Update script_devel to fixed order 4 (c7f8c30d) · Commits · Giacomo Mulas / NP_TMcode

build/Makefile.am

+1 −1

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

build/Makefile.in

+11 −3

Original line number	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/lapack_calls.lo ../src/libnptm/logging.lo \
		../src/libnptm/magma_calls.lo ../src/libnptm/Parsers.lo \
		../src/libnptm/sph_subs.lo ../src/libnptm/tfrfme.lo \
		../src/libnptm/TransitionMatrix.lo ../src/libnptm/tra_subs.lo
		../src/libnptm/sph_subs.lo ../src/libnptm/utils.lo \
		../src/libnptm/tfrfme.lo ../src/libnptm/TransitionMatrix.lo \
		../src/libnptm/tra_subs.lo
		libnptm_libnptm_la_OBJECTS = $(am_libnptm_libnptm_la_OBJECTS)
		AM_V_lt = $(am__v_lt_@AM_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)/tfrfme.Plo \
		../src/libnptm/$(DEPDIR)/tra_subs.Plo \
		../src/libnptm/$(DEPDIR)/utils.Plo \
		../src/sphere/$(DEPDIR)/np_sphere.Po \
		../src/sphere/$(DEPDIR)/sphere.Po \
		../src/testing/$(DEPDIR)/test_TEDF.Po \
		@@ -454,6 +456,7 @@ CXXCPP = @CXXCPP@
		CXXDEPMODE = @CXXDEPMODE@
		CXXFLAGS = @CXXFLAGS@
		CYGPATH_W = @CYGPATH_W@
		DEBUGFLAGS = @DEBUGFLAGS@
		DEFS = @DEFS@
		DEPDIR = @DEPDIR@
		DLLTOOL = @DLLTOOL@
		@@ -577,7 +580,7 @@ top_builddir = @top_builddir@
		top_srcdir = @top_srcdir@
		LDADD = libnptm/libnptm.la -L/usr/lib64 ${USER_LDFLAGS} ${HDF5_LDFLAGS} ${LAPACKLDFLAGS} ${MAGMALDFLAGS}
		lib_LTLIBRARIES = libnptm/libnptm.la
		libnptm_libnptm_la_SOURCES = ../src/libnptm/algebraic.cpp ../src/libnptm/clu_subs.cpp ../src/libnptm/Commons.cpp ../src/libnptm/Configuration.cpp ../src/libnptm/file_io.cpp ../src/libnptm/lapack_calls.cpp ../src/libnptm/logging.cpp ../src/libnptm/magma_calls.cpp ../src/libnptm/Parsers.cpp ../src/libnptm/sph_subs.cpp ../src/libnptm/tfrfme.cpp ../src/libnptm/TransitionMatrix.cpp ../src/libnptm/tra_subs.cpp
		libnptm_libnptm_la_SOURCES = ../src/libnptm/algebraic.cpp ../src/libnptm/clu_subs.cpp ../src/libnptm/Commons.cpp ../src/libnptm/Configuration.cpp ../src/libnptm/file_io.cpp ../src/libnptm/lapack_calls.cpp ../src/libnptm/logging.cpp ../src/libnptm/magma_calls.cpp ../src/libnptm/Parsers.cpp ../src/libnptm/sph_subs.cpp ../src/libnptm/utils.cpp ../src/libnptm/tfrfme.cpp ../src/libnptm/TransitionMatrix.cpp ../src/libnptm/tra_subs.cpp
		@BUILDFORTRAN_FALSE@PROGS = cluster/np_cluster sphere/np_sphere trapping/np_trapping testing/test_TEDF testing/test_TTMS
		@BUILDFORTRAN_TRUE@PROGS = cluster/edfb_clu cluster/clu cluster/np_cluster sphere/edfb_sph sphere/sph sphere/np_sphere trapping/frfme trapping/lffft trapping/np_trapping testing/test_TEDF testing/test_TTMS
		@BUILDFORTRAN_TRUE@EDFBCLUSOURCES = ../src/cluster/edfb_clu.f
		@@ -749,6 +752,8 @@ clean-libLTLIBRARIES:
		../src/libnptm/$(DEPDIR)/$(am__dirstamp)
		../src/libnptm/sph_subs.lo: ../src/libnptm/$(am__dirstamp) \
		../src/libnptm/$(DEPDIR)/$(am__dirstamp)
		../src/libnptm/utils.lo: ../src/libnptm/$(am__dirstamp) \
		../src/libnptm/$(DEPDIR)/$(am__dirstamp)
		../src/libnptm/tfrfme.lo: ../src/libnptm/$(am__dirstamp) \
		../src/libnptm/$(DEPDIR)/$(am__dirstamp)
		../src/libnptm/TransitionMatrix.lo: ../src/libnptm/$(am__dirstamp) \
		@@ -900,6 +905,7 @@ distclean-compile:
		@AMDEP_TRUE@@am__include@ @am__quote@../src/libnptm/$(DEPDIR)/sph_subs.Plo@am__quote@ # am--include-marker
		@AMDEP_TRUE@@am__include@ @am__quote@../src/libnptm/$(DEPDIR)/tfrfme.Plo@am__quote@ # am--include-marker
		@AMDEP_TRUE@@am__include@ @am__quote@../src/libnptm/$(DEPDIR)/tra_subs.Plo@am__quote@ # am--include-marker
		@AMDEP_TRUE@@am__include@ @am__quote@../src/libnptm/$(DEPDIR)/utils.Plo@am__quote@ # am--include-marker
		@AMDEP_TRUE@@am__include@ @am__quote@../src/sphere/$(DEPDIR)/np_sphere.Po@am__quote@ # am--include-marker
		@AMDEP_TRUE@@am__include@ @am__quote@../src/sphere/$(DEPDIR)/sphere.Po@am__quote@ # am--include-marker
		@AMDEP_TRUE@@am__include@ @am__quote@../src/testing/$(DEPDIR)/test_TEDF.Po@am__quote@ # am--include-marker
		@@ -1268,6 +1274,7 @@ distclean: distclean-am
		-rm -f ../src/libnptm/$(DEPDIR)/sph_subs.Plo
		-rm -f ../src/libnptm/$(DEPDIR)/tfrfme.Plo
		-rm -f ../src/libnptm/$(DEPDIR)/tra_subs.Plo
		-rm -f ../src/libnptm/$(DEPDIR)/utils.Plo
		-rm -f ../src/sphere/$(DEPDIR)/np_sphere.Po
		-rm -f ../src/sphere/$(DEPDIR)/sphere.Po
		-rm -f ../src/testing/$(DEPDIR)/test_TEDF.Po
		@@ -1337,6 +1344,7 @@ maintainer-clean: maintainer-clean-am
		-rm -f ../src/libnptm/$(DEPDIR)/sph_subs.Plo
		-rm -f ../src/libnptm/$(DEPDIR)/tfrfme.Plo
		-rm -f ../src/libnptm/$(DEPDIR)/tra_subs.Plo
		-rm -f ../src/libnptm/$(DEPDIR)/utils.Plo
		-rm -f ../src/sphere/$(DEPDIR)/np_sphere.Po
		-rm -f ../src/sphere/$(DEPDIR)/sphere.Po
		-rm -f ../src/testing/$(DEPDIR)/test_TEDF.Po

