grid.z=1;
|
||||
threads.x=nx_pppma;
|
||||
threads.y=1;
|
||||
threads.z=1;
|
||||
poisson_xgrad_kernel<<<grid,threads,0>>>();
|
||||
CUT_CHECK_ERROR("ERROR-CUDA poisson_xgrad ");
|
||||
}
|
||||
|
||||
void poisson_ygrad(int nx_pppma,int ny_pppma,int nz_pppma)
|
||||
{
|
||||
dim3 grid;
|
||||
dim3 threads;
|
||||
grid.x=nz_pppma;
|
||||
grid.y=ny_pppma;
|
||||
grid.z=1;
|
||||
threads.x=nx_pppma;
|
||||
threads.y=1;
|
||||
threads.z=1;
|
||||
poisson_ygrad_kernel<<<grid,threads,0>>>();
|
||||
CUT_CHECK_ERROR("ERROR-CUDA poisson_ygrad ");
|
||||
}
|
||||
|
||||
void poisson_zgrad(int nx_pppma,int ny_pppma,int nz_pppma)
|
||||
{
|
||||
dim3 grid;
|
||||
dim3 threads;
|
||||
grid.x=nz_pppma;
|
||||
grid.y=ny_pppma;
|
||||
grid.z=1;
|
||||
threads.x=nx_pppma;
|
||||
threads.y=1;
|
||||
threads.z=1;
|
||||
poisson_zgrad_kernel<<<grid,threads,0>>>();
|
||||
CUT_CHECK_ERROR("ERROR-CUDA poisson_zgrad ");
|
||||
}
|
||||
|
||||
void poisson_vdx_brick(int ihi,int ilo,int jhi,int jlo,int khi,int klo,int nx_pppma,int ny_pppma,int nz_pppma)
|
||||
{
|
||||
|
||||
dim3 grid;
|
||||
dim3 threads;
|
||||
grid.x=khi-klo+1;
|
||||
grid.y=jhi-jlo+1;
|
||||
grid.z=1;
|
||||
threads.x=ihi-ilo+1;
|
||||
threads.y=1;
|
||||
threads.z=1;
|
||||
//printf("VDX_BRICK CUDA: %i %i %i\n",grid.x,grid.y,threads.x);
|
||||
poisson_vdx_brick_kernel<<<grid,threads,0>>>(ilo,jlo,klo);
|
||||
CUT_CHECK_ERROR("ERROR-CUDA poisson_vdxbrick ");
|
||||
cudaThreadSynchronize();
|
||||
}
|
||||
|
||||
void poisson_vdy_brick(int ihi,int ilo,int jhi,int jlo,int khi,int klo,int nx_pppm,int ny_pppm,int nz_pppm)
|
||||
{
|
||||
dim3 grid;
|
||||
dim3 threads;
|
||||
grid.x=khi-klo+1;
|
||||
grid.y=jhi-jlo+1;
|
||||
grid.z=1;
|
||||
threads.x=ihi-ilo+1;
|
||||
threads.y=1;
|
||||
threads.z=1;
|
||||
poisson_vdy_brick_kernel<<<grid,threads,0>>>(ilo,jlo,klo);
|
||||
CUT_CHECK_ERROR("ERROR-CUDA poisson_vdybrick ");
|
||||
cudaThreadSynchronize();
|
||||
}
|
||||
|
||||
void poisson_vdz_brick(int ihi,int ilo,int jhi,int jlo,int khi,int klo,int nx_pppm,int ny_pppm,int nz_pppm)
|
||||
{
|
||||
dim3 grid;
|
||||
dim3 threads;
|
||||
grid.x=khi-klo+1;
|
||||
grid.y=jhi-jlo+1;
|
||||
grid.z=1;
|
||||
threads.x=ihi-ilo+1;
|
||||
threads.y=1;
|
||||
threads.z=1;
|
||||
poisson_vdz_brick_kernel<<<grid,threads,0>>>(ilo,jlo,klo);
|
||||
CUT_CHECK_ERROR("ERROR-CUDA poisson_vdzbrick ");
|
||||
cudaThreadSynchronize();
|
||||
}
|
||||
|
||||
|
||||
void poisson_energy(int nxlo_fft,int nxhi_fft,int nylo_fft,int nyhi_fft,int nzlo_fft,int nzhi_fft,int vflag)
|
||||
{
|
||||
//printf("VFLAG_GPU: %i\n",vflag);
|
||||
CUT_CHECK_ERROR("ERROR-CUDA poisson_energy start ");
|
||||
dim3 grid;
|
||||
dim3 threads;
|
||||
grid.x=nzhi_fft-nzlo_fft+1;
|
||||
grid.y=nyhi_fft-nylo_fft+1;
