Commit 345f4191 authored by Giovanni La Mura's avatar Giovanni La Mura
Browse files

Fix output index in sphere_jxi488_cycle() to account for first index in thread

parent f3d6bb8c

src/sphere/sphere.cpp

+58 −27
Original line number Diff line number Diff line
@@ -548,6 +548,7 @@ int sphere_jxi488_cycle( 
  Logger *logger = new Logger(LOG_INFO);

  int oindex = 0;

  int jxi = jxi488 + 1;

  int jxindex = jxi - oi->first_xi;

  int nsph = gconf->number_of_spheres;

  int l_max = gconf->l_max;

  int in_pol = gconf->in_pol;
@@ -570,14 +571,14 @@ int sphere_jxi488_cycle( 
  if (idfc >= 0) {

    vk = xi * wn;

    vkarg = vk;

    oi->vec_vk[jxi488] = vk;

    oi->vec_xi[jxi488] = xi;

    oi->vec_vk[jxindex] = vk;

    oi->vec_xi[jxindex] = xi;

  } else { // IDFC < 0

    vk = sconf->xip * wn;

    vkarg = xi * vk;

    sqsfi = 1.0 / (xi * xi);

    oi->vec_vk[jxi488] = vk;

    oi->vec_xi[jxi488] = xi;

    oi->vec_vk[jxindex] = vk;

    oi->vec_xi[jxindex] = xi;

  }

  vtppoanp->append_line(VirtualBinaryLine(vk));

  double thsca = (gconf->isam > 1) ? sa->ths - sa->th : 0.0;
@@ -607,7 +608,7 @@ int sphere_jxi488_cycle( 
    if (nsh % 2 == 0) sid->c1->dc0[ici] = exdc;

    dme(l_max, i, npnt, npntts, vkarg, exdc, exri, sid->c1, jer, lcalc, sid->arg);

    if (jer != 0) {

      oi->vec_ier[jxi] = 1;

      oi->vec_ier[jxindex] = 1;

      oi->lcalc = lcalc;

      return jer;

    }
@@ -635,7 +636,7 @@ int sphere_jxi488_cycle( 
    int i = i170 + 1;

    if (sid->c1->iog[i170] >= i) {

      last_configuration++;

      oindex = jxi488 * configurations + last_configuration - 1;

      oindex = jxindex * configurations + last_configuration - 1;

      double albeds = sid->c1->sscs[i170] / sid->c1->sexs[i170];

      sid->c1->sqscs[i170] *= sqsfi;

      sid->c1->sqabs[i170] *= sqsfi;
@@ -698,15 +699,15 @@ int sphere_jxi488_cycle( 
    } // End if iog[i170] >= i

  } // i170 loop

  if (nsph != 1) {

    oi->vec_fsat[jxi488] = sid->tfsas;

    oi->vec_fsat[jxindex] = sid->tfsas;

    double csch = 2.0 * vk * sqsfi / sid->c1->gcs;

    dcomplex s0 = sid->tfsas * exri;

    double qschu = csch * imag(s0);

    double pschu = csch * real(s0);

    double s0mag = cs0 * cabs(s0);

    oi->vec_qschut[jxi488] = qschu;

    oi->vec_pschut[jxi488] = pschu;

    oi->vec_s0magt[jxi488] = s0mag;

    oi->vec_qschut[jxindex] = qschu;

    oi->vec_pschut[jxindex] = pschu;

    oi->vec_s0magt[jxindex] = s0mag;

  }

  double th = sa->th;

  int done_dirs = 0;
@@ -721,12 +722,11 @@ int sphere_jxi488_cycle( 
    for (int jph484 = 0; jph484 < sa->nph; jph484++) {

      int jph = jph484 + 1;

      bool goto182 = (sa->nk == 1) && (jxi > 1);

      double cost, sint, cosp, sinp;

      if (!goto182) {

	upvmp(th, ph, 0, cost, sint, cosp, sinp, sid->u, sid->upmp, sid->unmp);

	upvmp(th, ph, 0, sid->cost, sid->sint, sid->cosp, sid->sinp, sid->u, sid->upmp, sid->unmp);

      }

      if (gconf->isam >= 0) {

	wmamp(0, cost, sint, cosp, sinp, in_pol, l_max, 0, nsph, sid->argi, sid->u, sid->upmp, sid->unmp, sid->c1);

	wmamp(0, sid->cost, sid->sint, sid->cosp, sid->sinp, in_pol, l_max, 0, nsph, sid->argi, sid->u, sid->upmp, sid->unmp, sid->c1);

	for (int i183 = 0; i183 < nsph; i183++) {

	  double rapr = sid->c1->sexs[i183] - sid->gaps[i183];

	  frx = rapr * sid->u[0];
@@ -752,16 +752,15 @@ int sphere_jxi488_cycle( 
	double phs = sa->phs;

	for (int jphs480 = 0; jphs480 < sa->nphs; jphs480++) {

	  int jphs = jphs480 + 1;

	  double costs, sints, cosps, sinps;

	  if (gconf->isam >= 1) {

	    phs = ph + phsph;

	    if (phs >= 360.0) phs -= 360.0;

