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Commit 345f4191 authored by Giovanni La Mura's avatar Giovanni La Mura
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Fix output index in sphere_jxi488_cycle() to account for first index in thread

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with 58 additions and 27 deletions
src/sphere/sphere.cpp
+ 58
− 27
View file @ 345f4191
...@@ -548,6 +548,7 @@ int sphere_jxi488_cycle( ...@@ -548,6 +548,7 @@ int sphere_jxi488_cycle(
Logger *logger = new Logger(LOG_INFO); Logger *logger = new Logger(LOG_INFO);
int oindex = 0; int oindex = 0;
int jxi = jxi488 + 1; int jxi = jxi488 + 1;
int jxindex = jxi - oi->first_xi;
int nsph = gconf->number_of_spheres; int nsph = gconf->number_of_spheres;
int l_max = gconf->l_max; int l_max = gconf->l_max;
int in_pol = gconf->in_pol; int in_pol = gconf->in_pol;
...@@ -570,14 +571,14 @@ int sphere_jxi488_cycle( ...@@ -570,14 +571,14 @@ int sphere_jxi488_cycle(
if (idfc >= 0) { if (idfc >= 0) {
vk = xi * wn; vk = xi * wn;
vkarg = vk; vkarg = vk;
oi->vec_vk[jxi488] = vk; oi->vec_vk[jxindex] = vk;
oi->vec_xi[jxi488] = xi; oi->vec_xi[jxindex] = xi;
} else { // IDFC < 0 } else { // IDFC < 0
vk = sconf->xip * wn; vk = sconf->xip * wn;
vkarg = xi * vk; vkarg = xi * vk;
sqsfi = 1.0 / (xi * xi); sqsfi = 1.0 / (xi * xi);
oi->vec_vk[jxi488] = vk; oi->vec_vk[jxindex] = vk;
oi->vec_xi[jxi488] = xi; oi->vec_xi[jxindex] = xi;
} }
vtppoanp->append_line(VirtualBinaryLine(vk)); vtppoanp->append_line(VirtualBinaryLine(vk));
double thsca = (gconf->isam > 1) ? sa->ths - sa->th : 0.0; double thsca = (gconf->isam > 1) ? sa->ths - sa->th : 0.0;
...@@ -607,7 +608,7 @@ int sphere_jxi488_cycle( ...@@ -607,7 +608,7 @@ int sphere_jxi488_cycle(
if (nsh % 2 == 0) sid->c1->dc0[ici] = exdc; if (nsh % 2 == 0) sid->c1->dc0[ici] = exdc;
dme(l_max, i, npnt, npntts, vkarg, exdc, exri, sid->c1, jer, lcalc, sid->arg); dme(l_max, i, npnt, npntts, vkarg, exdc, exri, sid->c1, jer, lcalc, sid->arg);
if (jer != 0) { if (jer != 0) {
oi->vec_ier[jxi] = 1; oi->vec_ier[jxindex] = 1;
oi->lcalc = lcalc; oi->lcalc = lcalc;
return jer; return jer;
} }
...@@ -635,7 +636,7 @@ int sphere_jxi488_cycle( ...@@ -635,7 +636,7 @@ int sphere_jxi488_cycle(
int i = i170 + 1; int i = i170 + 1;
if (sid->c1->iog[i170] >= i) { if (sid->c1->iog[i170] >= i) {
last_configuration++; last_configuration++;
oindex = jxi488 * configurations + last_configuration - 1; oindex = jxindex * configurations + last_configuration - 1;
double albeds = sid->c1->sscs[i170] / sid->c1->sexs[i170]; double albeds = sid->c1->sscs[i170] / sid->c1->sexs[i170];
sid->c1->sqscs[i170] *= sqsfi; sid->c1->sqscs[i170] *= sqsfi;
sid->c1->sqabs[i170] *= sqsfi; sid->c1->sqabs[i170] *= sqsfi;
...@@ -698,15 +699,15 @@ int sphere_jxi488_cycle( ...@@ -698,15 +699,15 @@ int sphere_jxi488_cycle(
} // End if iog[i170] >= i } // End if iog[i170] >= i
} // i170 loop } // i170 loop
if (nsph != 1) { if (nsph != 1) {
oi->vec_fsat[jxi488] = sid->tfsas; oi->vec_fsat[jxindex] = sid->tfsas;
double csch = 2.0 * vk * sqsfi / sid->c1->gcs; double csch = 2.0 * vk * sqsfi / sid->c1->gcs;
dcomplex s0 = sid->tfsas * exri; dcomplex s0 = sid->tfsas * exri;
double qschu = csch * imag(s0); double qschu = csch * imag(s0);