build/configure

+23 −1

Original line number	Diff line number	Diff line
		@@ -669,6 +669,7 @@ OFFLOADFLAGS
		BUILDFORTRAN_FALSE
		BUILDFORTRAN_TRUE
		ENABLE_ILP64
		DEBUGFLAGS
		HDF5_LDFLAGS
		CXXCPP
		LT_SYS_LIBRARY_PATH
		@@ -813,6 +814,7 @@ with_aix_soname
		with_gnu_ld
		with_sysroot
		enable_libtool_lock
		enable_debug
		enable_ilp64
		enable_fortran
		enable_offload
		@@ -1479,6 +1481,7 @@ Optional Features:
		--enable-fast-install[=PKGS]
		optimize for fast installation [default=yes]
		--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-fortran enable legacy FORTRAN compilation [default=auto]
		--enable-offload enable target offloading (requires g++ version >=
		@@ -24936,6 +24939,25 @@ esac
		fi

		# 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.
		if test ${enable_ilp64+y}
		then :
		@@ -25647,7 +25669,7 @@ else case e in #(
		;;
		esac
		fi
		CXXFLAGS="$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"

		# Generate the output

build/configure.ac

+14 −1

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

		# 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(
		[ilp64],
		[AS_HELP_STRING([--enable-ilp64], [enable 64-bit indexing [default=yes]])],
		@@ -641,7 +654,7 @@ AS_IF(
		[AC_SUBST([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"

		# Generate the output

src/cluster/cluster.cpp

+50 −1

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

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

		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...
		@@ -370,7 +374,7 @@ void cluster(const string& config_file, const string& data_file, const string& o
		int myjxi488startoffset = 0;
		int myMPIstride = 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;
		VirtualBinaryFile **vtppoanarray = NULL;

		@@ -762,8 +766,31 @@ int cluster_jxi488_cycle(int jxi488, ScattererConfiguration *sconf, GeometryConf
		interval_start = chrono::high_resolution_clock::now();
		#ifdef USE_NVTX
		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
		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
		nvtxRangePop();
		#endif
		@@ -776,6 +803,17 @@ int cluster_jxi488_cycle(int jxi488, ScattererConfiguration *sconf, GeometryConf
		nvtxRangePush("Invert the matrix");
		#endif
		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
		nvtxRangePop();
		#endif
		@@ -794,6 +832,17 @@ int cluster_jxi488_cycle(int jxi488, ScattererConfiguration *sconf, GeometryConf
		nvtxRangePush("Average calculation");
		#endif
		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 (jxi488 == jwtm) {
		int nlemt = 2 * cid->c4->nlem;