QPMS
/
qpms
1
0
Fork 0
Code Issues Pull Requests Projects Releases Wiki Activity

Translation-cached version of modeproblem matrix. 

Former-commit-id: c76945d915138870e1a4f150038705a5fa82ce48
This commit is contained in:
Marek Nečada 2020-01-28 06:18:14 +02:00
parent 775976816e
commit 338fc00bfe
3 changed files with 209 additions and 22 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

24
qpms/scatsys_private.h
View File

@ -1,11 +1,19 @@
#ifndef QPMS_SCATSYS_PRIVATE_H
#define QPMS_SCATSYS_PRIVATE_H
/*
* This file includes some definitions shared between scatsystem.c
* and scatsys_translation_booster.c that are not needed anywhere
* else.
*/
#include "scatsystem.h"
#include <pthread.h>
complex double *qpms_scatsysw_build_modeproblem_matrix_full_boosted(
complex double *target, const qpms_scatsys_at_omega_t *ssw);
complex double *qpms_scatsysw_build_modeproblem_matrix_irrep_packed_boosted(
complex double *target_packed, const qpms_scatsys_at_omega_t *ssw, qpms_iri_t iri);
/// "private" destructor, called by qpms_scatsys_free()
void qpms_scatsys_translation_booster_free(struct qpms_scatsys_translation_booster *);
/// "private" constructor, use qpms_ss_create_translation_cache() instead.
@ -18,4 +26,16 @@ qpms_scatsysw_translation_booster_create(const qpms_scatsys_at_omega_t *ssw);
/// "private" destructor, called by qpms_scatsys_at_omega_free()
void qpms_scatsysw_translation_booster_free(struct qpms_scatsysw_translation_booster *);
#endif
struct qpms_scatsysw_build_modeproblem_matrix_irrep_packed_parallelR_thread_arg{
const qpms_scatsys_at_omega_t *ssw;
qpms_ss_pi_t *opistartR_ptr;
pthread_mutex_t *opistartR_mutex;
qpms_iri_t iri;
complex double *target_packed;
};
void *qpms_scatsysw_build_modeproblem_matrix_irrep_packed_parallelR_thread_boosted(void *arg);
#endif //QPMS_SCATSYS_PRIVATE_H

