Merge branch 'fix_order_4' into 'master' (a474a1a3) · Commits · Giacomo Mulas / NP_TMcode

build/Makefile.am

+1 −1

Original line number	Original line	Diff line number	Diff line
	LDADD=libnptm/libnptm.la -L/usr/lib64 ${USER_LDFLAGS} ${HDF5_LDFLAGS} ${LAPACKLDFLAGS} ${MAGMALDFLAGS}		LDADD=libnptm/libnptm.la -L/usr/lib64 ${USER_LDFLAGS} ${HDF5_LDFLAGS} ${LAPACKLDFLAGS} ${MAGMALDFLAGS}
	lib_LTLIBRARIES=libnptm/libnptm.la		lib_LTLIBRARIES=libnptm/libnptm.la
	libnptm_libnptm_la_SOURCES=../src/libnptm/algebraic.cpp ../src/libnptm/clu_subs.cpp ../src/libnptm/Commons.cpp ../src/libnptm/Configuration.cpp ../src/libnptm/file_io.cpp ../src/libnptm/lapack_calls.cpp ../src/libnptm/logging.cpp ../src/libnptm/magma_calls.cpp ../src/libnptm/Parsers.cpp ../src/libnptm/sph_subs.cpp ../src/libnptm/tfrfme.cpp ../src/libnptm/TransitionMatrix.cpp ../src/libnptm/tra_subs.cpp		libnptm_libnptm_la_SOURCES=../src/libnptm/algebraic.cpp ../src/libnptm/clu_subs.cpp ../src/libnptm/Commons.cpp ../src/libnptm/Configuration.cpp ../src/libnptm/file_io.cpp ../src/libnptm/lapack_calls.cpp ../src/libnptm/logging.cpp ../src/libnptm/magma_calls.cpp ../src/libnptm/Parsers.cpp ../src/libnptm/sph_subs.cpp ../src/libnptm/utils.cpp ../src/libnptm/tfrfme.cpp ../src/libnptm/TransitionMatrix.cpp ../src/libnptm/tra_subs.cpp
	if BUILDFORTRAN		if BUILDFORTRAN
	PROGS=cluster/edfb_clu cluster/clu cluster/np_cluster sphere/edfb_sph sphere/sph sphere/np_sphere trapping/frfme trapping/lffft trapping/np_trapping testing/test_TEDF testing/test_TTMS		PROGS=cluster/edfb_clu cluster/clu cluster/np_cluster sphere/edfb_sph sphere/sph sphere/np_sphere trapping/frfme trapping/lffft trapping/np_trapping testing/test_TEDF testing/test_TTMS
	bin_PROGRAMS=$(PROGS)		bin_PROGRAMS=$(PROGS)

build/Makefile.in

+11 −3

build/configure

+23 −1

Original line number	Original line	Diff line number	Diff line
	@@ -669,6 +669,7 @@ OFFLOADFLAGS
	BUILDFORTRAN_FALSE		BUILDFORTRAN_FALSE
	BUILDFORTRAN_TRUE		BUILDFORTRAN_TRUE
	ENABLE_ILP64		ENABLE_ILP64
			DEBUGFLAGS
	HDF5_LDFLAGS		HDF5_LDFLAGS
	CXXCPP		CXXCPP
	LT_SYS_LIBRARY_PATH		LT_SYS_LIBRARY_PATH
	@@ -813,6 +814,7 @@ with_aix_soname
	with_gnu_ld		with_gnu_ld
	with_sysroot		with_sysroot
	enable_libtool_lock		enable_libtool_lock
			enable_debug
	enable_ilp64		enable_ilp64
	enable_fortran		enable_fortran
	enable_offload		enable_offload
	@@ -1479,6 +1481,7 @@ Optional Features:
	--enable-fast-install[=PKGS]		--enable-fast-install[=PKGS]
	optimize for fast installation [default=yes]		optimize for fast installation [default=yes]
	--disable-libtool-lock avoid locking (might break parallel builds)		--disable-libtool-lock avoid locking (might break parallel builds)
			--enable-debug=FEATURE enable debug of FEATURE [default=no]
	--enable-ilp64 enable 64-bit indexing [default=yes]		--enable-ilp64 enable 64-bit indexing [default=yes]
	--enable-fortran enable legacy FORTRAN compilation [default=auto]		--enable-fortran enable legacy FORTRAN compilation [default=auto]
	--enable-offload enable target offloading (requires g++ version >=		--enable-offload enable target offloading (requires g++ version >=
	@@ -24936,6 +24939,25 @@ esac
	fi		fi

