Commit dcbc6af8 authored by Giovanni La Mura's avatar Giovanni La Mura
Browse files

Add CLUSTER/INCLUSION vectors to ParticleDescriptorCluster::get_size()

parent ad13d19c

src/libnptm/Commons.cpp

+164 −7
Original line number Diff line number Diff line
@@ -1167,8 +1167,8 @@ long ParticleDescriptorCluster::get_size(GeometryConfiguration* gconf, Scatterer 
  dcomplex *vh; dcomplex *vj0; dcomplex *vyhj; dcomplex *vyj0; dcomplex **am0m; dcomplex **fsac;

  dcomplex **sac; dcomplex **fsacm; dcomplex *vintm; dcomplex *scscp; dcomplex *ecscp; dcomplex *scscpm;

  dcomplex *ecscpm; double *v3j0; double *scsc; double *ecsc; double *scscm; double *ecscm; int **ind3j;

  double *rac3j;

  25 root pointers

  double *rac3j; dcomplex *w; dcomplex *am0m; dcomplex *sac; dcomplex *fsac; dcomplex *fsacm; int *ind3j;

  31 root pointers



  dcomplex vj;

  1 dcomplex value
@@ -1183,13 +1183,12 @@ long ParticleDescriptorCluster::get_size(GeometryConfiguration* gconf, Scatterer 
  (4 * NLLT + NLEMT * NLEMT + 36 + NCOU * LITPO + NSPH * LMTPO

  + NCOU * LITPOS + NSPH * LMTPOS) dcomplex values



  w = new dcomplex*[nllt]; am0m = new dcomplex*[_nlemt]; sac = new dcomplex*[2];

  fsac = new dcomplex*[2]; fsacm = new dcomplex*[2]; ind3j = new int*[_lm + 1];

  

  vec_ind3j = new int[(_lm + 1) * _lm]();

  ((LM + 1) * LM) int values



  v3j0 = new double[_nv3j](); scsc = new double[2](); ecsc = new double[2]();

  scscm = new double[2](); ecscm = new double[2](); rac3j = new double[_lmtpo]();

  (8 + NV3J + LMTPO) double values

  // >>> END OF SECTION NEEDED BY CLUSTER AND INCLU <<< //

  */

  const int nsph = gconf->number_of_spheres;
@@ -1244,12 +1243,14 @@ long ParticleDescriptorCluster::get_size(GeometryConfiguration* gconf, Scatterer 
  result += sizeof(long) * (2 + 2 * ndit);

  // >>> NEEDED BY CLUSTER AND INCLU <<< //

  result += sizeof(int) * 29;

  result += sizeof(long) * 25;

  result += sizeof(long) * 31;

  result += sizeof(dcomplex);

  result += sizeof(dcomplex) * (

    4 * nllt + nlemt * nlemt + 36 + ncou * litpo + nsph * lmtpo

    + ncou * litpos + nsph * lmtpos

  );

  result += sizeof(int) * ((lm + 1) * lm);

  result += sizeof(double) * (8 + nv3j + lmtpo);

  return result;

}

// >>> End of ParticleDescriptorCluster class implementation. <<< //
@@ -1493,7 +1494,163 @@ ParticleDescriptorInclusion::ParticleDescriptorInclusion(const mixMPI *mpidata) 
#endif // MPI_VERSION



long ParticleDescriptorInclusion::get_size(GeometryConfiguration* gconf, ScattererConfiguration* sconf) {

  return 0;

  /*

  // >>> COMMON TO ALL DESCRIPTOR TYPES <<< //

  short _class_type; const short& class_type = _class_type;

  2 short values

  

  int _nsph; int _li; int _max_layers; int _num_configurations; int _num_layers;

  int _nhspo; int _npnt; int _npntts; int &nsph = _nsph; int &li = _li;

  int &max_layers = _max_layers; int &num_configurations = _num_configurations;

  int &num_layers = _num_layers; int &nhspo = _nhspo; int &npnt = _npnt;

  int &npntts = _npntts;

  16 int values

  

  dcomplex *vec_rmi; dcomplex *vec_rei; dcomplex *vec_w; double *vec_rc; dcomplex **rmi;

  dcomplex **rei; dcomplex **w; dcomplex *vint; double *rxx; double *ryy; double *rzz;

  double *ros; double **rc; int *iog; int *nshl; dcomplex *ris; dcomplex *dlri; dcomplex *dc0;

  dcomplex *vkt; double *vsz;

  20 root pointers

  

  double gcs;

