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Fixed compiler errors

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This commit is contained in:
Martin Bauernfeind 2022-07-10 21:13:37 +02:00
parent 0967e8f671
commit c9db6e45fa
2 changed files with 16 additions and 11 deletions
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23
src/neighbor.cu
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@ -83,7 +83,7 @@ __global__ void binatoms_kernel(Atom a, int* bincount, int* bins, int atoms_per_
MD_FLOAT z = atom_z(i); MD_FLOAT z = atom_z(i);
int ibin = coord2bin_device(x, y, z, np); int ibin = coord2bin_device(x, y, z, np);
int ac = atomicIncrement(bincount[ibin]); int ac = atomicAdd(&bincount[ibin], 1);
if(ac < atoms_per_bin){ if(ac < atoms_per_bin){
bins[ibin * atoms_per_bin + ac] = i; bins[ibin * atoms_per_bin + ac] = i;
@ -539,7 +539,7 @@ void sortAtom(Atom* atom) {
#endif #endif
} }
void binatoms_cuda(Atom* c_atom, Binning* c_binning, int* c_resize_needed, NeighborParams *np, const int threads_per_block) void binatoms_cuda(Atom* c_atom, Binning* c_binning, int* c_resize_needed, Neighbor_params *np, const int threads_per_block)
{ {
int nall = c_atom->Nlocal + c_atom->Nghost; int nall = c_atom->Nlocal + c_atom->Nghost;
int resize = 1; int resize = 1;
@ -550,7 +550,7 @@ void binatoms_cuda(Atom* c_atom, Binning* c_binning, int* c_resize_needed, Neigh
checkCUDAError("binatoms_cuda c_binning->bins malloc", cudaMalloc((void**)(&c_binning->bins), c_binning->mbins * c_binning->atoms_per_bin * sizeof(int)) ); checkCUDAError("binatoms_cuda c_binning->bins malloc", cudaMalloc((void**)(&c_binning->bins), c_binning->mbins * c_binning->atoms_per_bin * sizeof(int)) );
} }
const int num_blocks = ceil((float)nall-> / (float)num_threads_per_block); const int num_blocks = ceil((float)nall / (float)threads_per_block);
while(resize > 0) { while(resize > 0) {
resize = 0; resize = 0;
@ -560,6 +560,9 @@ void binatoms_cuda(Atom* c_atom, Binning* c_binning, int* c_resize_needed, Neigh
/*binatoms_kernel(Atom a, int* bincount, int* bins, int c_binning->atoms_per_bin, Neighbor_params np, int *resize_needed) */ /*binatoms_kernel(Atom a, int* bincount, int* bins, int c_binning->atoms_per_bin, Neighbor_params np, int *resize_needed) */
binatoms_kernel<<<num_blocks, threads_per_block>>>(*c_atom, c_binning->bincount, c_binning->bins, c_binning->atoms_per_bin, *np, c_resize_needed); binatoms_kernel<<<num_blocks, threads_per_block>>>(*c_atom, c_binning->bincount, c_binning->bins, c_binning->atoms_per_bin, *np, c_resize_needed);
checkCUDAError( "PeekAtLastError binatoms kernel", cudaPeekAtLastError() );
checkCUDAError( "DeviceSync binatoms kernel", cudaDeviceSynchronize() );
checkCUDAError("binatoms_cuda c_resize_needed memcpy back", cudaMemcpy(&resize, c_resize_needed, sizeof(int), cudaMemcpyDeviceToHost) ); checkCUDAError("binatoms_cuda c_resize_needed memcpy back", cudaMemcpy(&resize, c_resize_needed, sizeof(int), cudaMemcpyDeviceToHost) );
if(resize) { if(resize) {
@ -583,10 +586,10 @@ void buildNeighbor_cuda(Atom *atom, Neighbor *neighbor, Atom *c_atom, Neighbor *
checkCUDAError( "buildNeighbor c_n_stencil memcpy", cudaMemcpy(c_stencil, stencil, nstencil * sizeof(int), cudaMemcpyHostToDevice )); checkCUDAError( "buildNeighbor c_n_stencil memcpy", cudaMemcpy(c_stencil, stencil, nstencil * sizeof(int), cudaMemcpyHostToDevice ));
Binning c_binning; Binning c_binning;
c_binning->mbins = mbins; c_binning.mbins = mbins;
c_binning->atoms_per_bin = atoms_per_bin; c_binning.atoms_per_bin = atoms_per_bin;
checkCUDAError( "buildNeighbor c_binning->bincount malloc", cudaMalloc((void**)&(c_binning->bincount), mbins * sizeof(int)) ); checkCUDAError( "buildNeighbor c_binning->bincount malloc", cudaMalloc((void**)&(c_binning.bincount), mbins * sizeof(int)) );
checkCUDAError( "buidlNeighbor c_binning->bins malloc", cudaMalloc((void**)&(c_binning->bins), c_binning->mbins * c_binning->atoms_per_bin * sizeof(int)) ); checkCUDAError( "buidlNeighbor c_binning->bins malloc", cudaMalloc((void**)&(c_binning.bins), c_binning.mbins * c_binning.atoms_per_bin * sizeof(int)) );
Neighbor_params np{ Neighbor_params np{
.xprd = xprd, .xprd = xprd,
@ -639,7 +642,7 @@ void buildNeighbor_cuda(Atom *atom, Neighbor *neighbor, Atom *c_atom, Neighbor *
* */ * */
compute_neighborhood<<<num_blocks, num_threads_per_block>>>(*c_atom, *c_neighbor, compute_neighborhood<<<num_blocks, num_threads_per_block>>>(*c_atom, *c_neighbor,
np, nstencil, c_stencil, np, nstencil, c_stencil,
c_binning->bins, atoms_per_bin, c_binning->bincount, c_binning.bins, c_binning.atoms_per_bin, c_binning.bincount,
c_new_maxneighs, c_new_maxneighs,
cutneighsq); cutneighsq);
@ -670,7 +673,7 @@ void buildNeighbor_cuda(Atom *atom, Neighbor *neighbor, Atom *c_atom, Neighbor *
cudaFree(c_new_maxneighs); cudaFree(c_new_maxneighs);
cudaFree(c_stencil); cudaFree(c_stencil);
cudaFree(c_binning->bincount); cudaFree(c_binning.bincount);
cudaFree(c_binning->bins); cudaFree(c_binning.bins);
} }
} }