|
||||
grid.z=1;
|
||||
threads.x=nxhi_fft-nxlo_fft+1;
|
||||
threads.y=1;
|
||||
threads.z=1;
|
||||
poisson_energy_kernel<<<grid,threads,threads.x*sizeof(ENERGY_FLOAT)>>>(nxlo_fft,nylo_fft,nzlo_fft,vflag);
|
||||
|
||||
cudaThreadSynchronize();
|
||||
CUT_CHECK_ERROR("ERROR-CUDA poisson_energy end ");
|
||||
}
|
||||
|
||||
ENERGY_FLOAT sum_energy(void* cu_virial,void* cu_energy,int nx_pppma,int ny_pppma,int nz_pppma,int vflag,ENERGY_FLOAT* cpu_virial)
|
||||
{
|
||||
ENERGY_FLOAT host_energy=0;
|
||||
dim3 grid;
|
||||
dim3 threads;
|
||||
|
||||
grid.x=nz_pppma;
|
||||
grid.y=1;
|
||||
grid.z=1;
|
||||
threads.x=ny_pppma;
|
||||
threads.y=1;
|
||||
threads.z=1;
|
||||
sum_energy_kernel1<<<grid,threads,ny_pppma*sizeof(ENERGY_FLOAT)>>>(vflag);
|
||||
cudaThreadSynchronize();
|
||||
CUT_CHECK_ERROR("ERROR-CUDA sumenergy_kernel1 ");
|
||||
|
||||
grid.x=1;
|
||||
grid.y=1;
|
||||
grid.z=1;
|
||||
threads.x=nz_pppma;
|
||||
threads.y=1;
|
||||
threads.z=1;
|
||||
sum_energy_kernel2<<<grid,threads,nz_pppma*sizeof(ENERGY_FLOAT)>>>(vflag);
|
||||
cudaThreadSynchronize();
|
||||
CUT_CHECK_ERROR("ERROR-CUDA sumenergy_kernel2 ");
|
||||
|
||||
cudaMemcpy((void*) (&host_energy), cu_energy, sizeof(ENERGY_FLOAT),cudaMemcpyDeviceToHost);
|
||||
if(vflag)
|
||||
cudaMemcpy((void*) cpu_virial, (void*) cu_virial, 6*sizeof(ENERGY_FLOAT),cudaMemcpyDeviceToHost);
|
||||
CUT_CHECK_ERROR("ERROR-CUDA sumenergy_memcopy");
|
||||
|
||||
return host_energy;
|
||||
}
|
||||
|
||||
void cuda_make_rho(cuda_shared_data* sdata,void* flag,PPPM_FLOAT* cu_density_intScale,int ihi,int ilo,int jhi,int jlo,int khi,int klo,void* cu_density_brick,void* cu_density_brick_int)
|
||||
{
|
||||
CUT_CHECK_ERROR("cuda_make_rho begin");
|
||||
dim3 grid,threads;
|
||||
int cpu_flag[3];
|
||||
grid.x=(sdata->atom.nlocal+31)/32;
|
||||
grid.y=1;
|
||||
grid.z=1;
|
||||
threads.x=32;
|
||||
threads.y=1;
|
||||
threads.z=1;
|
||||
int sharedmemsize=(32+32*(sdata->pppm.nupper-sdata->pppm.nlower+1)+sdata->pppm.order*(sdata->pppm.order/2-(1-sdata->pppm.order)/2+1))*sizeof(PPPM_FLOAT);
|
||||
do
|
||||
{
|
||||
cpu_flag[0]=0;
|
||||
cpu_flag[1]=0;
|
||||
cpu_flag[2]=0;
|
||||
cudaMemcpyToSymbol("density_intScale",cu_density_intScale,sizeof(PPPM_FLOAT*));
|
||||
CUT_CHECK_ERROR("ERROR-CUDA make_rho pre Z");
|
||||
cudaMemset(flag,0,3*sizeof(int));
|
||||
CUT_CHECK_ERROR("ERROR-CUDA make_rho pre A");
|
||||
cudaMemset(cu_density_brick,0,(khi-klo+1)*(jhi-jlo+1)*(ihi-ilo+1)*sizeof(PPPM_FLOAT));
|
||||
CUT_CHECK_ERROR("ERROR-CUDA make_rho pre B");
|
||||
cudaMemset(cu_density_brick_int,0,(khi-klo+1)*(jhi-jlo+1)*(ihi-ilo+1)*sizeof(int));
|
||||
CUT_CHECK_ERROR("ERROR-CUDA make_rho pre C");
|
||||
