diff --git a/devel/ccsd_gpu/ccsd_space_orb_sub_chol.irp.f b/devel/ccsd_gpu/ccsd_space_orb_sub_chol.irp.f
index 40eb3af..bbe46ea 100644
--- a/devel/ccsd_gpu/ccsd_space_orb_sub_chol.irp.f
+++ b/devel/ccsd_gpu/ccsd_space_orb_sub_chol.irp.f
@@ -507,62 +507,6 @@ subroutine compute_r2_space_chol(nO,nV,t1,t2,tau,H_oo,H_vv,H_vo,r2,max_r2,gpu_da
   double precision, allocatable :: Y_voov(:,:,:,:)
   double precision, allocatable :: Z_ovov(:,:,:,:)
   double precision, allocatable :: Y_ovov(:,:,:,:), X_ovov(:,:,:,:)
-  allocate(X_ovov(nO,nV,nO,nV))
-  allocate(Y_ovov(nO,nV,nO,nV))
-
-  !$omp parallel &
-  !$omp shared(nO,nV,r2,K1,X_ovov,Y_ovov,t2) &
-  !$omp private(u,a,i,beta,gam) &
-  !$omp default(none)
-  !$omp do
-  do beta = 1, nV
-    do u = 1, nO
-      do a = 1, nV
-        do i = 1, nO
-          X_ovov(i,a,u,beta) = 0.5d0 * K1(u,a,i,beta)
-        enddo
-      enddo
-    enddo
-  enddo
-  !$omp end do nowait
-
-  !$omp do
-  do gam = 1, nV
-    do v = 1, nO
-      do a = 1, nV
-        do i = 1, nO
-          Y_ovov(i,a,v,gam) = t2(i,v,gam,a)
-        enddo
-      enddo
-    enddo
-  enddo
-  !$omp end do
-  !$omp end parallel
-
-  allocate(Z_ovov(nO,nV,nO,nV))
-  call dgemm('T','N',nO*nV,nO*nV,nO*nV, &
-             1d0, X_ovov, size(X_ovov,1) * size(X_ovov,2), &
-                  Y_ovov, size(Y_ovov,1) * size(Y_ovov,2), &
-             0d0, Z_ovov, size(Y_ovov,1) * size(Y_ovov,2))
-  deallocate(X_ovov, Y_ovov)
-
-  !$omp parallel &
-  !$omp shared(nO,nV,r2,Z_ovov) &
-  !$omp private(u,v,gam,beta) &
-  !$omp default(none)
-  !$omp do
-  do gam = 1, nV
-    do beta = 1, nV
-      do v = 1, nO
-        do u = 1, nO
-           r2(u,v,beta,gam) = r2(u,v,beta,gam) - Z_ovov(u,beta,v,gam) - Z_ovov(v,gam,u,beta)
-        enddo
-      enddo
-    enddo
-  enddo
-  !$omp end do
-  !$omp end parallel
-  deallocate(Z_ovov)
 
   allocate(X_ovov(nO,nV,nO,nV),Y_ovov(nO,nV,nO,nV))
   !$omp parallel &
diff --git a/devel/ccsd_gpu/gpu.c b/devel/ccsd_gpu/gpu.c
index 49a78f8..60c7503 100644
--- a/devel/ccsd_gpu/gpu.c
+++ b/devel/ccsd_gpu/gpu.c
@@ -62,6 +62,9 @@ void compute_r2_space_chol_gpu(const int nO, const int nV, const int cholesky_mo
       double* d_t2;
       double* d_tmp_cc;
 
+      double* d_K1;
+      cudaMalloc((void **)&d_K1, nO*nV*nO*nV * sizeof(double));
+
       lda = nO * nO;
       cudaMalloc((void **)&d_tau, lda * nV * nV * sizeof(double));
       cublasSetMatrix(nO*nO, nV*nV, sizeof(double), tau, lda, d_tau, lda);
@@ -82,6 +85,377 @@ void compute_r2_space_chol_gpu(const int nO, const int nV, const int cholesky_mo
       #pragma omp sections
       {
 
+        #pragma omp section
+        {
+          double* d_J1;
+          cudaMalloc((void **)&d_J1, nO*nV*nV*nO * sizeof(double));
+
+          alpha = 1.0;
+          beta =  0.0;
+          A = d_cc_space_v_ovvo; lda = nO*nV;
+          B = d_cc_space_v_ovvo; ldb = nO*nV;
+          C = d_J1; ldc = nO*nV;
+          cublasDgeam(handle, CUBLAS_OP_N, CUBLAS_OP_N, nO*nV, nV*nO, &alpha, A, lda, &beta, B, ldb, C, ldc);
+
+
+          double* d_X_ovoo;
+          cudaMalloc((void **)&d_X_ovoo, nO*nV*nO*nO * sizeof(double));
+          alpha = 0.0;
+          beta =  1.0;
+           for (int i=0 ; i<nO ; ++i) {
+             cudaStreamCreate(&(stream[i]));
+           }
+          for (int j=0 ; j<nO ; ++j) {
+            for (int i=0 ; i<nO ; ++i) {
+              cublasSetStream(handle, stream[i]);
+              A = &(d_X_ovoo[nO*nV*(i+nO*j)]); lda = nO;
+              B = &(d_cc_space_v_ovoo[nO*nV*(j+nO*i)]); ldb = nO;
+              C = &(d_X_ovoo[nO*nV*(i+nO*j)]); ldc = nO;
+              cublasDgeam(handle, CUBLAS_OP_N, CUBLAS_OP_N, nO, nV, &alpha, A, lda, &beta, B, ldb, C, ldc);
+            }
+          }
+          for (int i=0 ; i<nO ; ++i) {
+            cudaStreamDestroy(stream[i]);
+          }
+          cublasSetStream(handle, NULL);
+
+
+          double* d_Y_ovov;
+          cudaMalloc((void **)&d_Y_ovov, nO*nV*nO*nV * sizeof(double));
+
+          alpha = 1.0;
+          beta  = 0.0;
+          m=nO*nV*nO;  n=nV;  k=nO;
+          A=d_X_ovoo;  lda=nO*nV*nO;
+          B=d_t1;  ldb=nO;
+          C=d_Y_ovov;  ldc=nO*nV*nO;
+          cublasDgemm(handle, CUBLAS_OP_N, CUBLAS_OP_N, m, n, k, &alpha, A, lda, B, ldb, &beta, C, ldc);
+          cudaFree(d_X_ovoo);
+
+          alpha = 1.0;
