Merge pull request #509 from Qianruipku/planewave

use valgrind to test the memory problems

Author: Qianruipku

source/module_pw/pw_gatherscatter.cpp

@@ -23,7 +23,7 @@ void PW_Basis:: gatherp_scatters(complex<double> *in, complex<double> *out)
         return;
     }
 #ifdef __MPI
-    std::complex<double> * tmp;
+    std::complex<double> * tmp = NULL;
     if(this->poolrank == 0) tmp = new std::complex<double> [this->nz * this->nstot];
 
     //gather planes of different processors
@@ -40,7 +40,7 @@ void PW_Basis:: gatherp_scatters(complex<double> *in, complex<double> *out)
     MPI_Scatterv(tmp, this->nstnz_per, this->startnsz_per,mpicomplex,out,
                     this->nstnz,mpicomplex,0, POOL_WORLD); 
 
-    if(this->poolrank == 0) delete[] tmp;
+    if(tmp!=NULL) delete[] tmp;
 #endif
     return;
 }
@@ -107,7 +107,7 @@ void PW_Basis:: gathers_scatterp(complex<double> *in, complex<double> *out)
     }
 #ifdef __MPI
     if(this->poolnproc == 1) return;
-    std::complex<double> * tmp;
+    std::complex<double> * tmp = NULL;
     if(this->poolrank == 0) tmp = new std::complex<double> [this->nz * this->nstot];
 
     //scatter sticks to different processors
@@ -121,7 +121,7 @@ void PW_Basis:: gathers_scatterp(complex<double> *in, complex<double> *out)
         MPI_Scatterv(&tmp[istot*this->nz], this->numz,this->startz, mpicomplex, &out[ixy*this->nplane], 
                     this->nplane,mpicomplex,0,POOL_WORLD);
     }
-    if(this->poolrank == 0) delete[] tmp;
+    if(tmp!=NULL) delete[] tmp;
 #endif
     return;
 }

source/module_pw/unittest/Makefile.gnu

@@ -69,7 +69,7 @@ FFTW_LIB         = -L${FFTW_LIB_DIR} -lfftw3 -Wl,-rpath=${FFTW_LIB_DIR}
 # CUDA_LIB			= -L${CUDA_LIB_DIR} -lcufft -lcublas -lcudart
 
 LIBS = ${FFTW_LIB} ${CUDA_LIB}
-OPTS = -I${FFTW_INCLUDE_DIR} ${HONG} -Ofast -march=native -std=c++11 -Wall -g 
+OPTS = -I${FFTW_INCLUDE_DIR} ${HONG} -Ofast -std=c++11 -Wall -g 
 #==========================
 # MAKING OPTIONS
 #==========================

source/module_pw/unittest/test2.cpp

@@ -55,10 +55,10 @@ int main(int argc,char **argv)
     GT = latvec.Inverse();
 	G  = GT.Transpose();
 	GGT = G * GT;
-    
+    complex<double> *tmp = NULL;
     if(myrank == 0)
     {
-        complex<double> *tmp = new complex<double> [nx*ny*nz];
+        tmp = new complex<double> [nx*ny*nz];
         for(int ix = 0 ; ix < nx ; ++ix)
         {
             for(int iy = 0 ; iy < ny ; ++iy)
@@ -80,7 +80,8 @@ int main(int argc,char **argv)
             }   
         }
         fftw_plan pp = fftw_plan_dft_3d(nx,ny,nz,(fftw_complex *) tmp, (fftw_complex *) tmp, FFTW_BACKWARD, FFTW_ESTIMATE);
-        fftw_execute(pp);     
+        fftw_execute(pp);    
+        fftw_destroy_plan(pp); 
 
         //output
         cout << "reference\n";
@@ -153,6 +154,9 @@ int main(int argc,char **argv)
     }
 
 
-    MPI_Barrier(MPI_COMM_WORLD);      
+    MPI_Barrier(MPI_COMM_WORLD);     
+    delete [] rhog;
+    delete [] rhor;
+    if(tmp!=NULL) delete []tmp; 
     return 0;
 }

source/module_pw/unittest/test3.cpp

@@ -55,10 +55,10 @@ int main(int argc,char **argv)
     GT = latvec.Inverse();
 	G  = GT.Transpose();
 	GGT = G * GT;
-    
+    complex<double> *tmp = NULL;
     if(myrank == 0)
     {
-        complex<double> *tmp = new complex<double> [nx*ny*nz];
+        tmp = new complex<double> [nx*ny*nz];
         for(int ix = 0 ; ix < nx ; ++ix)
         {
             for(int iy = 0 ; iy < ny ; ++iy)
@@ -81,7 +81,8 @@ int main(int argc,char **argv)
             }   
         }
         fftw_plan pp = fftw_plan_dft_3d(nx,ny,nz,(fftw_complex *) tmp, (fftw_complex *) tmp, FFTW_BACKWARD, FFTW_ESTIMATE);
-        fftw_execute(pp);     
+        fftw_execute(pp);  
+        fftw_destroy_plan(pp);    
 
         //output
         cout << "reference\n";
@@ -152,6 +153,8 @@ int main(int argc,char **argv)
     }
 
     MPI_Barrier(MPI_COMM_WORLD);
-
+    delete [] rhog;
+    delete [] rhor;
+    if(tmp!=NULL) delete []tmp;
     return 0;
 }