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dmrgpp's Issues

[6.06] bunch of warnings with boost 1.81

Hello, while preparing the switch to boost 1.81 I got these warning about deprecated headers.

g++ -frecord-gcc-switches -Wdate-time -D_FORTIFY_SOURCE=2 -pedantic -std=c++11 -Wall -Wendif-labels -I/usr/include/hdf5/serial -DUSE_BOOST -DNDEBUG -O3 -DUSE_PTHREADS -g -c ../src/Ainur/AinurSpirit.cpp
In file included from /usr/include/boost/config/header_deprecated.hpp:18,
                 from /usr/include/boost/spirit/include/phoenix_core.hpp:11,
                 from ../src/Ainur/AinurSpirit1.cpp:7,
                 from ../src/Ainur/AinurSpirit.cpp:2:
/usr/include/boost/spirit/include/phoenix_core.hpp:12:1: note: ‘#pragma message: This header is deprecated. Use <boost/phoenix/core.hpp> instead.’
   12 | BOOST_HEADER_DEPRECATED("<boost/phoenix/core.hpp>")
      | ^~~~~~~~~~~~~~~~~~~~~~~
/usr/include/boost/spirit/include/phoenix_operator.hpp:12:1: note: ‘#pragma message: This header is deprecated. Use <boost/phoenix/operator.hpp> instead.’
   12 | BOOST_HEADER_DEPRECATED("<boost/phoenix/operator.hpp>")
      | ^~~~~~~~~~~~~~~~~~~~~~~
g++ -frecord-gcc-switches -Wdate-time -D_FORTIFY_SOURCE=2 -pedantic -std=c++11 -Wall -Wendif-labels -I/usr/include/hdf5/serial -DUSE_BOOST -DNDEBUG -O3 -DUSE_PTHREADS -c ../src/Ainur/AinurConvert.cpp
In file included from /usr/include/boost/config/header_deprecated.hpp:18,
                 from /usr/include/boost/spirit/include/phoenix_core.hpp:11,
                 from ../src/Ainur/AinurConvert1.cpp:5,
                 from ../src/Ainur/AinurConvert.cpp:2:
/usr/include/boost/spirit/include/phoenix_core.hpp:12:1: note: ‘#pragma message: This header is deprecated. Use <boost/phoenix/core.hpp> instead.’
   12 | BOOST_HEADER_DEPRECATED("<boost/phoenix/core.hpp>")
      | ^~~~~~~~~~~~~~~~~~~~~~~
/usr/include/boost/spirit/include/phoenix_operator.hpp:12:1: note: ‘#pragma message: This header is deprecated. Use <boost/phoenix/operator.hpp> instead.’
   12 | BOOST_HEADER_DEPRECATED("<boost/phoenix/operator.hpp>")
      | ^~~~~~~~~~~~~~~~~~~~~~~
ar rcs libpsimaglite.a MersenneTwister.o Matrix.o Mpi.o Concurrency.o ProgressIndicator.o MemResolv.o PsimagLite.o PsiBase64.o SpecialFunctions.o TypeToH5.o TridiagonalMatrix.o PredicateSimple.o  AinurSpirit.o AinurConvert.o
make[2]: Leaving directory '/<<PKGBUILDDIR>>/psimaglite/lib'
/usr/bin/make -C src
make[2]: Entering directory '/<<PKGBUILDDIR>>/src'

Have a nice day.

Frederic

clean and test let a few remaining files in the source directory

In order to produce a clean build of dmrgpp I need to clean the source like this

override_dh_auto_clean:
	[ -f psimaglite/lib/Makefile ] && $(MAKE) -C psimaglite/lib/ clean || true
	[ -f src/Makefile ] && $(MAKE) -C src clean || true
	$(RM) src/KronUtil/libkronutil.a src/libdmrgpp.a src/operator
	$(RM) psimaglite/lib/Makefile src/GitRevision.h
	$(RM) src/KronUtil/Makefile src/Makefile
	$(RM) -f src/KronUtil/test1 src/KronUtil/test2

So it seems that a bunch of generated files remain after a clean.

the psimaglite directory is the embeded version in the Debian package of dmrgpp
tests also generate a bunch of binaries which should be removed after a clean :).

