#31, krnl_GA: added write-only arg (final pops) + corrected initial-pop arg to read-only

This one runs correctly in terms of docking, yay

ofdock_taskpar_xl/device/Krnl_GA.cl

@@ -222,7 +222,8 @@ __kernel __attribute__ ((max_global_work_dim(0)))
 */
 __kernel __attribute__ ((reqd_work_group_size(1,1,1)))
 void Krnl_GA(
-	     __global       float*           restrict GlobPopulationCurrent,
+	     __global const float*           restrict GlobPopulationCurrentInitial,
+	     __global       float*           restrict GlobPopulationCurrentFinal,
 	     __global       float*           restrict GlobEnergyCurrent,
    	     __global       unsigned int*    restrict GlobEvals_performed,
              __global       unsigned int*    restrict GlobGens_performed,
@@ -264,7 +265,8 @@ void Krnl_GA(
 	__local float LocalPopCurr[MAX_POPSIZE][ACTUAL_GENOTYPE_LENGTH];
 	__local float LocalEneCurr[MAX_POPSIZE];
 
-	__global float* GlobPopCurr = & GlobPopulationCurrent [Host_Offset_Pop];
+	__global const float* GlobPopCurrInitial = & GlobPopulationCurrentInitial [Host_Offset_Pop];
+	__global       float* GlobPopCurrFinal   = & GlobPopulationCurrentFinal   [Host_Offset_Pop];
 	__global       float* GlobEneCurr        = & GlobEnergyCurrent     	  [Host_Offset_Ene];
 
 	// ------------------------------------------------------------------
@@ -283,7 +285,7 @@ void Krnl_GA(
 		LOOP_FOR_GA_IC_INNER_WRITE_GENOTYPE:
 		for (uchar gene_cnt=0; gene_cnt<DockConst_num_of_genes; gene_cnt++) {
 			float tmp_ic;
-			tmp_ic = GlobPopCurr[pop_cnt*ACTUAL_GENOTYPE_LENGTH + gene_cnt];
+			tmp_ic = GlobPopCurrInitial[pop_cnt*ACTUAL_GENOTYPE_LENGTH + gene_cnt];
 
 			LocalPopCurr[pop_cnt][gene_cnt & MASK_GENOTYPE] = tmp_ic;
 			write_pipe_block(chan_IC2Conf_genotype, &tmp_ic);	
@@ -856,7 +858,7 @@ void Krnl_GA(
 		__attribute__((xcl_pipeline_loop))
 		LOOP_GA_WRITEPOP2DDR_INNER:
 		for (uchar gene_cnt=0; gene_cnt<DockConst_num_of_genes; gene_cnt++) {
-			GlobPopCurr[pop_cnt*ACTUAL_GENOTYPE_LENGTH + gene_cnt] = LocalPopCurr[pop_cnt][gene_cnt & MASK_GENOTYPE];
+			GlobPopCurrFinal[pop_cnt*ACTUAL_GENOTYPE_LENGTH + gene_cnt] = LocalPopCurr[pop_cnt][gene_cnt & MASK_GENOTYPE];
 		}
 
 		GlobEneCurr[pop_cnt] = LocalEneCurr[pop_cnt];

ofdock_taskpar_xl/host/src/performdocking.cpp

@@ -388,8 +388,12 @@ filled with clock() */
 	// functions.
 
 	// Krnl_GA buffers
-	cl::Buffer mem_dockpars_conformations_current	(context, CL_MEM_USE_HOST_PTR | CL_MEM_READ_WRITE, 
+	cl::Buffer mem_dockpars_conformations_current_Initial
+							(context, CL_MEM_USE_HOST_PTR | CL_MEM_READ_ONLY, 
 							size_populations_nbytes,	cpu_init_populations.data());
+	cl::Buffer mem_dockpars_conformations_current_Final
+							(context, CL_MEM_USE_HOST_PTR | CL_MEM_WRITE_ONLY, 
+							size_populations_nbytes,	cpu_final_populations.data());
 	cl::Buffer mem_dockpars_energies_current     	(context, CL_MEM_USE_HOST_PTR | CL_MEM_WRITE_ONLY, 
 							size_energies_nbytes,     	cpu_energies.data());
 	cl::Buffer mem_evals_performed			(context, CL_MEM_USE_HOST_PTR | CL_MEM_WRITE_ONLY, 
@@ -463,7 +467,7 @@ filled with clock() */
 	std::vector<cl::Memory> inBufVec, outBufVec;
 
 	// Krnl_GA
-	inBufVec.push_back(mem_dockpars_conformations_current); 	// RD & WR
+	inBufVec.push_back(mem_dockpars_conformations_current_Initial);
 	// Krnl_Conform
 	inBufVec.push_back(mem_KerConstStatic_rotlist_const);
 	inBufVec.push_back(mem_KerConstStatic_ref_coords_const);
@@ -488,8 +492,8 @@ filled with clock() */
 	inBufVec.push_back(mem_KerConstStatic_dspars_V_const);
 
 	// Krnl_GA
-        outBufVec.push_back(mem_dockpars_conformations_current);	// RD & WR
-	outBufVec.push_back(mem_dockpars_energies_current);		// WR
+        outBufVec.push_back(mem_dockpars_conformations_current_Final);
+	outBufVec.push_back(mem_dockpars_energies_current);
 	outBufVec.push_back(mem_evals_performed);
 	outBufVec.push_back(mem_gens_performed);
 
@@ -506,7 +510,8 @@ filled with clock() */
 	int narg;
 	#ifdef ENABLE_KRNL_GA
 	narg = 0;
-	kernel_ga.setArg(narg++, mem_dockpars_conformations_current);
+	kernel_ga.setArg(narg++, mem_dockpars_conformations_current_Initial);
+	kernel_ga.setArg(narg++, mem_dockpars_conformations_current_Final);
 	kernel_ga.setArg(narg++, mem_dockpars_energies_current);
 	kernel_ga.setArg(narg++, mem_evals_performed);
 	kernel_ga.setArg(narg++, mem_gens_performed);
@@ -825,9 +830,9 @@ filled with clock() */
 		unsigned short ushort_run_cnt  = (unsigned ushort) run_cnt;
 		unsigned int   Host_Offset_Pop = run_cnt * dockpars.pop_size * ACTUAL_GENOTYPE_LENGTH;
 		unsigned int   Host_Offset_Ene = run_cnt * dockpars.pop_size;
-		kernel_ga.setArg(16, ushort_run_cnt);
-		kernel_ga.setArg(17, Host_Offset_Pop);
-		kernel_ga.setArg(18, Host_Offset_Ene);
+		kernel_ga.setArg(17, ushort_run_cnt);
+		kernel_ga.setArg(18, Host_Offset_Pop);
+		kernel_ga.setArg(19, Host_Offset_Ene);
 		#endif
 
 		#ifdef ENABLE_KRNL_CONFORM