	  }

	  bool goto190 = (nks == 1) && ((jxi > 1) || (jth > 1) || (jph > 1));

	  if (!goto190) {

	    upvmp(ths, phs, icspnv, costs, sints, cosps, sinps, sid->us, sid->upsmp, sid->unsmp);

	    upvmp(ths, phs, icspnv, sid->costs, sid->sints, sid->cosps, sid->sinps, sid->us, sid->upsmp, sid->unsmp);

	    if (gconf->isam >= 0) {

	      wmamp(2, costs, sints, cosps, sinps, in_pol, l_max, 0, nsph, sid->args, sid->us, sid->upsmp, sid->unsmp, sid->c1);

	      wmamp(2, sid->costs, sid->sints, sid->cosps, sid->sinps, in_pol, l_max, 0, nsph, sid->args, sid->us, sid->upsmp, sid->unsmp, sid->c1);

	    }

	  }

	  if (nkks != 0 || jxi == 1) {
@@ -772,10 +771,10 @@ int sphere_jxi488_cycle( 
	    );

	    if (gconf->isam < 0) {

	      wmasp(

		cost, sint, cosp, sinp, costs, sints, cosps, sinps,

		sid->u, sid->up, sid->un, sid->us, sid->ups, sid->uns,

		isq, ibf, in_pol, l_max, 0, nsph, sid->argi, sid->args,

		sid->c1

		sid->cost, sid->sint, sid->cosp, sid->sinp, sid->costs,

		sid->sints, sid->cosps, sid->sinps, sid->u, sid->up,

		sid->un, sid->us, sid->ups, sid->uns, isq, ibf, in_pol,

		l_max, 0, nsph, sid->argi, sid->args, sid->c1

	      );

	    }

	    for (int i193 = 0; i193 < 3; i193++) {
@@ -823,24 +822,24 @@ int sphere_jxi488_cycle( 
	  last_configuration = 0;

	  for (int ns226 = 0; ns226 < nsph; ns226++) {

	    int ns = ns226 + 1;

	    oindex = jxi488 * nsph * ndirs + nsph * done_dirs + ns226;

	    oindex = jxindex * nsph * ndirs + nsph * done_dirs + ns226;

	    oi->vec_dir_sas11[oindex] = sid->c1->sas[ns226][0][0];

	    oi->vec_dir_sas21[oindex] = sid->c1->sas[ns226][1][0];

	    oi->vec_dir_sas12[oindex] = sid->c1->sas[ns226][0][1];

	    oi->vec_dir_sas22[oindex] = sid->c1->sas[ns226][1][1];

	    oi->vec_dir_fx[jxi488 * nsph * nth * nph + nsph * nph * (jth - 1) + nsph * (jph - 1) + ns226] = frx;

	    oi->vec_dir_fy[jxi488 * nsph * nth * nph + nsph * nph * (jth - 1) + nsph * (jph - 1) + ns226] = fry;

	    oi->vec_dir_fz[jxi488 * nsph * nth * nph + nsph * nph * (jth - 1) + nsph * (jph - 1) + ns226] = frz;

	    oi->vec_dir_fx[jxindex * nsph * nth * nph + nsph * nph * (jth - 1) + nsph * (jph - 1) + ns226] = frx;

	    oi->vec_dir_fy[jxindex * nsph * nth * nph + nsph * nph * (jth - 1) + nsph * (jph - 1) + ns226] = fry;

	    oi->vec_dir_fz[jxindex * nsph * nth * nph + nsph * nph * (jth - 1) + nsph * (jph - 1) + ns226] = frz;

	    for (int i225 = 0; i225 < 16; i225++) sid->c1->vint[i225] = sid->c1->vints[ns226][i225];

	    mmulc(sid->c1->vint, sid->cmullr, sid->cmul);

	    for (int imul = 0; imul < 4; imul++) {

	      int muls_index = 16 * jxi488 * nsph * ndirs + 16 * nsph * done_dirs + 4 * imul;

	      int muls_index = 16 * jxindex * nsph * ndirs + 16 * nsph * done_dirs + 4 * imul;

	      for (int jmul = 0; jmul < 4; jmul++) {

		oi->vec_dir_muls[muls_index + jmul] = sid->cmul[imul][jmul];

	      }

	    }

	    for (int imul = 0; imul < 4; imul++) {

	      int muls_index = 16 * jxi488 * nsph * ndirs + 16 * nsph * done_dirs + 4 * imul;

	      int muls_index = 16 * jxindex * nsph * ndirs + 16 * nsph * done_dirs + 4 * imul;

	      for (int jmul = 0; jmul < 4; jmul++) {

		oi->vec_dir_mulslr[muls_index + jmul] = sid->cmullr[imul][jmul];

	      }
@@ -867,7 +866,7 @@ int sphere_jxi488_cycle( 
    } // jph484 loop on elevation

    th += sa->thstp;