Cheers

6.04 does not build

Hello, is it possible to tag a new version with a working build

the current 6.0.4 failed with

make[2]: Entering directory '/<<PKGBUILDDIR>>/src'
g++ -frecord-gcc-switches -Wdate-time -D_FORTIFY_SOURCE=2 -pedantic -std=c++11 -Wall -Wendif-labels -I/usr/include/hdf5/serial -DUSE_BOOST -DUSE_PTHREADS -O3 -DNDEBUG -I ../psimaglite/ -I ../psimaglite/src/ -I. -I Engine -MM Provenance.cpp Su2Related.cpp ProgramGlobals.cpp Utils.cpp Qn.cpp observe.cpp toolboxdmrg.cpp ObserveDriver0.cpp ObserveDriver1.cpp ObserveDriver2.cpp manyOmegas.cpp procOmegas.cpp DmrgDriver0.cpp DmrgDriver1.cpp DmrgDriver2.cpp DmrgDriver3.cpp DmrgDriver4.cpp DmrgDriver5.cpp DmrgDriver6.cpp DmrgDriver7.cpp DmrgDriver8.cpp DmrgDriver9.cpp DmrgDriver10.cpp DmrgDriver11.cpp dmrg.cpp   > Makefile.dep
./createGitRevision.pl GitRevision.h
g++ -frecord-gcc-switches -Wdate-time -D_FORTIFY_SOURCE=2 -pedantic -std=c++11 -Wall -Wendif-labels -I/usr/include/hdf5/serial -DUSE_BOOST -DUSE_PTHREADS -O3 -DNDEBUG -I ../psimaglite/ -I ../psimaglite/src/ -I. -I Engine -c observe.cpp
In file included from Engine/TermForTargetingExpression.h:6,
                 from Engine/AlgebraForTargetingExpression.h:6,
                 from Engine/SpecForTargetingExpression.h:10,
                 from Engine/TargetingExpression.h:85,
                 from Engine/TargetSelector.h:14,
                 from Engine/DmrgSolver.h:91,
                 from ObserveDriver.h:15,
                 from observe.cpp:1:
Engine/NonLocalForTargetingExpression.h: In member function ‘bool Dmrg::NonLocalForTargetingExpression<TargetingBaseType>::timeEvolve(PsimagLite::String, const SiteSplitType&, PsimagLite::String, SizeType)’:
Engine/NonLocalForTargetingExpression.h:91:25: error: ‘HamiltoriModifierType’ was not declared in this scope
   91 |                         HamiltoriModifierType hamModif = nullptr;
      |                         ^~~~~~~~~~~~~~~~~~~~~
Engine/NonLocalForTargetingExpression.h:93:33: error: ‘hamModif’ was not declared in this scope
   93 |                                 hamModif = new HamiltoriModifierType(lrs, );
      |                                 ^~~~~~~~
Engine/NonLocalForTargetingExpression.h:93:48: error: expected type-specifier before ‘HamiltoriModifierType’
   93 |                                 hamModif = new HamiltoriModifierType(lrs, );
      |                                                ^~~~~~~~~~~~~~~~~~~~~
Engine/NonLocalForTargetingExpression.h:102:69: error: ‘hamModif’ was not declared in this scope
  102 |                                                                     hamModif);
      |                                                                     ^~~~~~~~

Installation error

Hi,

I'm trying to install dmrgpp on ubuntu following the tutorial.
In the final step of make in the dmrgpp/src folder, there are errors related to 'KronUtil/libkronutil.a':

> g++ -frecord-gcc-switches -pedantic -std=c++11 -Wall -Wendif-labels -I/usr/include/hdf5/serial -DUSE_BOOST -DUSE_PTHREADS -O3 -DNDEBUG -I ../../PsimagLite -I ../../PsimagLite/src -I Engine  -c manyOmegas.cpp
> ar rcs libdmrgpp.a Provenance.o ProgramGlobals.o Qn.o Utils.o
> make: *** No rule to make target 'KronUtil/libkronutil.a', needed by 'manyOmegas'.  Stop.