  1 double value



  vec_rmi = new dcomplex[_li * _nsph]; vec_rei = new dcomplex[_li * _nsph]();

  vint = new dcomplex[16](); ris = new dcomplex[_nhspo]();

  dlri = new dcomplex[_nhspo](); vkt = new dcomplex[_nsph]();

  dc0 = new dcomplex[_max_layers + 1]();

  (2 * LI * NSPH + 16 + 2 * NHSPO + NSPH + MAX_LAYERS + 1) dcomplex values



  rmi = new dcomplex*[_li]; rei = new dcomplex*[_li]; rc = new double*[num_configurations];

  (2 * LI + NUM_CONF) long values



  vec_rc = new double[num_layers](); rxx = new double[nsph](); ryy = new double[nsph]();

  rzz = new double[nsph](); ros = new double[num_configurations](); vsz = new double[_nsph]();

  (NUM_LAYERS + NUM_CONF + 4 * NSPH) double values

  

  iog = new int[nsph](); nshl = new int[num_configurations]();

  (NSPH + NUM_CONF) int values

  // >>> END OF SECTION COMMON TO ALL DESCRIPTOR TYPES <<< //



  // >>> NEEDED BY CLUSTER AND INCLU <<<

  int _le; int _lm; int _nlim; int _nlem; int _nlemt; int _ncou; int _litpo; int _litpos;

  int _lmpo; int _lmtpo; int _lmtpos; int _nv3j; int _ndi; int _ndit; int& le = _le;

  int& lm = _lm; int& nlim = _nlim; int& nlem = _nlem; int& nlemt = _nlemt; int& ncou = _ncou;

  int& litpo = _litpo; int& litpos = _litpos; int& lmpo = _lmpo; int& lmtpo = _lmtpo;

  int& lmtpos = _lmtpos; int& nv3j = _nv3j; int& ndi = _ndi; int& ndit = _ndit; int& ndm = _ndm;

  29 int values



  dcomplex *vec_am0m; dcomplex *vec_fsac; dcomplex *vec_sac; dcomplex *vec_fsacm; int *vec_ind3j;

  dcomplex *vh; dcomplex *vj0; dcomplex *vyhj; dcomplex *vyj0; dcomplex **am0m; dcomplex **fsac;

  dcomplex **sac; dcomplex **fsacm; dcomplex *vintm; dcomplex *scscp; dcomplex *ecscp; dcomplex *scscpm;

  dcomplex *ecscpm; double *v3j0; double *scsc; double *ecsc; double *scscm; double *ecscm; int **ind3j;

  double *rac3j; dcomplex* w; dcomplex *am0m; dcomplex *sac; dcomplex *fsac; dcomplex *fsacm; int *ind3j;

  31 root pointers



  dcomplex vj;

  1 dcomplex value



  vec_w = new dcomplex[nllt * 4](); vec_am0m = new dcomplex[_nlemt * _nlemt]();

  vec_fsac = new dcomplex[4](); vec_sac = new dcomplex[4]();

  vec_fsacm = new dcomplex[4](); vh = new dcomplex[_ncou * _litpo]();

  vj0 = new dcomplex[_nsph * _lmtpo](); vyhj = new dcomplex[_ncou * _litpos]();

  vyj0 = new dcomplex[_nsph * _lmtpos](); vintm = new dcomplex[16]();

  scscp = new dcomplex[2](); ecscp = new dcomplex[2](); scscpm = new dcomplex[2]();

  ecscpm = new dcomplex[2]();

  (4 * NLLT + NLEMT * NLEMT + 36 + NCOU * LITPO + NSPH * LMTPO

  + NCOU * LITPOS + NSPH * LMTPOS) dcomplex values

  

  vec_ind3j = new int[(_lm + 1) * _lm]();



  v3j0 = new double[_nv3j](); scsc = new double[2](); ecsc = new double[2]();

  scscm = new double[2](); ecscm = new double[2](); rac3j = new double[_lmtpo]();

  // >>> END OF SECTION NEEDED BY CLUSTER AND INCLU <<< //



  // >>> NEEDED BY INCLU <<< //

  rm0 = new dcomplex[_le];

  re0 = new dcomplex[_le];

  rmw = new dcomplex[_le];

  rew = new dcomplex[_le];

  tm = new dcomplex[_le];

  te = new dcomplex[_le];

  tm0 = new dcomplex[_le];

  te0 = new dcomplex[_le];

  for (int ti = 0; ti < _le; ti++) {

    rm0[ti] = rhs.rm0[ti];

    re0[ti] = rhs.re0[ti];

    rmw[ti] = rhs.rmw[ti];

    rew[ti] = rhs.rew[ti];

    tm[ti] = rhs.tm[ti];

    te[ti] = rhs.te[ti];

    tm0[ti] = rhs.tm0[ti];

    te0[ti] = rhs.te0[ti];