make_rho_kernel<<<grid,threads,sharedmemsize>>>((int*) flag,32/(sdata->pppm.nupper-sdata->pppm.nlower+1));
|
||||
cudaThreadSynchronize();
|
||||
CUT_CHECK_ERROR("ERROR-CUDA make_rho A");
|
||||
cudaMemcpy((void*) &cpu_flag, flag, 3*sizeof(int),cudaMemcpyDeviceToHost);
|
||||
if(cpu_flag[0]!=0) {(*cu_density_intScale)/=2; MYDBG(printf("PPPM_Cuda::cuda_make_rho: Decrease cu_density_intScale to: %e\n",*cu_density_intScale);)}
|
||||
if((cpu_flag[0]==0)&&(cpu_flag[1]==0)) {(*cu_density_intScale)*=2; MYDBG(printf("PPPM_Cuda::cuda_make_rho: Increase cu_density_intScale to: %e\n",*cu_density_intScale);)}
|
||||
/* if((*cu_density_intScale)>0xe0000000)
|
||||
{
|
||||
printf("Error Scaling\n");
|
||||
cpu_flag[0]=0;
|
||||
cpu_flag[1]=1;
|
||||
}*/
|
||||
CUT_CHECK_ERROR("ERROR-CUDA make_rho B");
|
||||
} while((cpu_flag[0]!=0)||(cpu_flag[1]==0));
|
||||
|
||||
|
||||
grid.x=khi-klo+1;
|
||||
grid.y=jhi-jlo+1;
|
||||
threads.x=ihi-ilo+1;
|
||||
scale_rho_kernel<<<grid,threads,0>>>();
|
||||
cudaThreadSynchronize();
|
||||
CUT_CHECK_ERROR("ERROR-CUDA make_rho_scale");
|
||||
}
|
||||
|
||||
|
||||
int cuda_particle_map(cuda_shared_data* sdata,void* flag)
|
||||
{
|
||||
dim3 grid,threads;
|
||||
int cpu_flag;
|
||||
grid.x=(sdata->atom.nlocal+31)/32;
|
||||
grid.y=1;
|
||||
grid.z=1;
|
||||
threads.x=32;
|
||||
threads.y=1;
|
||||
threads.z=1;
|
||||
CUT_CHECK_ERROR("ERROR-CUDA particla_map ..pre");
|
||||
particle_map_kernel<<<grid,threads,0>>>((int*) flag);
|
||||
cudaThreadSynchronize();
|
||||
CUT_CHECK_ERROR("ERROR-CUDA particla_map a");
|
||||
cudaMemcpy((void*) &cpu_flag, flag, sizeof(int),cudaMemcpyDeviceToHost);
|
||||
CUT_CHECK_ERROR("ERROR-CUDA particla_map b");
|
||||
return cpu_flag;
|
||||
}
|
||||
|
||||
|
||||
void cuda_fieldforce(cuda_shared_data* sdata,void* flag)
|
||||
{
|
||||
dim3 grid,threads;
|
||||
grid.x=(sdata->atom.nlocal+31)/32;
|
||||
grid.y=1;
|
||||
grid.z=1;
|
||||
threads.x=32;
|
||||
threads.y=1;
|
||||
threads.z=1;
|
||||
int sharedmemsize=(32+3*32*(sdata->pppm.nupper-sdata->pppm.nlower+1)+sdata->pppm.order*(sdata->pppm.order/2-(1-sdata->pppm.order)/2+1))*sizeof(PPPM_FLOAT);
|
||||
fieldforce_kernel<<<grid,threads,sharedmemsize>>>
|
||||
(sdata->pppm.nupper-sdata->pppm.nlower+1,32/(sdata->pppm.nupper-sdata->pppm.nlower+1),(int*) flag);
|
||||
cudaThreadSynchronize();
|
||||
CUT_CHECK_ERROR("ERROR-CUDA fieldforce");
|
||||
}
|
||||
|
||||
double cuda_slabcorr_energy(cuda_shared_data* sdata, ENERGY_FLOAT* buf, ENERGY_FLOAT* dev_buf)
|
||||
{
|
||||
dim3 grid,threads;
|
||||
grid.x=(sdata->atom.nlocal+31)/32;
|
||||
grid.y=1;
|
||||
grid.z=1;
|
||||
threads.x=32;
|
||||
threads.y=1;
|
||||
threads.z=1;
|
||||
slabcorr_energy_kernel<<<grid,threads,32*sizeof(ENERGY_FLOAT)>>>(dev_buf);
|
||||
cudaThreadSynchronize();
|