What might be the problems?

Wishes
Shang

./toolboxdmrg -f input.inp -a analysis

Write "expert"-like system that takes a DMRG++ input.inp
and guesstimates the needed "m", the wall-time, the RAM usage, etc.
Work has already started.
./toolboxdmrg -f input.inp -a analysis
Internal number is 34.

howto run the test suite ?

Hello, I try to run the test suite but I got this error message

make[1]: Entering directory '/<<PKGBUILDDIR>>'
cd TestSuite && ./testsuite.pl -a
No such file or directory at ../psimaglite/TestSuite/TestSuiteGlobals.pm line 249.

When I am looking at the 249 line I find this

#Runs a single test
sub testSuite
{
	my ($testNum)=@_;
	#$tempNum -= 100 if($testNum >= 100);
	my $procFile = $TestSuiteGlobals::inputsDir."processing$testNum.txt";
	my $procLib = $TestSuiteGlobals::inputsDir."processingLibrary.txt";
	
	if(-r $procLib) {
		if(-r "$procFile") {
			print "*******START OF TEST $testNum*******\n";
			$TestSuiteGlobals::specFile = getSpecFile($procFile);
			my @analyses = extractAnalyses($procFile) ;
			(@analyses) ? (processing(@analyses, $procLib)) : (print "Test $testNum does not includes any processing analyses.\n");
			print "*******END OF TEST ".$testNum."*******\n";
		} else {
			die "Could not find $procFile: $!";
		}
	} else {
		die "$!";
	}
}

So it expect the processingLibrary.txt in the inputs directory.

But I can not find this file in the inputs directory.

What is wrong here ?

thanks

Multi-orbital Hubbard

./operator for two orbitals.
Sz for orbital a and orbital b are same.
The Sz matrix is probably sum of a and b.

-flto with clang++

-flto with clang++ not just with gcc (investigate). Internal number is 33.

ParametersForSolver cannot be read from input file

ParametersForSolver is a class in PsimagLite/src that contains the parameters for the Lanczos- Davidson- and Chebyshev solvers. It is currently not possible to read ParametersForSolver parameters from DMRG++'s input file.

observe code segfaults if sweeps that save do not end at corner

This should not be a problem because all previous data must have already being processed and printed by observe.
Some have noticed, however, that because the printing is probably buffered, sometimes the segfault precludes the printing from happening at all, particularly when running observe in a batch job.
WORKAROUND: Have the sweeps that save() to disk end at one of the corners.
(
) Sweeps that save are those that have the first bit of the 3rd number of the finite loop triplet set.

Compilation instructions for CUDA version

A CUDA-enabled plugin to this code uses MAGMA to accelerate calculations using GPUs. Documentation should be created to explain how to compile and benchmark this version.

full checkpointing needed

Right now, a run can be restarted only if it finished normally, not if it was stopped suddenly.
We need full checkpointing meaning to be able to checkpoint at the end of every finite loop movement.
Issue #11 is related.
Tests 201 to 250 have been reserved for this issue.

manual.tex is not generated

The manual.tex file is not generated in the installation. When manually running the following command as in the MakeFile:

'find ../src -iname ".h" -or -iname ".cpp" | ../../PsimagLite/scripts/doc.pl manual.ptex'

There is an error message:

'../../PsimagLite/scripts/doc.pl: ERROR: Label DmrgDriver is duplicate'

What might be the problem?

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