diff --git a/PG-PuReMD/src/allocate.c b/PG-PuReMD/src/allocate.c index 1baa4488e2c305d34f18afb6fba550a243c86bff..f80a13b9cad34d676fbfae1c2de2e2f6439ff2f2 100644 --- a/PG-PuReMD/src/allocate.c +++ b/PG-PuReMD/src/allocate.c @@ -432,7 +432,6 @@ int Allocate_Matrix( sparse_matrix **pH, int cap, int m ) int Allocate_Matrix( sparse_matrix *H, int cap, int m ) { - // printf("cap: %d, m: %d \n", H->cap, H->m); // H = (sparse_matrix*) smalloc(sizeof(sparse_matrix), "sparse_matrix"); H->cap = cap; H->m = m; diff --git a/PG-PuReMD/src/bond_orders.c b/PG-PuReMD/src/bond_orders.c index b36ebc4251c5c9397fb087161fa1cb7c5389d888..6906e8e19980e254603e785fa0732b1a57f165fe 100644 --- a/PG-PuReMD/src/bond_orders.c +++ b/PG-PuReMD/src/bond_orders.c @@ -844,7 +844,7 @@ void BO( reax_system *system, control_params *control, simulation_data *data, p_boc1 = system->reax_param.gp.l[0]; p_boc2 = system->reax_param.gp.l[1]; - // printf("Running Bonds \n"); + /* Calculate Deltaprime, Deltaprime_boc values */ for ( i = 0; i < system->N; ++i ) diff --git a/PG-PuReMD/src/cuda_copy.cu b/PG-PuReMD/src/cuda_copy.cu index 9a8fed48e249d9c202cd15b4fb1e15278faf44ec..3636497da9c1abb6f68d2d911c469fb18f9e97ea 100644 --- a/PG-PuReMD/src/cuda_copy.cu +++ b/PG-PuReMD/src/cuda_copy.cu @@ -106,7 +106,6 @@ void Sync_Atoms (reax_system *sys) sys->my_rank, sys->n, sys->N, sys->total_cap); #endif - //printf("Doing somethign unnecessayr\n"); copy_host_device (sys->my_atoms, sys->d_my_atoms, sizeof (reax_atom) * sys->N, cudaMemcpyHostToDevice, "system:my_atoms"); //TODO //TODO METIN FIX, coredump on his machine diff --git a/PG-PuReMD/src/forces.c b/PG-PuReMD/src/forces.c index c0fa32826a16437bbd9fb76466123c3f424f914b..0bd85a9b73d3852dab48e82f4520ea9e01b3a60b 100644 --- a/PG-PuReMD/src/forces.c +++ b/PG-PuReMD/src/forces.c @@ -333,7 +333,7 @@ int MPI_Not_GPU_Validate_Lists (reax_system *system, storage *workspace, reax_li //copy_host_device (end_index, dev_workspace->H.end, system->N * sizeof (int), // cudaMemcpyDeviceToHost, "sparse_matrix:end" ); max_sp_entries = total_sp_entries = 0; - //printf("max sparsematrix entries: %d \n", system->max_sparse_entries); + for (i = 0; i < n; i++ ){ //if (i < N-1) // comp = index [i+1]; @@ -426,7 +426,6 @@ int MPI_Not_GPU_Validate_Lists (reax_system *system, storage *workspace, reax_li int max_bonds = 0; for (i = 0; i < N; i++) { - //printf("i: %d, index[i]: %d, end_index[i]: %d \n", i, index[i], end_index[i]); if (end_index[i] - index[i] >= system->max_bonds) { fprintf( stderr, "MPI-Not-GPU step%d-bondchk failed: i=%d start(i)=%d end(i)=%d max_bonds=%d\n", step, i, index[i], end_index[i], system->max_bonds); @@ -438,7 +437,7 @@ int MPI_Not_GPU_Validate_Lists (reax_system *system, storage *workspace, reax_li realloc->num_bonds = max_bonds; } - //printf("hbonds->n : %d \n", hbonds->n); + //validate Hbonds list num_hbonds = 0; // FIX - 4 - added additional check here @@ -1440,7 +1439,7 @@ void Estimate_Storages( reax_system *system, control_params *control, ++hb_top[i]; else if ( j < system->n && ihb == 2 && jhb == 1 ){ ++hb_top[j]; - // printf("j: %d \n", j); + } } } diff --git a/PG-PuReMD/src/init_md.c b/PG-PuReMD/src/init_md.c index eb2acd7685deefe46e734d1889fe591f4a7286d3..8be04fd286226e0995e92586e280ff3a18788444 100644 --- a/PG-PuReMD/src/init_md.c +++ b/PG-PuReMD/src/init_md.c @@ -175,7 +175,7 @@ int Init_System( reax_system *system, control_params *control, //Tried fix //system->Hcap = MAX( system->numH * SAFER_ZONE, MIN_CAP ); system->Hcap = MAX( system->n * SAFER_ZONE, MIN_CAP ); - //printf("numH: %d, Hcap: %d \n", system->numH, system->Hcap); + // Sudhir-style below /* system->numH = 0; @@ -758,7 +758,7 @@ int Init_Lists( reax_system *system, control_params *control, bond_top = (int*) calloc( system->total_cap, sizeof(int) ); hb_top = (int*) calloc( system->local_cap, sizeof(int) ); //hb_top = (int*) calloc( system->Hcap, sizeof(int) ); - //printf("HCap: %d \n", system->Hcap);i + Estimate_Storages( system, control, lists, &Htop, hb_top, bond_top, &num_3body ); @@ -766,7 +766,7 @@ int Init_Lists( reax_system *system, control_params *control, // &Htop, hb_top, bond_top, &num_3body ); - //printf("%p , %d , %d \n", (void*)&(workspace->H), system->local_cap,Htop); + Allocate_Matrix( &(workspace->H), system->local_cap, Htop ); //MATRIX CHANGES diff --git a/PuReMD/src/parallelreax.c b/PuReMD/src/parallelreax.c index de9eade3f86f23f5ce49f29f4d7641e6fc4f28ae..703a434c6bc5e9299b129db60457d3638c637ab5 100644 --- a/PuReMD/src/parallelreax.c +++ b/PuReMD/src/parallelreax.c @@ -139,7 +139,6 @@ int main( int argc, char* argv[] ) data = (simulation_data *) smalloc( sizeof(simulation_data), "data", MPI_COMM_WORLD ); - printf("sizeof(storage): %d \n", sizeof(storage)); workspace = (storage *) smalloc( sizeof(storage), "workspace", MPI_COMM_WORLD ); lists = (reax_list **)