+          beta =  -1.0;
+          for (int i=0 ; i<nV ; ++i) {
+            cudaStreamCreate(&(stream[i]));
+          }
+          for (int j=0 ; j<nO ; ++j) {
+            for (int i=0 ; i<nV ; ++i) {
+              cublasSetStream(handle, stream[i]);
+              A = &(d_J1[nO*nV*(i+nV*j)]); lda = nO;
+              B = &(d_Y_ovov[nO*nV*(j+nO*i)]); ldb = nO;
+              C = &(d_J1[nO*nV*(i+nV*j)]); ldc = nO;
+              cublasDgeam(handle, CUBLAS_OP_N, CUBLAS_OP_N, nO, nV, &alpha, A, lda, &beta, B, ldb, C, ldc);
+            }
+          }
+          for (int i=0 ; i<nV ; ++i) {
+            cudaStreamDestroy(stream[i]);
+          }
+          cublasSetStream(handle, NULL);
+
+          double* d_tmp_cc;
+          cudaMalloc((void **)&d_tmp_cc, cholesky_mo_num*nV*nO * sizeof(double));
+
+          alpha = 1.0;
+          beta  = 0.0;
+          m=cholesky_mo_num*nV;  n=nO;  k=nV;
+          A=d_cc_space_v_vv_chol;  lda=cholesky_mo_num*nV;
+          B=d_t1;  ldb=nO;
+          C=d_tmp_cc;  ldc=cholesky_mo_num*nV;
+          cublasDgemm(handle, CUBLAS_OP_N, CUBLAS_OP_T, m, n, k, &alpha, A, lda, B, ldb, &beta, C, ldc);
+
+          double* d_J1_tmp;
+          cudaMalloc((void **)&d_J1_tmp, nV*nO*nV*nO * sizeof(double));
+
+          alpha = 1.0;
+          beta  = 0.0;
+          m=nV*nO;  n=nV*nO;  k=cholesky_mo_num;
+          A=d_tmp_cc;  lda=cholesky_mo_num;
+          B=d_cc_space_v_vo_chol;  ldb=cholesky_mo_num;
+          C=d_J1_tmp;  ldc=nV*nO;
+          cublasDgemm(handle, CUBLAS_OP_T, CUBLAS_OP_N, m, n, k, &alpha, A, lda, B, ldb, &beta, C, ldc);
+
+          cudaFree(d_tmp_cc);
+
+          alpha = 1.0;
+          beta =  1.0;
+          for (int i=0 ; i<nO ; ++i) {
+            cudaStreamCreate(&(stream[i]));
+          }
+          for (int i=0 ; i<nO ; ++i) {
+              cublasSetStream(handle, stream[i]);
+              A = &(d_J1[nO*nV*nV*i]); lda = nO*nV;
+              B = &(d_J1_tmp[nV*nO*nV*i]); ldb = nV;
+              C = &(d_J1[nO*nV*nV*i]); ldc = nO*nV;
+              cublasDgeam(handle, CUBLAS_OP_N, CUBLAS_OP_T, nO*nV, nV, &alpha, A, lda, &beta, B, ldb, C, ldc);
+          }
+          for (int i=0 ; i<nO ; ++i) {
+            cudaStreamDestroy(stream[i]);
+          }
+          cublasSetStream(handle, NULL);
+          cudaFree(d_J1_tmp);
+
+          double* d_X_voov;
+          cudaMalloc((void **)&d_X_voov, nV*nO*nO*nV * sizeof(double));
+
+          for (int i=0 ; i<nV ; ++i) {
+            cudaStreamCreate(&(stream[i]));
+          }
+          alpha = 0.5;
+          for (int j=0 ; j<nO ; ++j) {
+            for (int b=0 ; b<nV ; ++b) {
+              cublasSetStream(handle, stream[b]);
+              beta = t1[j+b*nO];
+              A = &(d_t2[nO*(j + nO*nV*b)]); lda = nO*nO;
+              B = d_t1; ldb = nO;
+              C = &(d_Y_ovov[nO*(b+nV*j)]); ldc = nO*nV*nO;
+              cublasDgeam(handle, CUBLAS_OP_N, CUBLAS_OP_N, nO, nV, &alpha, A, lda, &beta, B, ldb, C, ldc);
+            }
+          }
+          alpha = 1.0;
+          beta  = 0.0;
+          for (int j=0 ; j<nO ; ++j) {
+            for (int b=0 ; b<nV ; ++b) {
+              cublasSetStream(handle, stream[b]);
+              A = &(d_cc_space_v_vvoo[nV*(b+nV*nO*j)]); lda = nV*nV;
+              B = &(d_cc_space_v_vvoo[nV*(b+nV*nO*j)]); ldb = nV*nV;
+              C = &(d_X_voov[nV*nO*(j+nO*b)]); ldc = nV;
+              cublasDgeam(handle, CUBLAS_OP_N, CUBLAS_OP_N, nV, nO, &alpha, A, lda, &beta, B, ldb, C, ldc);
+            }
+          }
+          for (int i=0 ; i<nV ; ++i) {
+            cudaStreamDestroy(stream[i]);
+          }
+          cublasSetStream(handle, NULL);
+
+          double* d_Z_ovvo;
+          cudaMalloc((void **)&d_Z_ovvo, nO*nV*nV*nO * sizeof(double));
+
+          alpha = -1.0;
+          beta  = 0.0;
+          m=nO*nV;  n=nV*nO;  k=nO*nV;
+          A=d_Y_ovov;  lda=nO*nV;
+          B=d_X_voov;  ldb=nV*nO;
+          C=d_Z_ovvo;  ldc=nO*nV;
+          cublasDgemm(handle, CUBLAS_OP_N, CUBLAS_OP_T, m, n, k, &alpha, A, lda, B, ldb, &beta, C, ldc);
+          cudaFree(d_X_voov);
+          cudaFree(d_Y_ovov);
+
+          alpha = 1.0;
+          beta =  1.0;
+          for (int i=0 ; i<nV ; ++i) {
+            cudaStreamCreate(&(stream[i]));
+          }
+          for (int i=0 ; i<nO ; ++i) {