||||
cudaMemcpy((void*) buf, dev_buf, grid.x*sizeof(ENERGY_FLOAT),cudaMemcpyDeviceToHost);
|
||||
|
||||
double dipole_all=0.0;
|
||||
for(int i=0;i<grid.x;i++)
|
||||
dipole_all+=buf[i];
|
||||
|
||||
return dipole_all;
|
||||
}
|
||||
|
||||
void cuda_slabcorr_force(cuda_shared_data* sdata, F_FLOAT ffact)
|
||||
{
|
||||
dim3 grid,threads;
|
||||
grid.x=(sdata->atom.nlocal+31)/32;
|
||||
grid.y=1;
|
||||
grid.z=1;
|
||||
threads.x=32;
|
||||
threads.y=1;
|
||||
threads.z=1;
|
||||
slabcorr_force_kernel<<<grid,threads>>>(ffact);
|
||||
cudaThreadSynchronize();
|
||||
}
|
||||
|
||||
void sum_virial(double* host_virial)
|
||||
{
|
||||
}
|
||||
|
||||
void pppm_initfftdata(cuda_shared_data* sdata,PPPM_FLOAT* in,FFT_FLOAT* out)
|
||||
{
|
||||
int nslow=sdata->pppm.nzhi_in-sdata->pppm.nzlo_in;
|
||||
int nmid=sdata->pppm.nyhi_in-sdata->pppm.nylo_in;
|
||||
int nfast=sdata->pppm.nxhi_in-sdata->pppm.nxlo_in;
|
||||
int nrimz=MAX(sdata->pppm.nzlo_in-sdata->pppm.nzlo_out,sdata->pppm.nzhi_out-sdata->pppm.nzhi_in);
|
||||
int nrimy=MAX(sdata->pppm.nylo_in-sdata->pppm.nylo_out,sdata->pppm.nyhi_out-sdata->pppm.nyhi_in);
|
||||
int nrimx=MAX(sdata->pppm.nxlo_in-sdata->pppm.nxlo_out,sdata->pppm.nxhi_out-sdata->pppm.nxhi_in);
|
||||
dim3 grid;
|
||||
grid.x=nslow+1;
|
||||
grid.y=nmid+1;
|
||||
grid.z=1;
|
||||
dim3 threads;
|
||||
threads.x=nfast+1;
|
||||
threads.y=1;
|
||||
threads.z=1;
|
||||
cudaThreadSynchronize();
|
||||
initfftdata_core_kernel<<<grid,threads,0>>>(in,out);
|
||||
cudaThreadSynchronize();
|
||||
grid.x=nrimz;
|
||||
grid.y=nmid+1;
|
||||
threads.x=nfast+1;
|
||||
initfftdata_z_kernel<<<grid,threads,0>>>(in,out);
|
||||
cudaThreadSynchronize();
|
||||
grid.x=nslow+1;
|
||||
grid.y=nrimy;
|
||||
threads.x=nfast+1;
|
||||
initfftdata_y_kernel<<<grid,threads,0>>>(in,out);
|
||||
cudaThreadSynchronize();
|
||||
grid.x=nslow+1;
|
||||
grid.y=nmid+1;
|
||||
threads.x=nrimx;
|
||||
initfftdata_x_kernel<<<grid,threads,0>>>(in,out);
|
||||
cudaThreadSynchronize();
|
||||
grid.x=nrimz;
|
||||
grid.y=nrimy;
|
||||
threads.x=nfast+1;
|
||||
initfftdata_yz_kernel<<<grid,threads,0>>>(in,out);
|
||||
cudaThreadSynchronize();
|
||||
grid.x=nrimz;
|
||||
grid.y=nmid+1;
|
||||
threads.x=nrimx;
|
||||
initfftdata_xz_kernel<<<grid,threads,0>>>(in,out);
|
||||
cudaThreadSynchronize();
|
||||
grid.x=nslow+1;
|
||||
grid.y=nrimy;
|
||||
threads.x=nrimx;
|
||||
initfftdata_xy_kernel<<<grid,threads,0>>>(in,out);
|
||||
cudaThreadSynchronize();
|
||||
grid.x=nrimz;
|
||||
grid.y=nrimy;
|
||||
threads.x=nrimx;
|
||||
initfftdata_xyz_kernel<<<grid,threads,0>>>(in,out);
|
||||
cudaThreadSynchronize();
|
||||
CUT_CHECK_ERROR("ERROR-CUDA initfftdata_kernel");
|
||||
}
|
||||
|
||||
|
||||
Loading…
Reference in New Issue