191
qpms/scatsys_translation_booster.c
View File

@ -10,10 +10,18 @@
#include "vectors.h"
#include "qpms_error.h"
#include "qpms_specfunc.h"
#include "groups.h"
#define SQ(x) ((x)*(x))
#define MAX(x, y) (((x) > (y)) ? (x) : (y))
#ifdef QPMS_SCATSYSTEM_USE_OWN_BLAS
#include "qpmsblas.h"
#define SERIAL_ZGEMM qpms_zgemm
#else
#define SERIAL_ZGEMM cblas_zgemm
#endif
typedef size_t ppid_t;
typedef size_t uoppid_t;
@ -140,7 +148,7 @@ void qpms_scatsys_translation_booster_free(booster_t *b) {
}
int qpms_ss_create_translation_cache(qpms_scatsys_t *ss, qpms_ss_caching_mode_t m) {
QPMS_ASSERT(ss);
QPMS_ASSERT(ss);
if (ss->tbooster) {
QPMS_WARN("Translation cache already created?");
return 0;
@ -154,8 +162,8 @@ QPMS_ASSERT(ss);
ss->tbooster = qpms_scatsys_translation_booster_create(ss);
if (ss->tbooster) return 0;
else {
QPMS_WARN("Failed to create tranlation operator cache");
return -1;
QPMS_WARN("Failed to create tranlation operator cache");
return -1;
}
default:
QPMS_WTF;
@ -225,6 +233,10 @@ complex double *qpms_scatsysw_build_modeproblem_matrix_full_boosted(
QPMS_CRASHING_MALLOC(target, SQ(full_len) * sizeof(complex double));
complex double *tmp;
QPMS_CRASHING_MALLOC(tmp, SQ(ss->max_bspecn) * sizeof(complex double));
// Workspaces for the translation operator A and B matrices
complex double *A, *B;
QPMS_CRASHING_MALLOC(A, SQ(c->nelem) * sizeof(*A));
QPMS_CRASHING_MALLOC(B, SQ(c->nelem) * sizeof(*B));
memset(target, 0, SQ(full_len) * sizeof(complex double)); //unnecessary?
double legendre_buf[gsl_sf_legendre_array_n(2*c->lMax + 1)]; //VLA, workspace for legendre arrays
const complex double zero = 0, minusone = -1;
@ -251,18 +263,16 @@ complex double *qpms_scatsysw_build_modeproblem_matrix_full_boosted(
QPMS_PARANOID_ASSERT(c->normalisation == bspecC->norm && c->normalisation == bspecR->norm);
QPMS_PARANOID_ASSERT(c->lMax >= bspecC->lMax && c->lMax >= bspecR->lMax);
QPMS_PARANOID_ASSERT(bspecC->lMax_L < 0 && bspecR->lMax_L < 0);
complex double A[pair_nelem][pair_nelem]; // VLA, TODO flatten
complex double B[pair_nelem][pair_nelem]; // VLA, TODO flatten
{ // this replaces qpms_trans_calculator_get_AB_arrays() and ..._buf()
const double costheta = cos(dlj.theta);
QPMS_ENSURE_SUCCESS(gsl_sf_legendre_array_e(GSL_SF_LEGENDRE_NONE,
2*c->lMax+1, costheta, -1, legendre_buf));
2*pair_lMax+1, costheta, -1, legendre_buf));
const double * const legendres = legendre_buf;
const complex double * const bessels = bw->bessels + b->bessel_offsets_r[ri];
qpms_trans_calculator_get_AB_arrays_precalcbuf(c, pair_lMax, A[0], B[0],
qpms_trans_calculator_get_AB_arrays_precalcbuf(c, pair_lMax, A, B,
/*deststride*/ pair_nelem, /*srcstride*/ 1, dlj.phi, bessels, legendres);
qpms_trans_array_from_AB(tmp,// tmp is S(piR<-piC)
bspecR, bspecC->n, bspecC, 1, A[0], B[0], pair_lMax);
bspecR, bspecC->n, bspecC, 1, A, B, pair_lMax);
}
}
cblas_zgemm(CblasRowMajor, CblasNoTrans, CblasNoTrans,
@ -281,5 +291,170 @@ complex double *qpms_scatsysw_build_modeproblem_matrix_full_boosted(
for (size_t i = 0; i < full_len; ++i) target[full_len * i + i] = +1;
free(tmp);
free(A);
free(B);
return target;
}
void *qpms_scatsysw_build_modeproblem_matrix_irrep_packed_parallelR_thread_boosted(void *arg)
{
const struct qpms_scatsysw_build_modeproblem_matrix_irrep_packed_parallelR_thread_arg
*a = arg;
const qpms_scatsys_at_omega_t *ssw = a->ssw;
const complex double k = ssw->wavenumber;
const qpms_scatsys_t *ss = ssw->ss;
const qpms_iri_t iri = a->iri;
const size_t packedlen = ss->saecv_sizes[iri];
QPMS_ASSERT(ssw->translation_cache && ssw->ss->tbooster);
const booster_t *const b = ss->tbooster;
const boosterw_t *const bw = ssw->translation_cache;
const qpms_trans_calculator *const c = ss->c;
// some of the following workspaces are probably redundant; TODO optimize later.
// workspaces for the uncompressed particle<-particle tranlation matrix block
// and the result of multiplying with a T-matrix (times -1)
complex double *Sblock, *TSblock;
QPMS_CRASHING_MALLOC(Sblock, sizeof(complex double)*SQ(ss->max_bspecn));
QPMS_CRASHING_MALLOC(TSblock, sizeof(complex double)*SQ(ss->max_bspecn));
// Workspaces for the translation operator A and B matrices
complex double *A, *B;
QPMS_CRASHING_MALLOC(A, SQ(c->nelem) * sizeof(*A));
QPMS_CRASHING_MALLOC(B, SQ(c->nelem) * sizeof(*B));
double legendre_buf[gsl_sf_legendre_array_n(2*c->lMax + 1)]; //VLA, workspace for legendre arrays
// Workspace for the intermediate particle-orbit matrix result
complex double *tmp;
QPMS_CRASHING_MALLOC(tmp, sizeof(complex double) * SQ(ss->max_bspecn) * ss->sym->order);
const complex double one = 1, zero = 0, minusone = -1;
while(1) {
// In the beginning, pick a target (row) orbit for this thread
QPMS_ENSURE_SUCCESS(pthread_mutex_lock(a->opistartR_mutex));
if(*(a->opistartR_ptr) >= ss->p_count) {// Everything is already done, end
QPMS_ENSURE_SUCCESS(pthread_mutex_unlock(a->opistartR_mutex));
break;
}
const qpms_ss_pi_t opistartR = *(a->opistartR_ptr);
// Now increment it for another thread:
*(a->opistartR_ptr) += ss->orbit_types[ss->p_orbitinfo[ss->p_by_orbit[opistartR]].t].size;