  } // jth486 loop on azimuth

  oi->vec_jxi[jxi488] = jxi;

  oi->vec_jxi[jxindex] = jxi;

  logger->log("INFO: finished scale iteration " + to_string(jxi) + " of " + to_string(nxi) + ".\n");

  return jer;

}
@@ -886,6 +885,14 @@ SphereIterationData::SphereIterationData( 
  c1 = new ParticleDescriptorSphere(gconf, sconf);

  argi = new double[1]();

  args = new double[1]();

  cost = 0.0;

  sint = 0.0;

  cosp = 0.0;

  sinp = 0.0;

  costs = 0.0;

  sints = 0.0;

  cosps = 0.0;

  sinps = 0.0;

  scan = 0.0;

  cfmp = 0.0;

  cfsp = 0.0;
@@ -959,6 +966,14 @@ SphereIterationData::SphereIterationData(const SphereIterationData &rhs) { 
  args = new double[1];

  argi[0] = rhs.argi[0];

  args[0] = rhs.args[0];

  cost = rhs.cost;

  sint = rhs.sint;

  cosp = rhs.cosp;

  sinp = rhs.sinp;

  costs = rhs.costs;

  sints = rhs.sints;

  cosps = rhs.cosps;

  sinps = rhs.sinps;

  scan = rhs.scan;

  cfmp = rhs.cfmp;

  cfsp = rhs.cfsp;
@@ -1095,6 +1110,14 @@ SphereIterationData::SphereIterationData(const mixMPI *mpidata, const int device 
  MPI_Bcast(&arg, 1, MPI_C_DOUBLE_COMPLEX, 0, MPI_COMM_WORLD);

  MPI_Bcast(&s0, 1, MPI_C_DOUBLE_COMPLEX, 0, MPI_COMM_WORLD);

  MPI_Bcast(&tfsas, 1, MPI_C_DOUBLE_COMPLEX, 0, MPI_COMM_WORLD);

  MPI_Bcast(&cost, 1, MPI_DOUBLE, 0, MPI_COMM_WORLD);

  MPI_Bcast(&sint, 1, MPI_DOUBLE, 0, MPI_COMM_WORLD);

  MPI_Bcast(&cosp, 1, MPI_DOUBLE, 0, MPI_COMM_WORLD);

  MPI_Bcast(&sinp, 1, MPI_DOUBLE, 0, MPI_COMM_WORLD);

  MPI_Bcast(&costs, 1, MPI_DOUBLE, 0, MPI_COMM_WORLD);

  MPI_Bcast(&sints, 1, MPI_DOUBLE, 0, MPI_COMM_WORLD);

  MPI_Bcast(&cosps, 1, MPI_DOUBLE, 0, MPI_COMM_WORLD);

  MPI_Bcast(&sinps, 1, MPI_DOUBLE, 0, MPI_COMM_WORLD);

  MPI_Bcast(&scan, 1, MPI_DOUBLE, 0, MPI_COMM_WORLD);

  MPI_Bcast(&cfmp, 1, MPI_DOUBLE, 0, MPI_COMM_WORLD);

  MPI_Bcast(&cfsp, 1, MPI_DOUBLE, 0, MPI_COMM_WORLD);
@@ -1173,6 +1196,14 @@ int SphereIterationData::mpibcast(const mixMPI *mpidata) { 
  MPI_Bcast(&arg, 1, MPI_C_DOUBLE_COMPLEX, 0, MPI_COMM_WORLD);

  MPI_Bcast(&s0, 1, MPI_C_DOUBLE_COMPLEX, 0, MPI_COMM_WORLD);

  MPI_Bcast(&tfsas, 1, MPI_C_DOUBLE_COMPLEX, 0, MPI_COMM_WORLD);

  MPI_Bcast(&cost, 1, MPI_DOUBLE, 0, MPI_COMM_WORLD);

  MPI_Bcast(&sint, 1, MPI_DOUBLE, 0, MPI_COMM_WORLD);

  MPI_Bcast(&cosp, 1, MPI_DOUBLE, 0, MPI_COMM_WORLD);

  MPI_Bcast(&sinp, 1, MPI_DOUBLE, 0, MPI_COMM_WORLD);

  MPI_Bcast(&costs, 1, MPI_DOUBLE, 0, MPI_COMM_WORLD);

  MPI_Bcast(&sints, 1, MPI_DOUBLE, 0, MPI_COMM_WORLD);

  MPI_Bcast(&cosps, 1, MPI_DOUBLE, 0, MPI_COMM_WORLD);

  MPI_Bcast(&sinps, 1, MPI_DOUBLE, 0, MPI_COMM_WORLD);

  MPI_Bcast(&scan, 1, MPI_DOUBLE, 0, MPI_COMM_WORLD);

  MPI_Bcast(&cfmp, 1, MPI_DOUBLE, 0, MPI_COMM_WORLD);

  MPI_Bcast(&cfsp, 1, MPI_DOUBLE, 0, MPI_COMM_WORLD);