double pschu = csch * real(s0); double pschu = csch * real(s0);
double s0mag = cs0 * cabs(s0); double s0mag = cs0 * cabs(s0);
oi->vec_qschut[jxi488] = qschu; oi->vec_qschut[jxindex] = qschu;
oi->vec_pschut[jxi488] = pschu; oi->vec_pschut[jxindex] = pschu;
oi->vec_s0magt[jxi488] = s0mag; oi->vec_s0magt[jxindex] = s0mag;
} }
double th = sa->th; double th = sa->th;
int done_dirs = 0; int done_dirs = 0;
...@@ -721,12 +722,11 @@ int sphere_jxi488_cycle( ...@@ -721,12 +722,11 @@ int sphere_jxi488_cycle(
for (int jph484 = 0; jph484 < sa->nph; jph484++) { for (int jph484 = 0; jph484 < sa->nph; jph484++) {
int jph = jph484 + 1; int jph = jph484 + 1;
bool goto182 = (sa->nk == 1) && (jxi > 1); bool goto182 = (sa->nk == 1) && (jxi > 1);
double cost, sint, cosp, sinp;
if (!goto182) { 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) { 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++) { for (int i183 = 0; i183 < nsph; i183++) {
double rapr = sid->c1->sexs[i183] - sid->gaps[i183]; double rapr = sid->c1->sexs[i183] - sid->gaps[i183];
frx = rapr * sid->u[0]; frx = rapr * sid->u[0];
...@@ -752,16 +752,15 @@ int sphere_jxi488_cycle( ...@@ -752,16 +752,15 @@ int sphere_jxi488_cycle(
double phs = sa->phs; double phs = sa->phs;
for (int jphs480 = 0; jphs480 < sa->nphs; jphs480++) { for (int jphs480 = 0; jphs480 < sa->nphs; jphs480++) {
int jphs = jphs480 + 1; int jphs = jphs480 + 1;
double costs, sints, cosps, sinps;
if (gconf->isam >= 1) { if (gconf->isam >= 1) {
phs = ph + phsph; phs = ph + phsph;
if (phs >= 360.0) phs -= 360.0; if (phs >= 360.0) phs -= 360.0;
} }
bool goto190 = (nks == 1) && ((jxi > 1) || (jth > 1) || (jph > 1)); bool goto190 = (nks == 1) && ((jxi > 1) || (jth > 1) || (jph > 1));
if (!goto190) { 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) { 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) { if (nkks != 0 || jxi == 1) {
...@@ -772,10 +771,10 @@ int sphere_jxi488_cycle( ...@@ -772,10 +771,10 @@ int sphere_jxi488_cycle(
); );
if (gconf->isam < 0) { if (gconf->isam < 0) {
wmasp( wmasp(
cost, sint, cosp, sinp, costs, sints, cosps, sinps, sid->cost, sid->sint, sid->cosp, sid->sinp, sid->costs,
sid->u, sid->up, sid->un, sid->us, sid->ups, sid->uns, sid->sints, sid->cosps, sid->sinps, sid->u, sid->up,
isq, ibf, in_pol, l_max, 0, nsph, sid->argi, sid->args, sid->un, sid->us, sid->ups, sid->uns, isq, ibf, in_pol,
sid->c1 l_max, 0, nsph, sid->argi, sid->args, sid->c1
); );
} }
for (int i193 = 0; i193 < 3; i193++) { for (int i193 = 0; i193 < 3; i193++) {
...@@ -823,24 +822,24 @@ int sphere_jxi488_cycle( ...@@ -823,24 +822,24 @@ int sphere_jxi488_cycle(
last_configuration = 0; last_configuration = 0;
for (int ns226 = 0; ns226 < nsph; ns226++) { for (int ns226 = 0; ns226 < nsph; ns226++) {
int ns = ns226 + 1; 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_sas11[oindex] = sid->c1->sas[ns226][0][0];
oi->vec_dir_sas21[oindex] = sid->c1->sas[ns226][1][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_sas12[oindex] = sid->c1->sas[ns226][0][1];