+            for (int b=0 ; b<nV ; ++b) {
+              cublasSetStream(handle, stream[b]);
+              A = &(d_J1[nO*nV*(b+nV*i)]); lda = nO;
+              B = &(d_Z_ovvo[nO*(b+nV*nV*i)]); ldb=nO*nV;
+              C = &(d_J1[nO*nV*(b+nV*i)]); ldc = nO;
+              cublasDgeam(handle, CUBLAS_OP_N, CUBLAS_OP_N, nO, nV, &alpha, A, lda, &beta, B, ldb, C, ldc);
+            }
+          }
+
+          double* d_Y_vovo;
+          cudaMalloc((void **)&d_Y_vovo, nV*nO*nV*nO * sizeof(double));
+
+          alpha = 1.0;
+          beta = -0.5;
+          for (int j=0 ; j<nO ; ++j) {
+            for (int i=0 ; i<nO ; ++i) {
+              cublasSetStream(handle, stream[i]);
+              A = &(d_cc_space_v_vvoo[nV*nV*(i+nO*j)]); lda = nV;
+              B = &(d_cc_space_v_vvoo[nV*nV*(i+nO*j)]); ldb = nV;
+              C = &(d_Y_vovo[nV*(i+nO*nV*j)]); ldc = nV*nO;
+              cublasDgeam(handle, CUBLAS_OP_N, CUBLAS_OP_T, nV, nV, &alpha, A, lda, &beta, B, ldb, C, ldc);
+            }
+          }
+
+          double* d_X_ovvo;
+          cudaMalloc((void **)&d_X_ovvo, nO*nV*nV*nO * sizeof(double));
+
+          alpha = 1.0;
+          beta =  0.0;
+          for (int j=0 ; j<nO ; ++j) {
+            for (int b=0 ; b<nV ; ++b) {
+              cublasSetStream(handle, stream[b]);
+              A = &(d_t2[nO*(j+nO*nV*b)]); lda = nO*nO;
+              B = &(d_t2[nO*(j+nO*nV*b)]); ldb = nO*nO;
+              C = &(d_X_ovvo[nO*nV*(b+nV*j)]); ldc = nO;
+              cublasDgeam(handle, CUBLAS_OP_N, CUBLAS_OP_N, nO, nV, &alpha, A, lda, &beta, B, ldb, C, ldc);
+            }
+          }
+          for (int i=0 ; i<nV ; ++i) {
+            cudaStreamDestroy(stream[i]);
+          }
+          cublasSetStream(handle, NULL);
+
+          alpha = 1.0;
+          beta  = 0.0;
+          m=nO*nV;  n=nV*nO;  k=nV*nO;
+          A=d_X_ovvo;  lda=nO*nV;
+          B=d_Y_vovo;  ldb=nV*nO;
+          C=d_Z_ovvo;  ldc=nO*nV;
+         cublasDgemm(handle, CUBLAS_OP_N, CUBLAS_OP_T, m, n, k, &alpha, A, lda, B, ldb, &beta, C, ldc);
+          cudaFree(d_X_ovvo);
+          cudaFree(d_Y_vovo);
+
+          for (int i=0 ; i<nV ; ++i) {
+            cudaStreamCreate(&(stream[i]));
+          }
+          alpha = 1.0;
+          beta =  1.0;
+          for (int i=0 ; i<nO ; ++i) {
+            for (int b=0 ; b<nV ; ++b) {
+              cublasSetStream(handle, stream[b]);
+              A = &(d_J1[nO*nV*(b+nV*i)]); lda = nO;
+              B = &(d_Z_ovvo[nO*(b+nV*nV*i)]); ldb = nO*nV;
+              C = &(d_J1[nO*nV*(b+nV*i)]); ldc = nO;
+              cublasDgeam(handle, CUBLAS_OP_N, CUBLAS_OP_N, nO, nV, &alpha, A, lda, &beta, B, ldb, C, ldc);
+            }
+          }
+          for (int i=0 ; i<nV ; ++i) {
+            cudaStreamDestroy(stream[i]);
+          }
+          cublasSetStream(handle, NULL);
+
+          cudaFree(d_Z_ovvo);
+
+          lda = nO*nV;
+          cublasGetMatrix(nO*nV, nV*nO, sizeof(double), d_J1, lda, J1, lda);
+          cudaFree(d_J1);
+
+        }
+
+        #pragma omp section
+        {
+
+          alpha = 1.0;
+          beta =  0.0;
+          A = d_cc_space_v_ovov; lda = nO*nV;
+          B = d_cc_space_v_ovov; ldb = nO*nV;
+          C = d_K1; ldc = nO*nV;
+          cublasDgeam(handle, CUBLAS_OP_N, CUBLAS_OP_N, nO*nV, nO*nV, &alpha, A, lda, &beta, B, ldb, C, ldc);
+
+          alpha = -1.0;
+          beta  = 1.0;
+          m=nO*nV*nO;  n=nV;  k=nO;
+          A=d_cc_space_v_ovoo;  lda=nO*nV*nO;
+          B=d_t1;  ldb=nO;
+          C=d_K1;  ldc=nO*nV*nO;
+          cublasDgemm(handle, CUBLAS_OP_N, CUBLAS_OP_N, m, n, k, &alpha, A, lda, B, ldb, &beta, C, ldc);
+
+          double* d_X;
+          cudaMalloc((void **)&d_X, nV*nO*nV*nO * sizeof(double));
+
+          double* d_Y;
+          cudaMalloc((void **)&d_Y, nO*nV*nV*nO * sizeof(double));
+
+          for (int i=0 ; i<nV ; ++i) {
+            cudaStreamCreate(&(stream[i]));
+          }
+          alpha =-1.0;
+          beta =  0.0;
+          for (int j=0 ; j<nO ; ++j) {
+            for (int i=0 ; i<nO ; ++i) {
+              cublasSetStream(handle, stream[i]);
+              A = &(d_cc_space_v_vvoo[nV*nV*(i+nO*j)]); lda = nV;
+              B = &(d_cc_space_v_vvoo[nV*nV*(i+nO*j)]); ldb = nV;
+              C = &(d_X[nV*(j+nO*nV*i)]); ldc = nV*nO;