QPMS_ENSURE_SUCCESS(pthread_mutex_unlock(a->opistartR_mutex));
// Orbit picked (defined by opistartR), do the work.
const qpms_ss_pi_t orbitstartpiR = ss->p_by_orbit[opistartR];
const qpms_ss_oti_t otiR = ss->p_orbitinfo[orbitstartpiR].t;
const qpms_ss_osn_t osnR = ss->p_orbitinfo[orbitstartpiR].osn;
const qpms_ss_orbit_type_t *const otR = ss->orbit_types + otiR;
const qpms_ss_orbit_pi_t orbit_p_countR = otR->size;
const size_t orbit_packedsizeR = otR->irbase_sizes[iri];
if(orbit_packedsizeR) { // avoid zgemm crash on empty irrep
const size_t particle_fullsizeR = otR->bspecn; // == bspecR->n
const qpms_vswf_set_spec_t *bspecR = ssw->tm[ss->p[orbitstartpiR].tmatrix_id]->spec;
// This is the orbit-level matrix projecting the whole orbit onto the irrep.
const complex double *omR = otR->irbases + otR->irbase_offsets[iri];
// Orbit coeff vector's full size:
const size_t orbit_fullsizeR = otR->size * otR->bspecn;
// This is where the orbit starts in the "packed" vector:
const size_t packed_orbit_offsetR =
ss->saecv_ot_offsets[iri*ss->orbit_type_count + otiR]
+ osnR * otR->irbase_sizes[iri];
for(qpms_ss_orbit_pi_t opiR = 0; opiR < orbit_p_countR; ++opiR) {
for(qpms_ss_orbit_pi_t opiR = 0; opiR < orbit_p_countR; ++opiR) {
qpms_ss_pi_t piR = ss->p_by_orbit[opistartR + opiR];
assert(opiR == ss->p_orbitinfo[piR].p);
assert(otiR == ss->p_orbitinfo[piR].t);
assert(ss->p_orbitinfo[piR].osn == osnR);
const cart3_t posR = ss->p[piR].pos;
// dest particle T-matrix
const complex double *tmmR = ssw->tm[ss->p[piR].tmatrix_id]->m;
for(qpms_ss_pi_t piC = 0; piC < ss->p_count; ++piC) { //Column loop
const qpms_ss_oti_t otiC = ss->p_orbitinfo[piC].t;
const qpms_ss_orbit_type_t *const otC = ss->orbit_types + otiC;
const qpms_ss_osn_t osnC = ss->p_orbitinfo[piC].osn;
const qpms_ss_orbit_pi_t opiC = ss->p_orbitinfo[piC].p;
// This is where the particle's orbit starts in the "packed" vector:
const size_t packed_orbit_offsetC =
ss->saecv_ot_offsets[iri*ss->orbit_type_count + otiC]
+ osnC * otC->irbase_sizes[iri];
const qpms_vswf_set_spec_t *bspecC = ssw->tm[ss->p[piC].tmatrix_id]->spec;
// Orbit coeff vector's full size:
const size_t orbit_fullsizeC = otC->size * otC->bspecn;
const size_t particle_fullsizeC = otC->bspecn; // == bspecC->n
const size_t orbit_packedsizeC = otC->irbase_sizes[iri];
// This is the orbit-level matrix projecting the whole orbit onto the irrep.
const complex double *omC = otC->irbases + otC->irbase_offsets[iri];
if(orbit_packedsizeC) { // avoid zgemm crash on empty irrep
if(piC != piR) { // non-diagonal, calculate TS
const cart3_t posC = ss->p[piC].pos;
#if 0
QPMS_ENSURE_SUCCESS(qpms_trans_calculator_get_trans_array_lc3p(ss->c,
Sblock, // Sblock is S(piR->piC)
bspecR, bspecC->n, bspecC, 1,
k, posR, posC, QPMS_HANKEL_PLUS));
#endif
{ // this block replaces qpms_trans_calculator_get_trans_array():
// R is dest, C is src
const sph_t dlj = cart2sph(cart3_substract(posR, posC));
const uoppid_t pid = uopairid(ss->p_count, piC, piR);
const size_t ri = b->r_map[pid];
QPMS_PARANOID_ASSERT(dlj.r == b->r[ri]);
const qpms_l_t pair_lMax = b->lMax_r[ri];
const qpms_y_t pair_nelem = qpms_lMax2nelem(pair_lMax);
{ // this replaces qpms_trans_calculator_get_AB_arrays() and _buf()
const double costheta = cos(dlj.theta);
QPMS_ENSURE_SUCCESS(gsl_sf_legendre_array_e(GSL_SF_LEGENDRE_NONE,
2*pair_lMax+1, costheta, -1, legendre_buf));
const double * const legendres = legendre_buf;
const complex double * const bessels = bw->bessels + b->bessel_offsets_r[ri];
qpms_trans_calculator_get_AB_arrays_precalcbuf(c, pair_lMax, A, B,
/*deststride*/ pair_nelem, /*srcstride*/ 1, dlj.phi, bessels, legendres);
}
qpms_trans_array_from_AB(Sblock, // Sblock is S(piR->piC)
bspecR, bspecC->n, bspecC, 1, A, B, pair_lMax);
}
SERIAL_ZGEMM(CblasRowMajor, CblasNoTrans, CblasNoTrans,
bspecR->n /*m*/, bspecC->n /*n*/, bspecR->n /*k*/,
&minusone/*alpha*/, tmmR/*a*/, bspecR->n/*lda*/,
Sblock/*b*/, bspecC->n/*ldb*/, &zero/*beta*/,
TSblock /*c*/, bspecC->n /*ldc*/);
} else { // diagonal, fill with diagonal +1
for (size_t row = 0; row < bspecR->n; ++row)
for (size_t col = 0; col < bspecC->n; ++col)
TSblock[row * bspecC->n + col] = (row == col)? +1 : 0;
}
// tmp[oiR|piR,piC] = ∑_K M[piR,K] U*[K,piC]
SERIAL_ZGEMM(CblasRowMajor, CblasNoTrans, CblasConjTrans,
particle_fullsizeR /*M*/, orbit_packedsizeC /*N*/, particle_fullsizeC /*K*/,
&one /*alpha*/, TSblock/*A*/, particle_fullsizeC/*ldA*/,
omC + opiC*particle_fullsizeC /*B*/,
orbit_fullsizeC/*ldB*/, &zero /*beta*/,
tmp /*C*/, orbit_packedsizeC /*LDC*/);
// target[oiR|piR,oiC|piC] += U[...] tmp[...]
SERIAL_ZGEMM(CblasRowMajor, CblasNoTrans, CblasNoTrans,
orbit_packedsizeR /*M*/, orbit_packedsizeC /*N*/, particle_fullsizeR /*K*/,
&one /*alpha*/, omR + opiR*particle_fullsizeR/*A*/, orbit_fullsizeR/*ldA*/,
tmp /*B*/, orbit_packedsizeC /*ldB*/, &one /*beta*/,
a->target_packed + packedlen*packed_orbit_offsetR + packed_orbit_offsetC /*C*/,
packedlen /*ldC*/);
}
}
}
}
}
}
free(tmp);
free(A);
free(B);
free(Sblock);
free(TSblock);
return NULL;
}

