Use LAPACK zgetri instead of lucin() (ffbff0ca) · Commits · Giacomo Mulas / NP_TMcode

src/cluster/Makefile

+1 −1

Original line number	Diff line number	Diff line
		@@ -46,7 +46,7 @@ $(BUILDDIR_CLU)/edfb_clu: $(OBJDIR) $(OBJDIR)/edfb_clu.o $(BUILDDIR_CLU)

		# We put $(LIBNPTM) as an object to link in directly, so that it will be found at runtime even if it is a shared object library. May change in the future when we have an install: target
		$(BUILDDIR_CLU)/np_cluster: $(OBJDIR) $(CXX_CLU_OBJS) $(BUILDDIR_CLU) $(LIBNPTM)
		$(CXX) $(CXXFLAGS) -o $(BUILDDIR_CLU)/np_cluster $(CXX_CLU_OBJS) $(LIBNPTM) $(CXXLDFLAGS)
		$(CXX) $(CXXFLAGS) -o $(BUILDDIR_CLU)/np_cluster $(CXX_CLU_OBJS) $(LIBNPTM) $(CXXLDFLAGS) -llapacke

		clean:
		rm -f $(F_CLU_OBJS) $(CXX_CLU_OBJS) $(CXX_CLU_DEBUG)

src/cluster/cluster.cpp

+17 −3

Original line number	Diff line number	Diff line
		@@ -32,6 +32,10 @@
		#include "../include/TransitionMatrix.h"
		#endif

		#ifndef INCLUDE_LAPACK_CALLS_H_
		#include "../include/lapack_calls.h"
		#endif

		using namespace std;

		/*! \brief C++ implementation of CLU
		@@ -124,7 +128,11 @@ void cluster(string config_file, string data_file, string output_path) {
		}
		C2 *c2 = new C2(nsph, configurations, npnt, npntts);
		complex<double> *am = new complex<double>[mxndm];
		for (int ai = 0; ai < mxndm; ai++) am[ai] = new complex<double>[mxndm]();
		//complex<double> *tam = new complex<double>[mxndm];
		for (int ai = 0; ai < mxndm; ai++) {
		am[ai] = new complex<double>[mxndm]();
		//tam[ai] = new complex<double>[mxndm]();
		}
		const int ndi = c4->nsph * c4->nlim;
		C9 c9 = new C9(ndi, c4->nlem, 2 ndi, 2 * c4->nlem);
		double *gaps = new double[nsph]();
		@@ -331,8 +339,10 @@ void cluster(string config_file, string data_file, string output_path) {
		if (jer != 0) break;
		} // i132 loop
		cms(am, c1, c1ao, c4, c6);
		//cms(tam, c1, c1ao, c4, c6);
		int ndit = 2 * nsph * c4->nlim;
		lucin(am, mxndm, ndit, jer);
		//lucin(am, mxndm, ndit, jer);
		zinvert(am, ndit, jer);
		if (jer != 0) break; // jxi488 loop: goes to memory clean
		ztm(am, c1, c1ao, c4, c6, c9);
		if (sconf->idfc >= 0) {
		@@ -910,8 +920,12 @@ void cluster(string config_file, string data_file, string output_path) {
		delete[] zpv[zi];
		}
		delete[] zpv;
		for (int ai = mxndm - 1; ai > -1; ai--) delete[] am[ai];
		for (int ai = mxndm - 1; ai > -1; ai--) {
		delete[] am[ai];
		//delete[] tam[ai];
		}
		delete[] am;
		//delete[] tam;
		delete[] gaps;
		for (int ti = 1; ti > -1; ti--) {
		delete[] tqse[ti];

src/include/lapack_calls.h

+2 −1

Original line number	Diff line number	Diff line
		@@ -14,7 +14,8 @@
		*
		* \param mat: Matrix of complex. The matrix to be inverted.
		* \param n: `int` The number of rows and columns of the [n x n] matrix.
		* \param jer: `int &` Reference to an integer return flag.
		*/
		void zinvert(std::complex<double> **mat, int n);
		void zinvert(std::complex<double> **mat, int n, int &jer);

		#endif

src/libnptm/Makefile

+3 −3

Original line number	Diff line number	Diff line
		@@ -19,11 +19,11 @@ endif
		include ../make.inc