+              cublasDgeam(handle, CUBLAS_OP_N, CUBLAS_OP_N, nV, nV, &alpha, A, lda, &beta, B, ldb, C, ldc);
+            }
+          }
+
+          alpha = 0.5;
+          for (int j=0 ; j<nO ; ++j) {
+            for (int b=0 ; b<nV ; ++b) {
+              cublasSetStream(handle, stream[b]);
+              beta = t1[j+b*nO];
+              A = &(d_t2[nO*(j+nO*nV*b)]); lda = nO*nO;
+              B = d_t1; ldb = nO;
+              C = &(d_Y[nO*(b+nV*nV*j)]); ldc = nO*nV;
+              cublasDgeam(handle, CUBLAS_OP_N, CUBLAS_OP_N, nO, nV, &alpha, A, lda, &beta, B, ldb, C, ldc);
+            }
+          }
+          for (int i=0 ; i<nV ; ++i) {
+            cudaStreamDestroy(stream[i]);
+          }
+          cublasSetStream(handle, NULL);
+
+          double* d_Z;
+          cudaMalloc((void **)&d_Z, nO*nV*nV*nO * sizeof(double));
+
+          alpha = 1.0;
+          beta  = 0.0;
+          m=nV*nO;  n=nO*nV;  k=nV*nO;
+          A=d_Y;  lda=nO*nV;
+          B=d_X;  ldb=nV*nO;
+          C=d_Z;  ldc=nO*nV;
+          cublasDgemm(handle, CUBLAS_OP_N, CUBLAS_OP_N, m, n, k, &alpha, A, lda, B, ldb, &beta, C, ldc);
+
+          cudaFree(d_X);
+          cudaFree(d_Y);
+
+
+          double* d_t1v;
+          cudaMalloc((void **)&d_t1v, cholesky_mo_num*nO*nO * sizeof(double));
+
+          alpha = 1.0;
+          beta  = 0.0;
+          m=cholesky_mo_num*nO;  n=nO;  k=nV;
+          A=d_cc_space_v_ov_chol;  lda=cholesky_mo_num*nO;
+          B=d_t1;  ldb=nO;
+          C=d_t1v;  ldc=cholesky_mo_num*nO;
+          cublasDgemm(handle, CUBLAS_OP_N, CUBLAS_OP_T, m, n, k, &alpha, A, lda, B, ldb, &beta, C, ldc);
+
+          double* d_K1tmp;
+          cudaMalloc((void **)&d_K1tmp, nO*nO*nV*nV * sizeof(double));
+
+          alpha = 1.0;
+          beta  = 0.0;
+          m=nO*nO;  n=nV*nV;  k=cholesky_mo_num;
+          A=d_t1v;  lda=cholesky_mo_num;
+          B=d_cc_space_v_vv_chol;  ldb=cholesky_mo_num;
+          C=d_K1tmp;  ldc=nO*nO;
+          cublasDgemm(handle, CUBLAS_OP_T, CUBLAS_OP_N, m, n, k, &alpha, A, lda, B, ldb, &beta, C, ldc);
+          cudaFree(d_t1v);
+
+
+          for (int i=0 ; i<nV ; ++i) {
+            cudaStreamCreate(&(stream[i]));
+          }
+          alpha = 1.0;
+          beta =  1.0;
+          for (int i=0 ; i<nO ; ++i) {
+            for (int b=0 ; b<nV ; ++b) {
+              cublasSetStream(handle, stream[b]);
+              A = &(d_K1[nO*nV*(i+nO*b)]); lda = nO;
+              B = &(d_K1tmp[nO*(i+nO*nV*b)]); ldb = nO*nO;
+              C = &(d_K1[nO*nV*(i+nO*b)]); ldc = nO;
+              cublasDgeam(handle, CUBLAS_OP_N, CUBLAS_OP_N, nO, nV, &alpha, A, lda, &beta, B, ldb, C, ldc);
+            }
+          }
+
+          for (int i=0 ; i<nO ; ++i) {
+            for (int b=0 ; b<nV ; ++b) {
+              cublasSetStream(handle, stream[b]);
+              A = &(d_K1[nO*nV*(i+nO*b)]); lda = nO;
+              B = &(d_Z[nO*(b+nV*nV*i)]); ldb = nO*nV;
+              C = &(d_K1[nO*nV*(i+nO*b)]); ldc = nO;
+              cublasDgeam(handle, CUBLAS_OP_N, CUBLAS_OP_N, nO, nV, &alpha, A, lda, &beta, B, ldb, C, ldc);
+            }
+          }
+
+          for (int i=0 ; i<nV ; ++i) {
+            cudaStreamDestroy(stream[i]);
+          }
+          cublasSetStream(handle, NULL);
+          cudaFree(d_K1tmp);
+          cudaFree(d_Z);
+
+          lda = nO*nV;
+          cublasGetMatrix(nO*nV, nO*nV, sizeof(double), d_K1, lda, K1, lda);
+
+        }
+
         #pragma omp section
         {
            double* d_Y_oooo;
@@ -255,6 +629,13 @@ void compute_r2_space_chol_gpu(const int nO, const int nV, const int cholesky_mo
            cublasSetStream(handle, NULL);
            cudaFree(d_Y_oovv);
         }
+      } // end sections
+
+      lda = nO*nV;
+      cublasSetMatrix(lda, nO*nV, sizeof(double), K1, lda, d_K1, lda);
+
+      #pragma omp sections
+      {
 
         // g_occ
         #pragma omp section
@@ -557,391 +938,6 @@ void compute_r2_space_chol_gpu(const int nO, const int nV, const int cholesky_mo
 
         #pragma omp section
         {
-          double* d_J1;
-          cudaMalloc((void **)&d_J1, nO*nV*nV*nO * sizeof(double));
-
-          alpha = 1.0;
-          beta =  0.0;
-          A = d_cc_space_v_ovvo; lda = nO*nV;
-          B = d_cc_space_v_ovvo; ldb = nO*nV;
-          C = d_J1; ldc = nO*nV;
