diff --git a/src/cluster/Makefile b/src/cluster/Makefile
index 22bc637a66fc67ed87f40b4355315a0e34ba87c8..3fc31183a257fd5a8b03603383f4b21d88a09231 100644
--- a/src/cluster/Makefile
+++ b/src/cluster/Makefile
@@ -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)
diff --git a/src/cluster/cluster.cpp b/src/cluster/cluster.cpp
index 4591b28aa6bda3f1483f0e0190af7bea94d934f2..ea86b7391d43f9b420f9bbfbcf9a16f3a16090c3 100644
--- a/src/cluster/cluster.cpp
+++ b/src/cluster/cluster.cpp
@@ -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];
diff --git a/src/include/lapack_calls.h b/src/include/lapack_calls.h
index 0270a05c148944960c8091b2c45f278c7981db8e..52996a53139c0f2e2a846abe06c11680a662bf0c 100644
--- a/src/include/lapack_calls.h
+++ b/src/include/lapack_calls.h
@@ -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
diff --git a/src/libnptm/Makefile b/src/libnptm/Makefile
index b2fbc322c6b1a227ba0e29e80cd2d8e8c2c688bd..7fedc1fb6428c37d76d6369a4fae310ead7f8c7b 100644
--- a/src/libnptm/Makefile
+++ b/src/libnptm/Makefile
@@ -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
diff --git a/src/libnptm/lapack_calls.cpp b/src/libnptm/lapack_calls.cpp
index 0a6eaf3480b8098e3160a36d5214c5b6fbe79741..f57e31dac87db4ec0c3c96dfd7ed80d060855d92 100644
--- a/src/libnptm/lapack_calls.cpp
+++ b/src/libnptm/lapack_calls.cpp
@@ -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;