	# Configure the optional features		# Configure the optional features
			# Check whether --enable-debug was given.
			if test ${enable_debug+y}
			then :
			enableval=$enable_debug;
			if test "x$enableval" = "xAM"; then
			DEBUGFLAGS="-DDEBUG_AM"

			fi

			else case e in #(
			e)
			DEBUGFLAGS=""


			;;
			esac
			fi


	# Check whether --enable-ilp64 was given.		# Check whether --enable-ilp64 was given.
	if test ${enable_ilp64+y}		if test ${enable_ilp64+y}
	then :		then :
	@@ -25647,7 +25669,7 @@ else case e in #(
	;;		;;
	esac		esac
	fi		fi
	CXXFLAGS="$CLANGFLAGS $OPTFLAGS -ggdb $OFFLOADFLAGS $USER_INCLUDE -I$HDF5_INCLUDE $OMPFLAGS $MPIFLAGS $LAPACKFLAGS $MAGMAFLAGS $NVTXFLAGS"		CXXFLAGS="$CLANGFLAGS $OPTFLAGS -ggdb $DEBUGFLAGS $OFFLOADFLAGS $USER_INCLUDE -I$HDF5_INCLUDE $OMPFLAGS $MPIFLAGS $LAPACKFLAGS $MAGMAFLAGS $NVTXFLAGS"
	SUBDIRS="cluster libnptm sphere testing trapping"		SUBDIRS="cluster libnptm sphere testing trapping"

	# Generate the output		# Generate the output

build/configure.ac

+14 −1

Original line number	Original line	Diff line number	Diff line
	@@ -405,6 +405,19 @@ AS_IF(
	)		)

	# Configure the optional features		# Configure the optional features
			AC_ARG_ENABLE(
			[debug],
			[AS_HELP_STRING([--enable-debug=FEATURE], [enable debug of FEATURE [default=no]])],
			[
			if test "x$enableval" = "xAM"; then
			AC_SUBST([DEBUGFLAGS], ["-DDEBUG_AM"])
			fi
			],
			[
			AC_SUBST([DEBUGFLAGS], [""])
			]
			)

	AC_ARG_ENABLE(		AC_ARG_ENABLE(
	[ilp64],		[ilp64],
	[AS_HELP_STRING([--enable-ilp64], [enable 64-bit indexing [default=yes]])],		[AS_HELP_STRING([--enable-ilp64], [enable 64-bit indexing [default=yes]])],
	@@ -641,7 +654,7 @@ AS_IF(
	[AC_SUBST([OMPFLAGS], [""])],		[AC_SUBST([OMPFLAGS], [""])],
	[AC_SUBST([OMPFLAGS], [$OMPFLAGS])]		[AC_SUBST([OMPFLAGS], [$OMPFLAGS])]
	)		)
	CXXFLAGS="$CLANGFLAGS $OPTFLAGS -ggdb $OFFLOADFLAGS $USER_INCLUDE -I$HDF5_INCLUDE $OMPFLAGS $MPIFLAGS $LAPACKFLAGS $MAGMAFLAGS $NVTXFLAGS"		CXXFLAGS="$CLANGFLAGS $OPTFLAGS -ggdb $DEBUGFLAGS $OFFLOADFLAGS $USER_INCLUDE -I$HDF5_INCLUDE $OMPFLAGS $MPIFLAGS $LAPACKFLAGS $MAGMAFLAGS $NVTXFLAGS"
	SUBDIRS="cluster libnptm sphere testing trapping"		SUBDIRS="cluster libnptm sphere testing trapping"

	# Generate the output		# Generate the output

src/cluster/cluster.cpp

+50 −1

Original line number	Original line	Diff line number	Diff line
	@@ -83,6 +83,10 @@
	#include "../include/file_io.h"		#include "../include/file_io.h"
	#endif		#endif

			#ifndef INCLUDE_UTILS_H_
			#include "../include/utils.h"
			#endif

	using namespace std;		using namespace std;