-          cublasDgeam(handle, CUBLAS_OP_N, CUBLAS_OP_N, nO*nV, nV*nO, &alpha, A, lda, &beta, B, ldb, C, ldc);
-
-
-          double* d_X_ovoo;
-          cudaMalloc((void **)&d_X_ovoo, nO*nV*nO*nO * sizeof(double));
-          alpha = 0.0;
-          beta =  1.0;
-           for (int i=0 ; i<nO ; ++i) {
-             cudaStreamCreate(&(stream[i]));
-           }
-          for (int j=0 ; j<nO ; ++j) {
-            for (int i=0 ; i<nO ; ++i) {
-              cublasSetStream(handle, stream[i]);
-              A = &(d_X_ovoo[nO*nV*(i+nO*j)]); lda = nO;
-              B = &(d_cc_space_v_ovoo[nO*nV*(j+nO*i)]); ldb = nO;
-              C = &(d_X_ovoo[nO*nV*(i+nO*j)]); ldc = nO;
-              cublasDgeam(handle, CUBLAS_OP_N, CUBLAS_OP_N, nO, nV, &alpha, A, lda, &beta, B, ldb, C, ldc);
-            }
-          }
-          for (int i=0 ; i<nO ; ++i) {
-            cudaStreamDestroy(stream[i]);
-          }
-          cublasSetStream(handle, NULL);
-
-
-          double* d_Y_ovov;
-          cudaMalloc((void **)&d_Y_ovov, nO*nV*nO*nV * sizeof(double));
-
-          alpha = 1.0;
-          beta  = 0.0;
-          m=nO*nV*nO;  n=nV;  k=nO;
-          A=d_X_ovoo;  lda=nO*nV*nO;
-          B=d_t1;  ldb=nO;
-          C=d_Y_ovov;  ldc=nO*nV*nO;
-          cublasDgemm(handle, CUBLAS_OP_N, CUBLAS_OP_N, m, n, k, &alpha, A, lda, B, ldb, &beta, C, ldc);
-          cudaFree(d_X_ovoo);
-
-          alpha = 1.0;
-          beta =  -1.0;
-          for (int i=0 ; i<nV ; ++i) {
-            cudaStreamCreate(&(stream[i]));
-          }
-          for (int j=0 ; j<nO ; ++j) {
-            for (int i=0 ; i<nV ; ++i) {
-              cublasSetStream(handle, stream[i]);
-              A = &(d_J1[nO*nV*(i+nV*j)]); lda = nO;
-              B = &(d_Y_ovov[nO*nV*(j+nO*i)]); ldb = nO;
-              C = &(d_J1[nO*nV*(i+nV*j)]); ldc = nO;
-              cublasDgeam(handle, CUBLAS_OP_N, CUBLAS_OP_N, nO, nV, &alpha, A, lda, &beta, B, ldb, C, ldc);
-            }
-          }
-          for (int i=0 ; i<nV ; ++i) {
-            cudaStreamDestroy(stream[i]);
-          }
-          cublasSetStream(handle, NULL);
-
-          double* d_tmp_cc;
-          cudaMalloc((void **)&d_tmp_cc, cholesky_mo_num*nV*nO * sizeof(double));
-
-          alpha = 1.0;
-          beta  = 0.0;
-          m=cholesky_mo_num*nV;  n=nO;  k=nV;
-          A=d_cc_space_v_vv_chol;  lda=cholesky_mo_num*nV;
-          B=d_t1;  ldb=nO;
-          C=d_tmp_cc;  ldc=cholesky_mo_num*nV;
-          cublasDgemm(handle, CUBLAS_OP_N, CUBLAS_OP_T, m, n, k, &alpha, A, lda, B, ldb, &beta, C, ldc);
-
-          double* d_J1_tmp;
-          cudaMalloc((void **)&d_J1_tmp, nV*nO*nV*nO * sizeof(double));
-
-          alpha = 1.0;
-          beta  = 0.0;
-          m=nV*nO;  n=nV*nO;  k=cholesky_mo_num;
-          A=d_tmp_cc;  lda=cholesky_mo_num;
-          B=d_cc_space_v_vo_chol;  ldb=cholesky_mo_num;
-          C=d_J1_tmp;  ldc=nV*nO;
-          cublasDgemm(handle, CUBLAS_OP_T, CUBLAS_OP_N, m, n, k, &alpha, A, lda, B, ldb, &beta, C, ldc);
-
-          cudaFree(d_tmp_cc);
-
-          alpha = 1.0;
-          beta =  1.0;
-          for (int i=0 ; i<nO ; ++i) {
-            cudaStreamCreate(&(stream[i]));
-          }
-          for (int i=0 ; i<nO ; ++i) {
-              cublasSetStream(handle, stream[i]);
-              A = &(d_J1[nO*nV*nV*i]); lda = nO*nV;
-              B = &(d_J1_tmp[nV*nO*nV*i]); ldb = nV;
-              C = &(d_J1[nO*nV*nV*i]); ldc = nO*nV;
-              cublasDgeam(handle, CUBLAS_OP_N, CUBLAS_OP_T, nO*nV, nV, &alpha, A, lda, &beta, B, ldb, C, ldc);
-          }
-          for (int i=0 ; i<nO ; ++i) {
-            cudaStreamDestroy(stream[i]);
-          }
-          cublasSetStream(handle, NULL);
-          cudaFree(d_J1_tmp);
-
-          double* d_X_voov;
-          cudaMalloc((void **)&d_X_voov, nV*nO*nO*nV * sizeof(double));
-
-          for (int i=0 ; i<nV ; ++i) {
-            cudaStreamCreate(&(stream[i]));
-          }
-          alpha = 0.5;
-          for (int j=0 ; j<nO ; ++j) {
-            for (int b=0 ; b<nV ; ++b) {
-              cublasSetStream(handle, stream[b]);
-              beta = t1[j+b*nO];
-              A = &(d_t2[nO*(j + nO*nV*b)]); lda = nO*nO;
-              B = d_t1; ldb = nO;
-              C = &(d_Y_ovov[nO*(b+nV*j)]); ldc = nO*nV*nO;
