Commit 6293080a authored by Giovanni La Mura's avatar Giovanni La Mura
Browse files

Transform the AM matrix into a contiguous memory object and skip copying before LAPCK call

parent 8295d147

src/cluster/cluster.cpp

+6 −8
Original line number Original line Diff line number Diff line
@@ -144,9 +144,11 @@ void cluster(string config_file, string data_file, string output_path) { 
      if (sconf->iog_vec[ci -1] >= ci) configurations++;

      if (sconf->iog_vec[ci -1] >= ci) configurations++;

    }

    }

    C2 *c2 = new C2(nsph, configurations, npnt, npntts);

    C2 *c2 = new C2(nsph, configurations, npnt, npntts);

    dcomplex **am = new dcomplex*[mxndm];

    lapack_int ndit = 2 * nsph * c4->nlim;

    for (int ai = 0; ai < mxndm; ai++) {

    dcomplex *am_vector = new dcomplex[ndit * ndit]();

      am[ai] = new dcomplex[mxndm](); 

    dcomplex **am = new dcomplex*[ndit];

    for (int ai = 0; ai < ndit; ai++) {

      am[ai] = (am_vector + ai * ndit);

    }

    }

    const int ndi = c4->nsph * c4->nlim;

    const int ndi = c4->nsph * c4->nlim;

    C9 *c9 = new C9(ndi, c4->nlem, 2 * ndi, 2 * c4->nlem);

    C9 *c9 = new C9(ndi, c4->nlem, 2 * ndi, 2 * c4->nlem);
@@ -359,7 +361,6 @@ void cluster(string config_file, string data_file, string output_path) { 
	  if (jer != 0) break;

	  if (jer != 0) break;

	} // i132 loop

	} // i132 loop

	cms(am, c1, c1ao, c4, c6);

	cms(am, c1, c1ao, c4, c6);

	lapack_int ndit = 2 * nsph * c4->nlim;

	invert_matrix(am, ndit, jer, mxndm);

	invert_matrix(am, ndit, jer, mxndm);

	if (jer != 0) break; // jxi488 loop: goes to memory clean

	if (jer != 0) break; // jxi488 loop: goes to memory clean

	ztm(am, c1, c1ao, c4, c6, c9);

	ztm(am, c1, c1ao, c4, c6, c9);
@@ -937,10 +938,7 @@ void cluster(string config_file, string data_file, string output_path) { 
      delete[] zpv[zi];

      delete[] zpv[zi];

    }

    }

    delete[] zpv;

    delete[] zpv;

    for (int ai = mxndm - 1; ai > -1; ai--) {

    delete[] am_vector;

      delete[] am[ai];

      //delete[] tam[ai];

    }

    delete[] am;

    delete[] am;

    //delete[] tam;

    //delete[] tam;

    delete[] gaps;

    delete[] gaps;

src/libnptm/lapack_calls.cpp

+1 −14
Original line number Original line Diff line number Diff line
@@ -23,18 +23,12 @@ 
#ifdef USE_LAPACK

#ifdef USE_LAPACK

void zinvert(dcomplex **mat, lapack_int n, int &jer) {

void zinvert(dcomplex **mat, lapack_int n, int &jer) {

  jer = 0;

  jer = 0;

  dcomplex *arr = new dcomplex[n * n];

  dcomplex *arr = &(mat[0][0]);

  const dcomplex uim = 0.0 + 1.0 * I;

  const dcomplex uim = 0.0 + 1.0 * I;





#ifdef USE_MKL

#ifdef USE_MKL

  MKL_Complex16 *arr2 = (MKL_Complex16 *) arr;

  MKL_Complex16 *arr2 = (MKL_Complex16 *) arr;

#endif

#endif

  for (lapack_int i = 0; i < n; i++) {

    for (lapack_int j = 0; j < n; j++) {

      lapack_int idx = i + n * j;

      arr[idx] = mat[j][i];

    }

  }

  

  

  lapack_int* IPIV = new lapack_int[n]();

  lapack_int* IPIV = new lapack_int[n]();
@@ -46,13 +40,6 @@ void zinvert(dcomplex **mat, lapack_int n, int &jer) { 
  LAPACKE_zgetri(LAPACK_ROW_MAJOR, n, arr, n, IPIV);

  LAPACKE_zgetri(LAPACK_ROW_MAJOR, n, arr, n, IPIV);

#endif

#endif





  for (lapack_int i = 0; i < n; i++) {

    for (lapack_int j = 0; j < n; j++) {

      lapack_int idx = i + n * j;

      mat[j][i] = arr[idx];

    }

  }

  delete[] IPIV;

  delete[] IPIV;

  delete[] arr;

}

}

#endif
 
#endif