	// I would like to put it all in a struct, but then I'd have to write a constructor for it, due to members defined as references, creating a worse nightmare than the one I'd like to simplify...		// I would like to put it all in a struct, but then I'd have to write a constructor for it, due to members defined as references, creating a worse nightmare than the one I'd like to simplify...
	@@ -370,7 +374,7 @@ void cluster(const string& config_file, const string& data_file, const string& o
	int myjxi488startoffset = 0;		int myjxi488startoffset = 0;
	int myMPIstride = ompnumthreads;		int myMPIstride = ompnumthreads;
	int myMPIblock = ompnumthreads;		int myMPIblock = ompnumthreads;
	// Define here shared arrays of virtual ascii and binary files, so that thread 0 will be able to access the all later		// Define here shared arrays of virtual ascii and binary files, so that thread 0 will be able to access them all later
	VirtualAsciiFile **p_outarray = NULL;		VirtualAsciiFile **p_outarray = NULL;
	VirtualBinaryFile **vtppoanarray = NULL;		VirtualBinaryFile **vtppoanarray = NULL;

	@@ -762,8 +766,31 @@ int cluster_jxi488_cycle(int jxi488, ScattererConfiguration *sconf, GeometryConf
	interval_start = chrono::high_resolution_clock::now();		interval_start = chrono::high_resolution_clock::now();
	#ifdef USE_NVTX		#ifdef USE_NVTX
	nvtxRangePush("Calculate inverted matrix");		nvtxRangePush("Calculate inverted matrix");
			#endif
			#ifdef DEBUG_AM
			/* now, before cms, output am to p_outam0 */
			VirtualAsciiFile *outam0 = new VirtualAsciiFile();
			string outam0_name = output_path + "/c_AM0_JXI" + to_string(jxi488) + ".txt";
			sprintf(virtual_line, " AM matrix before CMS\n");
			outam0->append_line(virtual_line);
			sprintf(virtual_line, " I1+1 I2+1 Real Imag\n");
			outam0->append_line(virtual_line);
			write_dcomplex_matrix(outam0, cid->am, ndit, ndit);
			outam0->write_to_disk(outam0_name);
			delete outam0;
	#endif		#endif
	cms(cid->am, cid->c1, cid->c1ao, cid->c4, cid->c6);		cms(cid->am, cid->c1, cid->c1ao, cid->c4, cid->c6);
			#ifdef DEBUG_AM
			VirtualAsciiFile *outam1 = new VirtualAsciiFile();
			string outam1_name = output_path + "/c_AM1_JXI" + to_string(jxi488) + ".txt";
			sprintf(virtual_line, " AM matrix after CMS before LUCIN\n");
			outam1->append_line(virtual_line);
			sprintf(virtual_line, " I1+1 I2+1 Real Imag\n");
			outam1->append_line(virtual_line);
			write_dcomplex_matrix(outam1, cid->am, ndit, ndit, " %5d %5d (%17.8lE,%17.8lE)\n", 1);
			outam1->write_to_disk(outam1_name);
			delete outam1;
			#endif
	#ifdef USE_NVTX		#ifdef USE_NVTX
	nvtxRangePop();		nvtxRangePop();
	#endif		#endif
	@@ -776,6 +803,17 @@ int cluster_jxi488_cycle(int jxi488, ScattererConfiguration *sconf, GeometryConf
	nvtxRangePush("Invert the matrix");		nvtxRangePush("Invert the matrix");
	#endif		#endif
	invert_matrix(cid->am, ndit, jer, mxndm, cid->proc_device);		invert_matrix(cid->am, ndit, jer, mxndm, cid->proc_device);
			#ifdef DEBUG_AM
			VirtualAsciiFile *outam2 = new VirtualAsciiFile();
			string outam2_name = output_path + "/c_AM2_JXI" + to_string(jxi488) + ".txt";
			sprintf(virtual_line, " AM matrix after LUCIN before ZTM\n");
			outam2->append_line(virtual_line);
			sprintf(virtual_line, " I1+1 I2+1 Real Imag\n");
			outam2->append_line(virtual_line);
			write_dcomplex_matrix(outam2, cid->am, ndit, ndit);
			outam2->write_to_disk(outam2_name);
			delete outam2;
			#endif
	#ifdef USE_NVTX		#ifdef USE_NVTX
	nvtxRangePop();		nvtxRangePop();
	#endif		#endif
	@@ -794,6 +832,17 @@ int cluster_jxi488_cycle(int jxi488, ScattererConfiguration *sconf, GeometryConf
	nvtxRangePush("Average calculation");		nvtxRangePush("Average calculation");
	#endif		#endif
	ztm(cid->am, cid->c1, cid->c1ao, cid->c4, cid->c6, cid->c9);		ztm(cid->am, cid->c1, cid->c1ao, cid->c4, cid->c6, cid->c9);
			#ifdef DEBUG_AM
			VirtualAsciiFile *outam3 = new VirtualAsciiFile();
			string outam3_name = output_path + "/c_AM3_JXI" + to_string(jxi488) + ".txt";
			sprintf(virtual_line, " AM matrix after ZTM\n");
			outam3->append_line(virtual_line);
			sprintf(virtual_line, " I1+1 I2+1 Real Imag\n");
			outam3->append_line(virtual_line);
			write_dcomplex_matrix(outam3, cid->am, ndit, ndit);
			outam3->write_to_disk(outam3_name);
			delete outam3;
			#endif
	if (idfc >= 0) {		if (idfc >= 0) {
	if (jxi488 == jwtm) {		if (jxi488 == jwtm) {
	int nlemt = 2 * cid->c4->nlem;		int nlemt = 2 * cid->c4->nlem;