-              cublasDgeam(handle, CUBLAS_OP_N, CUBLAS_OP_N, nO, nV, &alpha, A, lda, &beta, B, ldb, C, ldc);
-            }
-          }
-          alpha = 1.0;
-          beta  = 0.0;
-          for (int j=0 ; j<nO ; ++j) {
-            for (int b=0 ; b<nV ; ++b) {
-              cublasSetStream(handle, stream[b]);
-              A = &(d_cc_space_v_vvoo[nV*(b+nV*nO*j)]); lda = nV*nV;
-              B = &(d_cc_space_v_vvoo[nV*(b+nV*nO*j)]); ldb = nV*nV;
-              C = &(d_X_voov[nV*nO*(j+nO*b)]); ldc = nV;
-              cublasDgeam(handle, CUBLAS_OP_N, CUBLAS_OP_N, nV, nO, &alpha, A, lda, &beta, B, ldb, C, ldc);
-            }
-          }
-          for (int i=0 ; i<nV ; ++i) {
-            cudaStreamDestroy(stream[i]);
-          }
-          cublasSetStream(handle, NULL);
-
-          double* d_Z_ovvo;
-          cudaMalloc((void **)&d_Z_ovvo, nO*nV*nV*nO * sizeof(double));
-
-          alpha = -1.0;
-          beta  = 0.0;
-          m=nO*nV;  n=nV*nO;  k=nO*nV;
-          A=d_Y_ovov;  lda=nO*nV;
-          B=d_X_voov;  ldb=nV*nO;
-          C=d_Z_ovvo;  ldc=nO*nV;
-          cublasDgemm(handle, CUBLAS_OP_N, CUBLAS_OP_T, m, n, k, &alpha, A, lda, B, ldb, &beta, C, ldc);
-          cudaFree(d_X_voov);
-          cudaFree(d_Y_ovov);
-
-          alpha = 1.0;
-          beta =  1.0;
-          for (int i=0 ; i<nV ; ++i) {
-            cudaStreamCreate(&(stream[i]));
-          }
-          for (int i=0 ; i<nO ; ++i) {
-            for (int b=0 ; b<nV ; ++b) {
-              cublasSetStream(handle, stream[b]);
-              A = &(d_J1[nO*nV*(b+nV*i)]); lda = nO;
-              B = &(d_Z_ovvo[nO*(b+nV*nV*i)]); ldb=nO*nV;
-              C = &(d_J1[nO*nV*(b+nV*i)]); ldc = nO;
-              cublasDgeam(handle, CUBLAS_OP_N, CUBLAS_OP_N, nO, nV, &alpha, A, lda, &beta, B, ldb, C, ldc);
-            }
-          }
-
-          double* d_Y_vovo;
-          cudaMalloc((void **)&d_Y_vovo, nV*nO*nV*nO * sizeof(double));
-
-          alpha = 1.0;
-          beta = -0.5;
-          for (int j=0 ; j<nO ; ++j) {
-            for (int i=0 ; i<nO ; ++i) {
-              cublasSetStream(handle, stream[i]);
-              A = &(d_cc_space_v_vvoo[nV*nV*(i+nO*j)]); lda = nV;
-              B = &(d_cc_space_v_vvoo[nV*nV*(i+nO*j)]); ldb = nV;
-              C = &(d_Y_vovo[nV*(i+nO*nV*j)]); ldc = nV*nO;
-              cublasDgeam(handle, CUBLAS_OP_N, CUBLAS_OP_T, nV, nV, &alpha, A, lda, &beta, B, ldb, C, ldc);
-            }
-          }
-
-          double* d_X_ovvo;
-          cudaMalloc((void **)&d_X_ovvo, nO*nV*nV*nO * sizeof(double));
-
-          alpha = 1.0;
-          beta =  0.0;
-          for (int j=0 ; j<nO ; ++j) {
-            for (int b=0 ; b<nV ; ++b) {
-              cublasSetStream(handle, stream[b]);
-              A = &(d_t2[nO*(j+nO*nV*b)]); lda = nO*nO;
-              B = &(d_t2[nO*(j+nO*nV*b)]); ldb = nO*nO;
-              C = &(d_X_ovvo[nO*nV*(b+nV*j)]); ldc = nO;
-              cublasDgeam(handle, CUBLAS_OP_N, CUBLAS_OP_N, nO, nV, &alpha, A, lda, &beta, B, ldb, C, ldc);
-            }
-          }
-          for (int i=0 ; i<nV ; ++i) {
-            cudaStreamDestroy(stream[i]);
-          }
-          cublasSetStream(handle, NULL);
-
-          alpha = 1.0;
-          beta  = 0.0;
-          m=nO*nV;  n=nV*nO;  k=nV*nO;
-          A=d_X_ovvo;  lda=nO*nV;
-          B=d_Y_vovo;  ldb=nV*nO;
-          C=d_Z_ovvo;  ldc=nO*nV;
-         cublasDgemm(handle, CUBLAS_OP_N, CUBLAS_OP_T, m, n, k, &alpha, A, lda, B, ldb, &beta, C, ldc);
-          cudaFree(d_X_ovvo);
-          cudaFree(d_Y_vovo);
-
-          for (int i=0 ; i<nV ; ++i) {
-            cudaStreamCreate(&(stream[i]));
-          }
-          alpha = 1.0;
-          beta =  1.0;
-          for (int i=0 ; i<nO ; ++i) {
-            for (int b=0 ; b<nV ; ++b) {
-              cublasSetStream(handle, stream[b]);
-              A = &(d_J1[nO*nV*(b+nV*i)]); lda = nO;
-              B = &(d_Z_ovvo[nO*(b+nV*nV*i)]); ldb = nO*nV;
-              C = &(d_J1[nO*nV*(b+nV*i)]); ldc = nO;
-              cublasDgeam(handle, CUBLAS_OP_N, CUBLAS_OP_N, nO, nV, &alpha, A, lda, &beta, B, ldb, C, ldc);
-            }
-          }
-          for (int i=0 ; i<nV ; ++i) {
-            cudaStreamDestroy(stream[i]);
-          }
-          cublasSetStream(handle, NULL);
-
-          cudaFree(d_Z_ovvo);
-
-          lda = nO*nV;