16
qpms/scatsystem.c
View File

@ -1403,14 +1403,6 @@ complex double *qpms_scatsysw_build_modeproblem_matrix_irrep_packed_orbitorderR(
return target_packed;
}
struct qpms_scatsysw_build_modeproblem_matrix_irrep_packed_parallelR_thread_arg{
const qpms_scatsys_at_omega_t *ssw;
qpms_ss_pi_t *opistartR_ptr;
pthread_mutex_t *opistartR_mutex;
qpms_iri_t iri;
complex double *target_packed;
};
static void *qpms_scatsysw_build_modeproblem_matrix_irrep_packed_parallelR_thread(void *arg)
{
const struct qpms_scatsysw_build_modeproblem_matrix_irrep_packed_parallelR_thread_arg
@ -1529,9 +1521,6 @@ static void *qpms_scatsysw_build_modeproblem_matrix_irrep_packed_parallelR_threa
}
}
}
}
free(tmp);
free(Sblock);
@ -1733,6 +1722,7 @@ complex double *qpms_scatsysw_build_modeproblem_matrix_irrep_packed(
const qpms_scatsys_at_omega_t *ssw, qpms_iri_t iri
)
{
const _Bool use_translation_cache = (ssw->translation_cache != NULL);
const size_t packedlen = ssw->ss->saecv_sizes[iri];
if (!packedlen) // THIS IS A BIT PROBLEMATIC, TODO how to deal with empty irreps?
return target_packed;
@ -1765,7 +1755,9 @@ complex double *qpms_scatsysw_build_modeproblem_matrix_irrep_packed(
pthread_t thread_ids[nthreads];
for(long thi = 0; thi < nthreads; ++thi)
QPMS_ENSURE_SUCCESS(pthread_create(thread_ids + thi, NULL,
qpms_scatsysw_build_modeproblem_matrix_irrep_packed_parallelR_thread,
use_translation_cache
? qpms_scatsysw_build_modeproblem_matrix_irrep_packed_parallelR_thread_boosted
: qpms_scatsysw_build_modeproblem_matrix_irrep_packed_parallelR_thread,
(void *) &arg));
for(long thi = 0; thi < nthreads; ++thi) {
void *retval;