oi->vec_dir_sas22[oindex] = sid->c1->sas[ns226][1][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_fx[jxindex * 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_fy[jxindex * 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_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]; for (int i225 = 0; i225 < 16; i225++) sid->c1->vint[i225] = sid->c1->vints[ns226][i225];
mmulc(sid->c1->vint, sid->cmullr, sid->cmul); mmulc(sid->c1->vint, sid->cmullr, sid->cmul);
for (int imul = 0; imul < 4; imul++) { 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++) { for (int jmul = 0; jmul < 4; jmul++) {
oi->vec_dir_muls[muls_index + jmul] = sid->cmul[imul][jmul]; oi->vec_dir_muls[muls_index + jmul] = sid->cmul[imul][jmul];
} }
} }
for (int imul = 0; imul < 4; imul++) { 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++) { for (int jmul = 0; jmul < 4; jmul++) {
oi->vec_dir_mulslr[muls_index + jmul] = sid->cmullr[imul][jmul]; oi->vec_dir_mulslr[muls_index + jmul] = sid->cmullr[imul][jmul];
} }
...@@ -867,7 +866,7 @@ int sphere_jxi488_cycle( ...@@ -867,7 +866,7 @@ int sphere_jxi488_cycle(
} // jph484 loop on elevation } // jph484 loop on elevation
th += sa->thstp; th += sa->thstp;
} // jth486 loop on azimuth } // 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"); logger->log("INFO: finished scale iteration " + to_string(jxi) + " of " + to_string(nxi) + ".\n");
return jer; return jer;
} }
...@@ -886,6 +885,14 @@ SphereIterationData::SphereIterationData( ...@@ -886,6 +885,14 @@ SphereIterationData::SphereIterationData(
c1 = new ParticleDescriptorSphere(gconf, sconf); c1 = new ParticleDescriptorSphere(gconf, sconf);
argi = new double[1](); argi = new double[1]();
args = 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; scan = 0.0;
cfmp = 0.0; cfmp = 0.0;
cfsp = 0.0; cfsp = 0.0;
...@@ -959,6 +966,14 @@ SphereIterationData::SphereIterationData(const SphereIterationData &rhs) { ...@@ -959,6 +966,14 @@ SphereIterationData::SphereIterationData(const SphereIterationData &rhs) {
args = new double[1]; args = new double[1];
argi[0] = rhs.argi[0]; argi[0] = rhs.argi[0];
args[0] = rhs.args[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; scan = rhs.scan;
cfmp = rhs.cfmp; cfmp = rhs.cfmp;
cfsp = rhs.cfsp; cfsp = rhs.cfsp;
...@@ -1095,6 +1110,14 @@ SphereIterationData::SphereIterationData(const mixMPI *mpidata, const int device ...@@ -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(&arg, 1, MPI_C_DOUBLE_COMPLEX, 0, MPI_COMM_WORLD);
MPI_Bcast(&s0, 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(&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(&scan, 1, MPI_DOUBLE, 0, MPI_COMM_WORLD);
MPI_Bcast(&cfmp, 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); MPI_Bcast(&cfsp, 1, MPI_DOUBLE, 0, MPI_COMM_WORLD);
...@@ -1173,6 +1196,14 @@ int SphereIterationData::mpibcast(const mixMPI *mpidata) { ...@@ -1173,6 +1196,14 @@ int SphereIterationData::mpibcast(const mixMPI *mpidata) {
MPI_Bcast(&arg, 1, MPI_C_DOUBLE_COMPLEX, 0, MPI_COMM_WORLD); 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(&s0, 1, MPI_C_DOUBLE_COMPLEX, 0, MPI_COMM_WORLD);
MPI_Bcast(&tfsas, 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(&scan, 1, MPI_DOUBLE, 0, MPI_COMM_WORLD);
MPI_Bcast(&cfmp, 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); MPI_Bcast(&cfsp, 1, MPI_DOUBLE, 0, MPI_COMM_WORLD);
......
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