-          cublasGetMatrix(nO*nV, nV*nO, sizeof(double), d_J1, lda, J1, lda);
-          cudaFree(d_J1);
-
-        }
-
-        #pragma omp section
-        {
-          double* d_K1;
-          cudaMalloc((void **)&d_K1, nO*nV*nO*nV * sizeof(double));
-
-          alpha = 1.0;
-          beta =  0.0;
-          A = d_cc_space_v_ovov; lda = nO*nV;
-          B = d_cc_space_v_ovov; ldb = nO*nV;
-          C = d_K1; ldc = nO*nV;
-          cublasDgeam(handle, CUBLAS_OP_N, CUBLAS_OP_N, nO*nV, nO*nV, &alpha, A, lda, &beta, B, ldb, C, ldc);
-
-          alpha = -1.0;
-          beta  = 1.0;
-          m=nO*nV*nO;  n=nV;  k=nO;
-          A=d_cc_space_v_ovoo;  lda=nO*nV*nO;
-          B=d_t1;  ldb=nO;
-          C=d_K1;  ldc=nO*nV*nO;
-          cublasDgemm(handle, CUBLAS_OP_N, CUBLAS_OP_N, m, n, k, &alpha, A, lda, B, ldb, &beta, C, ldc);
-
-          double* d_X;
-          cudaMalloc((void **)&d_X, nV*nO*nV*nO * sizeof(double));
-
-          double* d_Y;
-          cudaMalloc((void **)&d_Y, nO*nV*nV*nO * sizeof(double));
-
-          for (int i=0 ; i<nV ; ++i) {
-            cudaStreamCreate(&(stream[i]));
-          }
-          alpha =-1.0;
-          beta =  0.0;
-          for (int j=0 ; j<nO ; ++j) {
-            for (int i=0 ; i<nO ; ++i) {
-              cublasSetStream(handle, stream[i]);
-              A = &(d_cc_space_v_vvoo[nV*nV*(i+nO*j)]); lda = nV;
-              B = &(d_cc_space_v_vvoo[nV*nV*(i+nO*j)]); ldb = nV;
-              C = &(d_X[nV*(j+nO*nV*i)]); ldc = nV*nO;
-              cublasDgeam(handle, CUBLAS_OP_N, CUBLAS_OP_N, nV, nV, &alpha, A, lda, &beta, B, ldb, C, ldc);
-            }
-          }
-
-          alpha = 0.5;
-          for (int j=0 ; j<nO ; ++j) {
-            for (int b=0 ; b<nV ; ++b) {
-              cublasSetStream(handle, stream[b]);
-              beta = t1[j+b*nO];
-              A = &(d_t2[nO*(j+nO*nV*b)]); lda = nO*nO;
-              B = d_t1; ldb = nO;
-              C = &(d_Y[nO*(b+nV*nV*j)]); ldc = nO*nV;
-              cublasDgeam(handle, CUBLAS_OP_N, CUBLAS_OP_N, nO, nV, &alpha, A, lda, &beta, B, ldb, C, ldc);
-            }
-          }
-          for (int i=0 ; i<nV ; ++i) {
-            cudaStreamDestroy(stream[i]);
-          }
-          cublasSetStream(handle, NULL);
-
-          double* d_Z;
-          cudaMalloc((void **)&d_Z, nO*nV*nV*nO * sizeof(double));
-
-          alpha = 1.0;
-          beta  = 0.0;
-          m=nV*nO;  n=nO*nV;  k=nV*nO;
-          A=d_Y;  lda=nO*nV;
-          B=d_X;  ldb=nV*nO;
-          C=d_Z;  ldc=nO*nV;
-          cublasDgemm(handle, CUBLAS_OP_N, CUBLAS_OP_N, m, n, k, &alpha, A, lda, B, ldb, &beta, C, ldc);
-
-          cudaFree(d_X);
-          cudaFree(d_Y);
-
-
-          double* d_t1v;
-          cudaMalloc((void **)&d_t1v, cholesky_mo_num*nO*nO * sizeof(double));
-
-          alpha = 1.0;
-          beta  = 0.0;
-          m=cholesky_mo_num*nO;  n=nO;  k=nV;
-          A=d_cc_space_v_ov_chol;  lda=cholesky_mo_num*nO;
-          B=d_t1;  ldb=nO;
-          C=d_t1v;  ldc=cholesky_mo_num*nO;
-          cublasDgemm(handle, CUBLAS_OP_N, CUBLAS_OP_T, m, n, k, &alpha, A, lda, B, ldb, &beta, C, ldc);
-
-          double* d_K1tmp;
-          cudaMalloc((void **)&d_K1tmp, nO*nO*nV*nV * sizeof(double));
-
-          alpha = 1.0;
-          beta  = 0.0;
-          m=nO*nO;  n=nV*nV;  k=cholesky_mo_num;
-          A=d_t1v;  lda=cholesky_mo_num;
-          B=d_cc_space_v_vv_chol;  ldb=cholesky_mo_num;
-          C=d_K1tmp;  ldc=nO*nO;
-          cublasDgemm(handle, CUBLAS_OP_T, CUBLAS_OP_N, m, n, k, &alpha, A, lda, B, ldb, &beta, C, ldc);
-          cudaFree(d_t1v);
-
-
-          for (int i=0 ; i<nV ; ++i) {
-            cudaStreamCreate(&(stream[i]));
-          }
-          alpha = 1.0;
-          beta =  1.0;
-          for (int i=0 ; i<nO ; ++i) {
-            for (int b=0 ; b<nV ; ++b) {
-              cublasSetStream(handle, stream[b]);
-              A = &(d_K1[nO*nV*(i+nO*b)]); lda = nO;
-              B = &(d_K1tmp[nO*(i+nO*nV*b)]); ldb = nO*nO;
-              C = &(d_K1[nO*nV*(i+nO*b)]); ldc = nO;
-              cublasDgeam(handle, CUBLAS_OP_N, CUBLAS_OP_N, nO, nV, &alpha, A, lda, &beta, B, ldb, C, ldc);
-            }
-          }
-
-          for (int i=0 ; i<nO ; ++i) {
-            for (int b=0 ; b<nV ; ++b) {
-              cublasSetStream(handle, stream[b]);
-              A = &(d_K1[nO*nV*(i+nO*b)]); lda = nO;