  }

  vec_at = new dcomplex[_nlemt * _ndm];

  for (int vi = 0; vi < _nlemt * _ndm; vi++) vec_at[vi] = rhs.vec_at[vi];

  at = new dcomplex*[_nlemt];

  for (int ai = 0; ai < _nlemt; ai++) at[ai] = vec_at + (ai * _ndm);

  // >>> END OF SECTION NEEDED BY INCLU <<< //



  */

  const int nsph = gconf->number_of_spheres;

  const int npnt = gconf->npnt;

  const int npntts = gconf->npntts;

  const int max_n = (npnt > npntts) ? npnt : npntts;

  const int nhspo = 2 * max_n - 1;

  const int num_configurations = sconf->configurations;

  int num_layers = 0;

  int max_layers = 1;

  for (int nli = 0; nli < num_configurations; nli++) {

    int nl = sconf->get_nshl(nli);

    if (nli == 0 && sconf->use_external_sphere) nl++;

    num_layers += nl;

    if (nl >  max_layers) max_layers = nl;

  }

  // >>> COMMON TO ALL DESCRIPTOR TYPES <<< //

  const int li = gconf->li;

  const int le = gconf->le;

  const int lm = (li > le) ? li : le;

  const int nlim = li * (li + 2);

  const int nlem = le * (le + 2);

  const int nlemt = 2 * nlem;

  const int ncou = nsph * nsph - 1;

  const int litpo = li + li + 1;

  const int litpos = litpo * litpo;

  const int lmpo = lm + 1;

  const int lmtpo = li + le + 1;

  const int lmtpos = lmtpo * lmtpo;

  const int nv3j = (lm * (lm + 1) * (2 * lm + 7)) / 6;

  const int ndi = nsph * nlim;

  const int ndit = 2 * nsph * nlim;

  const int nllt = (nlemt == 0) ? 2 * nsph * li * (li + 2) : nlemt;

  long result = sizeof(short) * 2;

  result += sizeof(int) * 16;

  result += sizeof(long) * 20;

  result += sizeof(double);

  result += sizeof(dcomplex) * (2 * li * nsph + 16 + 2 * nhspo + nsph + max_layers + 1);

  result += sizeof(dcomplex) * (2 * li + num_configurations);

  result += sizeof(double) * (num_layers + num_configurations + 4 * nsph);

  result += sizeof(int) * (nsph + num_configurations);

  // >>> NEEDED BY SPHERE AND CLUSTER <<< //

  result += sizeof(long) * 12;

  result += sizeof(dcomplex) * (22 * nsph);

  result += sizeof(double) * (7 * nsph);

  result += sizeof(long) * (4 * nsph);

  // >>> NEEDED BY CLUSTER <<< //

  result += sizeof(long) * 9;

  result += sizeof(dcomplex);

  result += sizeof(double) * 3;

  result += sizeof(dcomplex) * (20 + 2 * ndi * nlem + ndit * nlemt);

  result += sizeof(long) * (2 + 2 * ndit);

  // >>> NEEDED BY CLUSTER AND INCLU <<< //

  result += sizeof(int) * 29;

  result += sizeof(long) * 25;

  result += sizeof(dcomplex);

  result += sizeof(dcomplex) * (

    4 * nllt + nlemt * nlemt + 36 + ncou * litpo + nsph * lmtpo

    + ncou * litpos + nsph * lmtpos

  );

  return result;

}



int ParticleDescriptorInclusion::update_orders(int inner_order, int outer_order) {

src/scripts/model_maker.py

+3 −1
Original line number Diff line number Diff line
@@ -939,12 +939,14 @@ def test_system_resources(model, gconf, sconf): 
                required_ram_bytes += 16 * (20 + 2 * ndi * nlem + ndit * nlemt)

                required_ram_bytes += 8 * (2 + 2 * ndit)

                required_ram_bytes += 4 * 29

                required_ram_bytes += 8 * 25

                required_ram_bytes += 8 * 31

                required_ram_bytes += 16

                required_ram_bytes += 16 * (

                    4 * nllt + nlemt * nlemt + 36 + ncou * litpo + nsph * lmtpo

                    + ncou * litpos + nsph * lmtpos

                )

                required_ram_bytes += 4 * ((lm + 1) * lm)

                required_ram_bytes += 8 * (8 + nv3j + lmtpo)

            else:

                print("ERROR: unrecognized application name \"%s\""%gconf['application'])

                raise KeyError("unrecognized application name \"{0:s}\"".format(gconf['application']))