Original line number	Original line	Diff line number	Diff line
	@@ -156,8 +156,9 @@ am_libnptm_libnptm_la_OBJECTS = ../src/libnptm/algebraic.lo \
	../src/libnptm/Configuration.lo ../src/libnptm/file_io.lo \		../src/libnptm/Configuration.lo ../src/libnptm/file_io.lo \
	../src/libnptm/lapack_calls.lo ../src/libnptm/logging.lo \		../src/libnptm/lapack_calls.lo ../src/libnptm/logging.lo \
	../src/libnptm/magma_calls.lo ../src/libnptm/Parsers.lo \		../src/libnptm/magma_calls.lo ../src/libnptm/Parsers.lo \
	../src/libnptm/sph_subs.lo ../src/libnptm/tfrfme.lo \		../src/libnptm/sph_subs.lo ../src/libnptm/utils.lo \
	../src/libnptm/TransitionMatrix.lo ../src/libnptm/tra_subs.lo		../src/libnptm/tfrfme.lo ../src/libnptm/TransitionMatrix.lo \
			../src/libnptm/tra_subs.lo
	libnptm_libnptm_la_OBJECTS = $(am_libnptm_libnptm_la_OBJECTS)		libnptm_libnptm_la_OBJECTS = $(am_libnptm_libnptm_la_OBJECTS)
	AM_V_lt = $(am__v_lt_@AM_V@)		AM_V_lt = $(am__v_lt_@AM_V@)
	am__v_lt_ = $(am__v_lt_@AM_DEFAULT_V@)		am__v_lt_ = $(am__v_lt_@AM_DEFAULT_V@)
	@@ -304,6 +305,7 @@ am__depfiles_remade = ../src/cluster/$(DEPDIR)/cluster.Po \
	../src/libnptm/$(DEPDIR)/sph_subs.Plo \		../src/libnptm/$(DEPDIR)/sph_subs.Plo \
	../src/libnptm/$(DEPDIR)/tfrfme.Plo \		../src/libnptm/$(DEPDIR)/tfrfme.Plo \
	../src/libnptm/$(DEPDIR)/tra_subs.Plo \		../src/libnptm/$(DEPDIR)/tra_subs.Plo \
			../src/libnptm/$(DEPDIR)/utils.Plo \
	../src/sphere/$(DEPDIR)/np_sphere.Po \		../src/sphere/$(DEPDIR)/np_sphere.Po \
	../src/sphere/$(DEPDIR)/sphere.Po \		../src/sphere/$(DEPDIR)/sphere.Po \
	../src/testing/$(DEPDIR)/test_TEDF.Po \		../src/testing/$(DEPDIR)/test_TEDF.Po \
	@@ -454,6 +456,7 @@ CXXCPP = @CXXCPP@
	CXXDEPMODE = @CXXDEPMODE@		CXXDEPMODE = @CXXDEPMODE@
	CXXFLAGS = @CXXFLAGS@		CXXFLAGS = @CXXFLAGS@
	CYGPATH_W = @CYGPATH_W@		CYGPATH_W = @CYGPATH_W@
			DEBUGFLAGS = @DEBUGFLAGS@
	DEFS = @DEFS@		DEFS = @DEFS@
	DEPDIR = @DEPDIR@		DEPDIR = @DEPDIR@
	DLLTOOL = @DLLTOOL@		DLLTOOL = @DLLTOOL@
	@@ -577,7 +580,7 @@ top_builddir = @top_builddir@
	top_srcdir = @top_srcdir@		top_srcdir = @top_srcdir@
	LDADD = libnptm/libnptm.la -L/usr/lib64 ${USER_LDFLAGS} ${HDF5_LDFLAGS} ${LAPACKLDFLAGS} ${MAGMALDFLAGS}		LDADD = libnptm/libnptm.la -L/usr/lib64 ${USER_LDFLAGS} ${HDF5_LDFLAGS} ${LAPACKLDFLAGS} ${MAGMALDFLAGS}