-              B = &(d_Z[nO*(b+nV*nV*i)]); ldb = nO*nV;
-              C = &(d_K1[nO*nV*(i+nO*b)]); ldc = nO;
-              cublasDgeam(handle, CUBLAS_OP_N, CUBLAS_OP_N, nO, nV, &alpha, A, lda, &beta, B, ldb, C, ldc);
-            }
-          }
-
-          for (int i=0 ; i<nV ; ++i) {
-            cudaStreamDestroy(stream[i]);
-          }
-          cublasSetStream(handle, NULL);
-          cudaFree(d_K1tmp);
-          cudaFree(d_Z);
-
-          lda = nO*nV;
-          cublasGetMatrix(nO*nV, nO*nV, sizeof(double), d_K1, lda, K1, lda);
-          cudaFree(d_K1);
-
-        }
-
-      } // end sections
-
-      #pragma omp barrier
-
-      #pragma omp sections
-      {
-        #pragma omp section
-        {
-          double* d_K1;
-          lda = nO*nV;
-          cudaMalloc((void **)&d_K1, nO*nV*nO*nV * sizeof(double));
-          cublasSetMatrix(lda, nO*nV, sizeof(double), K1, lda, d_K1, lda);
-
           double* d_J1;
           lda = nO*nV;
           cudaMalloc((void **)&d_J1, nO*nV*nV*nO * sizeof(double));
@@ -1034,7 +1030,89 @@ void compute_r2_space_chol_gpu(const int nO, const int nV, const int cholesky_mo
 
         }
 
+        #pragma omp section
+        {
+          double* d_X_ovov;
+          cudaMalloc((void **)&d_X_ovov, nO*nV*nO*nV * sizeof(double));
 
+          double* d_Y_ovov;
+          cudaMalloc((void **)&d_Y_ovov, nO*nV*nO*nV * sizeof(double));
+
+          for (int i=0 ; i<nV ; ++i) {
+            cudaStreamCreate(&(stream[i]));
+          }
+          alpha = 0.5;
+          beta =  0.0;
+          for (int a=0 ; a<nV ; ++a) {
+            for (int b=0 ; b<nV ; ++b) {
+              cublasSetStream(handle, stream[b]);
+              A = &(d_K1[nO*(a+nV*nO*b)]); lda = nO*nV;
+              B = &(d_K1[nO*(a+nV*nO*b)]); ldb = nO*nV;
+              C = &(d_X_ovov[nO*(a+nV*nO*b)]); ldc = nO*nV;
+              cublasDgeam(handle, CUBLAS_OP_T, CUBLAS_OP_N, nO, nO, &alpha, A, lda, &beta, B, ldb, C, ldc);
+            }
+          }
+          alpha = 1.0;
+          for (int v=0 ; v<nO ; ++v) {
+            for (int g=0 ; g<nV ; ++g) {
+              cublasSetStream(handle, stream[g]);
+              A = &(d_t2[nO*(v+nO*g)]); lda = nO*nO*nV;
+              B = &(d_t2[nO*(v+nO*g)]); ldb = nO*nO*nV;
+              C = &(d_Y_ovov[nO*nV*(v+nO*g)]); ldc = nO;
+              cublasDgeam(handle, CUBLAS_OP_N, CUBLAS_OP_N, nO, nV, &alpha, A, lda, &beta, B, ldb, C, ldc);
+            }
+          }
+          for (int i=0 ; i<nV ; ++i) {
+            cudaStreamDestroy(stream[i]);
+          }
+          cublasSetStream(handle, NULL);
+
+          double* d_Z_ovov;
+          cudaMalloc((void **)&d_Z_ovov, nO*nV*nO*nV * sizeof(double));
+
+          alpha = 1.0;
+          beta  = 0.0;
+          m=nO*nV;  n=nO*nV;  k=nO*nV;
+          A=d_X_ovov;  lda=nO*nV;
+          B=d_Y_ovov;  ldb=nO*nV;
+          C=d_Z_ovov;  ldc=nO*nV;
+          cublasDgemm(handle, CUBLAS_OP_T, CUBLAS_OP_N, m, n, k, &alpha, A, lda, B, ldb, &beta, C, ldc);
+
+          cudaFree(d_X_ovov);
+          cudaFree(d_Y_ovov);
+
+          for (int i=0 ; i<nV ; ++i) {
+            cudaStreamCreate(&(stream[i]));
+          }
+          alpha = 1.0;
+          beta = -1.0;
+          for (int b=0 ; b<nV ; ++b) {
+            for (int g=0 ; g<nV ; ++g) {
+              cublasSetStream(handle, stream[g]);
+              A = &(d_r2[nO*nO*(b+nV*g)]); lda = nO;
+              B = &(d_Z_ovov[nO*(b+nV*nO*g)]); ldb = nO*nV;
+              C = &(d_r2[nO*nO*(b+nV*g)]); ldc = nO;
+              cublasDgeam(handle, CUBLAS_OP_N, CUBLAS_OP_N, nO, nO, &alpha, A, lda, &beta, B, ldb, C, ldc);
+            }
+            for (int g=0 ; g<nV ; ++g) {
+              cublasSetStream(handle, stream[g]);
+              A = &(d_r2[nO*nO*(b+nV*g)]); lda = nO;
+              B = &(d_Z_ovov[nO*(g+nV*nO*b)]); ldb = nO*nV;
+              C = &(d_r2[nO*nO*(b+nV*g)]); ldc = nO;
+              cublasDgeam(handle, CUBLAS_OP_N, CUBLAS_OP_T, nO, nO, &alpha, A, lda, &beta, B, ldb, C, ldc);
+            }
+          }
+          for (int i=0 ; i<nV ; ++i) {
+            cudaStreamDestroy(stream[i]);
+          }
+          cublasSetStream(handle, NULL);
+          cudaFree(d_Z_ovov);
+
+        }
+
+        #pragma omp section
+        {
+        }
       } // end sections