		CXX_NPTM_OBJS=$(OBJDIR)/Commons.o $(OBJDIR)/Configuration.o $(OBJDIR)/file_io.o $(OBJDIR)/Parsers.o $(OBJDIR)/sph_subs.o $(OBJDIR)/clu_subs.o $(OBJDIR)/tfrfme.o $(OBJDIR)/tra_subs.o $(OBJDIR)/TransitionMatrix.o
		CXX_NPTM_OBJS=$(OBJDIR)/Commons.o $(OBJDIR)/Configuration.o $(OBJDIR)/file_io.o $(OBJDIR)/Parsers.o $(OBJDIR)/sph_subs.o $(OBJDIR)/clu_subs.o $(OBJDIR)/tfrfme.o $(OBJDIR)/tra_subs.o $(OBJDIR)/TransitionMatrix.o $(OBJDIR)/lapack_calls.o

		CXX_NPTM_DYNOBJS=$(DYNOBJDIR)/Commons.o $(DYNOBJDIR)/Configuration.o $(DYNOBJDIR)/file_io.o $(DYNOBJDIR)/Parsers.o $(DYNOBJDIR)/sph_subs.o $(DYNOBJDIR)/clu_subs.o $(DYNOBJDIR)/tfrfme.o $(DYNOBJDIR)/tra_subs.o $(DYNOBJDIR)/TransitionMatrix.o
		CXX_NPTM_DYNOBJS=$(DYNOBJDIR)/Commons.o $(DYNOBJDIR)/Configuration.o $(DYNOBJDIR)/file_io.o $(DYNOBJDIR)/Parsers.o $(DYNOBJDIR)/sph_subs.o $(DYNOBJDIR)/clu_subs.o $(DYNOBJDIR)/tfrfme.o $(DYNOBJDIR)/tra_subs.o $(DYNOBJDIR)/TransitionMatrix.o $(DYNOBJDIR)/lapack_calls.o

		CXX_NPTM_DEBUG=$(OBJDIR)/Commons.g* $(OBJDIR)/Configuration.g* $(OBJDIR)/file_io.g* $(OBJDIR)/Parsers.g* $(OBJDIR)/sph_subs.g* $(OBJDIR)/clu_subs.g* $(OBJDIR)/tfrfme.g* $(OBJDIR)/tra_subs.g* $(OBJDIR)/TransitionMatrix.g*
		CXX_NPTM_DEBUG=$(OBJDIR)/Commons.g* $(OBJDIR)/Configuration.g* $(OBJDIR)/file_io.g* $(OBJDIR)/Parsers.g* $(OBJDIR)/sph_subs.g* $(OBJDIR)/clu_subs.g* $(OBJDIR)/tfrfme.g* $(OBJDIR)/tra_subs.g* $(OBJDIR)/TransitionMatrix.g* $(OBJDIR)/lapack_calls.g*

		all: $(BUILDDIR_NPTM)/libnptm.a $(BUILDDIR_NPTM)/libnptm.so

src/libnptm/lapack_calls.cpp

+8 −8

Original line number	Diff line number	Diff line
		@@ -3,30 +3,30 @@
		#include "lapacke.h"

		#ifndef INCLUDE_LAPACK_CALLS_H_
		#define INCLUDE_LAPACK_CALLS_H_
		#include "../include/lapack_calls.h"
		#endif

		using namespace std;

		void zinvert(std::complex<double> **mat, int n){
		void zinvert(std::complex<double> **mat, int n, int &jer) {
		jer = 0;
		__complex__ double arr = new __complex__ double[n n];
		const __complex__ double uim = 1.0di;
		for (int i = 0; i < n; i++) {
		for (int j = 0; j < n; j++) {
		int idx = i * n + j;
		arr[idx] = mat[i][j].real() + uim * mat[i][j].imag();
		int idx = i + n * j;
		arr[idx] = mat[j][i].real() + uim * mat[j][i].imag();
		}
		}

		int* IPIV = new int[n];

		LAPACKE_zgetrf(LAPACK_ROW_MAJOR, N, N, arr, N, IPIV);
		LAPACKE_zgetri(LAPACK_ROW_MAJOR, N, arr, N, IPIV);
		LAPACKE_zgetrf(LAPACK_ROW_MAJOR, n, n, arr, n, IPIV);
		LAPACKE_zgetri(LAPACK_ROW_MAJOR, n, arr, n, IPIV);
		for (int i = 0; i < n; i++) {
		for (int j = 0; j < n; j++) {
		int idx = i * n + j;
		mat[i][j] = complex<double>(__real__ arr[idx], __imag__ arr[idx]);
		int idx = i + n * j;
		mat[j][i] = complex<double>(__real__ arr[idx], __imag__ arr[idx]);
		}
		}
		delete [] IPIV;