2
src/pbc.cu
View File

@ -131,6 +131,8 @@ void updatePbc_cuda(Atom *atom, Parameter *param, Atom *c_atom, bool doReneighbo
* MD_FLOAT xprd, MD_FLOAT yprd, MD_FLOAT zprd) * MD_FLOAT xprd, MD_FLOAT yprd, MD_FLOAT zprd)
* */ * */
computePbcUpdate<<<num_blocks, num_threads_per_block>>>(*c_atom, c_PBCx, c_PBCy, c_PBCz, xprd, yprd, zprd); computePbcUpdate<<<num_blocks, num_threads_per_block>>>(*c_atom, c_PBCx, c_PBCy, c_PBCz, xprd, yprd, zprd);
checkCUDAError( "PeekAtLastError UpdatePbc", cudaPeekAtLastError() );
checkCUDAError( "DeviceSync UpdatePbc", cudaDeviceSynchronize() );
if(doReneighbor){ if(doReneighbor){
checkCUDAError( "updatePbc atom->x memcpy back", cudaMemcpy(atom->x, c_atom->x, atom->Nmax * sizeof(MD_FLOAT) * 3, cudaMemcpyDeviceToHost) ); checkCUDAError( "updatePbc atom->x memcpy back", cudaMemcpy(atom->x, c_atom->x, atom->Nmax * sizeof(MD_FLOAT) * 3, cudaMemcpyDeviceToHost) );
} }