	lib_LTLIBRARIES = libnptm/libnptm.la		lib_LTLIBRARIES = libnptm/libnptm.la
	libnptm_libnptm_la_SOURCES = ../src/libnptm/algebraic.cpp ../src/libnptm/clu_subs.cpp ../src/libnptm/Commons.cpp ../src/libnptm/Configuration.cpp ../src/libnptm/file_io.cpp ../src/libnptm/lapack_calls.cpp ../src/libnptm/logging.cpp ../src/libnptm/magma_calls.cpp ../src/libnptm/Parsers.cpp ../src/libnptm/sph_subs.cpp ../src/libnptm/tfrfme.cpp ../src/libnptm/TransitionMatrix.cpp ../src/libnptm/tra_subs.cpp		libnptm_libnptm_la_SOURCES = ../src/libnptm/algebraic.cpp ../src/libnptm/clu_subs.cpp ../src/libnptm/Commons.cpp ../src/libnptm/Configuration.cpp ../src/libnptm/file_io.cpp ../src/libnptm/lapack_calls.cpp ../src/libnptm/logging.cpp ../src/libnptm/magma_calls.cpp ../src/libnptm/Parsers.cpp ../src/libnptm/sph_subs.cpp ../src/libnptm/utils.cpp ../src/libnptm/tfrfme.cpp ../src/libnptm/TransitionMatrix.cpp ../src/libnptm/tra_subs.cpp
	@BUILDFORTRAN_FALSE@PROGS = cluster/np_cluster sphere/np_sphere trapping/np_trapping testing/test_TEDF testing/test_TTMS		@BUILDFORTRAN_FALSE@PROGS = cluster/np_cluster sphere/np_sphere trapping/np_trapping testing/test_TEDF testing/test_TTMS
	@BUILDFORTRAN_TRUE@PROGS = cluster/edfb_clu cluster/clu cluster/np_cluster sphere/edfb_sph sphere/sph sphere/np_sphere trapping/frfme trapping/lffft trapping/np_trapping testing/test_TEDF testing/test_TTMS		@BUILDFORTRAN_TRUE@PROGS = cluster/edfb_clu cluster/clu cluster/np_cluster sphere/edfb_sph sphere/sph sphere/np_sphere trapping/frfme trapping/lffft trapping/np_trapping testing/test_TEDF testing/test_TTMS
	@BUILDFORTRAN_TRUE@EDFBCLUSOURCES = ../src/cluster/edfb_clu.f		@BUILDFORTRAN_TRUE@EDFBCLUSOURCES = ../src/cluster/edfb_clu.f
	@@ -749,6 +752,8 @@ clean-libLTLIBRARIES:
	../src/libnptm/$(DEPDIR)/$(am__dirstamp)		../src/libnptm/$(DEPDIR)/$(am__dirstamp)
	../src/libnptm/sph_subs.lo: ../src/libnptm/$(am__dirstamp) \		../src/libnptm/sph_subs.lo: ../src/libnptm/$(am__dirstamp) \
	../src/libnptm/$(DEPDIR)/$(am__dirstamp)		../src/libnptm/$(DEPDIR)/$(am__dirstamp)
			../src/libnptm/utils.lo: ../src/libnptm/$(am__dirstamp) \
			../src/libnptm/$(DEPDIR)/$(am__dirstamp)