add liy,riy

Author: Qianruipku

source/module_pw/pw_basis.h

@@ -184,6 +184,7 @@ class PW_Basis
 	// FFT dimensions for wave functions.
 	int nx, ny, nz, nxyz, nxy;
     int bigny, bignxyz, bignxy; // Gamma_only: ny = int(bigny/2)-1 , others: ny = bigny
+    int liy,riy;// liy: the left edge of the pw ball; riy: the right edge of the pw ball
     int maxgrids; // max between nz * ns and bignxy * nplane
     FFT ft;
 

source/module_pw/pw_distributeg_method1.cpp

@@ -224,6 +224,7 @@ void PW_Basis::collect_st(
         iy_start = 0;
         iy_end = this->ny - 1;
     }
+    this->liy = this->riy = 0;
     for (int ix = -ibox[0]; ix <= ibox[0]; ++ix)
     {
         for (int iy = iy_start; iy <= iy_end; ++iy)
@@ -258,14 +259,17 @@ void PW_Basis::collect_st(
                     temp_st_i[is] = x;
                     temp_st_j[is] = y;
                     temp_st_length[is] = static_cast<double>(st_length2D[index]);
+                    if(iy < this->riy) this->riy = iy;
+                    if(iy > this->liy) this->liy = iy;
                     ++is;
                     std::cout << "is   " << is << '\n'; 
                 }   
             }
         }
     }
     assert(is == this->nstot);
-
+    if(riy <= 0) riy += this->ny;
+    std::cout<<"liy "<<liy<<" ; riy "<<riy<<std::endl;
     std::cout<<"collect sticks done\n";
 
     // As we will distribute the longest sticks preferentially in Step(3), we rearrange st_* in the order of length decreasing.

source/module_pw/unittest/Makefile

@@ -72,6 +72,7 @@ FFTW_LIB = -Wl,--start-group -lmkl_intel_lp64  -lmkl_core -lmkl_intel_thread -Wl
 # CUDA_LIB_DIR		= ${CUDA_DIR}/lib64
 # CUDA_LIB			= -L${CUDA_LIB_DIR} -lcufft -lcublas -lcudart
 
+#LIBS = ${FFTW_LIB} ${CUDA_LIB} -ltcmalloc -lprofiler
 LIBS = ${FFTW_LIB} ${CUDA_LIB}
 OPTS = -I${FFTW_INCLUDE_DIR} ${HONG} -Ofast -std=c++11 -simd -m64 -qopenmp -Wall -pedantic -g
 

source/module_pw/unittest/Makefile.gnu

@@ -70,6 +70,7 @@ FFTW_LIB         = -L${FFTW_LIB_DIR} -lfftw3 -Wl,-rpath=${FFTW_LIB_DIR}
 # CUDA_LIB			= -L${CUDA_LIB_DIR} -lcufft -lcublas -lcudart
 
 LIBS = ${FFTW_LIB} ${CUDA_LIB}
+#LIBS = ${FFTW_LIB} ${CUDA_LIB} -ltcmalloc -lprofiler
 OPTS = -I${FFTW_INCLUDE_DIR} ${HONG} -Ofast -std=c++11 -Wall -g 
 #==========================
 # MAKING OPTIONS

source/module_pw/unittest/Makefile.intel

@@ -72,6 +72,7 @@ FFTW_LIB = -Wl,--start-group -lmkl_intel_lp64  -lmkl_core -lmkl_intel_thread -Wl
 # CUDA_LIB_DIR		= ${CUDA_DIR}/lib64
 # CUDA_LIB			= -L${CUDA_LIB_DIR} -lcufft -lcublas -lcudart
 
+#LIBS = ${FFTW_LIB} ${CUDA_LIB} -ltcmalloc -lprofiler
 LIBS = ${FFTW_LIB} ${CUDA_LIB}
 OPTS = -I${FFTW_INCLUDE_DIR} ${HONG} -Ofast -std=c++11 -simd -m64 -qopenmp -Wall -pedantic -g