November 2008 - Comp-phys-alps-users

Re: [ALPS-users] Comp-phys-alps-users Digest, Vol 32, Issue 6
by Akinlolu Akande 28 Nov '08

28 Nov '08

Hi ADRIAN, Thanks for your response.I did what you suggested but got the below errors.I changed the doubles in the dmrg.h file to complex doubles too.The last change I made was to leave the complex doubles in lines 431 and 472 unchanged in the dmrg.C. Any suggestions? Thanks. Akin g++ -DHAVE_CONFIG_H -I. -I. -I../.. -DNDEBUG -I/home/aakande/ALPS/alps-1.3.3/include -I/home/aakande/boost_1_35_0 -I/usr/local/mpich_quad-gcc/include -I/usr/local/mpich_quad-gcc/include/mpi2c++ -I/home/aakande/ALPS/alps-1.3.3/include -I/home/aakande/lp_solve_4.0 -pthread -ftemplate-depth-150 -O3 -DBOOST_DISABLE_ASSERTS -fexceptions -w -MT dmrg.o -MD -MP -MF .deps/dmrg.Tpo -c -o dmrg.o dmrg.C dmrg.C: In member function 'void DMRGTask::init()': dmrg.C:114: error: no match for 'operator=' in '((DMRGTask*)this)->DMRGTask::conserved_quantumnumber_value.std::vector<_Tp, _Alloc>::operator[] [with _Tp = alps::half_integer<short int>, _Alloc = std::allocator<alps::half_integer<short int> >](((long unsigned int)i)) = alps::evaluate [with U = std::complex<double>](((const std::basic_string<char, std::char_traits<char>, std::allocator<char> >&)((const std::basic_string<char, std::char_traits<char>, std::allocator<char> >*)(& std::basic_string<char, std::char_traits<char>, std::allocator<char> >(((const std::basic_string<char, std::char_traits<char>, std::allocator<char> >&)((const std::basic_string<char, std::char_traits<char>, std::allocator<char> >*)(&((alps::StringValue*)((DMRGTask*)this)->DMRGTask::<anonymous>.alps::scheduler::Task::parms.alps::Parameters::operator[](((const std::string&)((const std::string*)(& std::operator+(const std::basic_string<_CharT, _Traits, _Alloc>&, const _CharT*) [with _CharT = char, _Traits = std::char_traits<char>, _Alloc = std::allocator<char>](((const char*)"_total")))))))->alps::lexical_cast_string<std::basic_string<char, std::char_traits<char>, std::allocator<char> > >::<anonymous>))))))), ((const alps::Parameters&)((const alps::Parameters*)(&((DMRGTask*)this)->DMRGTask::<anonymous>.alps::scheduler::Task::parms))))' /home/aakande/ALPS/alps-1.3.3/include/alps/model/half_integer.h:53: note: candidates are: alps::half_integer<short int>& alps::half_integer<short int>::operator=(const alps::half_integer<short int>&) dmrg.C: In member function 'dmtk::BasicOp<std::complex<double> > DMRGTask::create_site_operator(const std::string&, const alps::SiteOperator&, int)': dmrg.C:403: error: no matching function for call to 'fabs(std::complex<double>&)' /usr/include/bits/mathcalls.h:182: note: candidates are: double fabs(double) /usr/lib/gcc/x86_64-redhat-linux/4.1.2/../../../../include/c++/4.1.2/cmath:230: note: long double std::fabs(long double) /usr/lib/gcc/x86_64-redhat-linux/4.1.2/../../../../include/c++/4.1.2/cmath:226: note: float std::fabs(float) dmrg.C: In member function 'void DMRGTask::build_bond_operator(const alps::BondOperator&, const boost::detail::edge_desc_impl<boost::undirected_tag, long unsigned int>&, dmtk::Hami<std::complex<double> >&)': dmrg.C:472: error: template argument 1 is invalid dmrg.C:472: error: expected unqualified-id before '>' token dmrg.C:487: error: 'coords' was not declared in this scope make: *** [dmrg.o] Error 1 > > > As far as I know the DMRG code does not support complex Hamiltonians, > > but you should ask Adrian. > > > > Matthias > > Look at dmrg.C, replace all the "<double>" by "<complex<double> >", and > recompile. This should do the trick for you. > > Let me know how it works for you. > > Saludos, > <ADRIAN> > > >

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Re: [ALPS-users] complex hopping and site dependent parameters
by Akinlolu Akande 26 Nov '08

26 Nov '08

Thanks Prof. Mattias, Yes I mean hopping t in one direction and the complex conjugate in the other.It actually worked pretty well for the half filled case (Maybe for the wrong reason or it's just by coincidence) at least with my comparison with BA solutions.Other fillings are screwed up. Thanks once again. Adrian, would u like to comment on DMRG for complex Hamiltonian?Thanks Akin >* *>* 1.For a 1D Hubbard model with a complex 't' (hopping) parameter, is *>* it ok to make t complex in the input file?I actually did a run where *>* I used the following input file for the full diagonalization: *>* *>* LATTICE="open chain lattice"; *>* LATTICE_LIBRARY="/home/aakande/alps-applications-1.3.3/tutorial/ *>* lattices.xml" *>* SWEEPS=5 *>* MAXSTATES=30 *>* CONSERVED_QUANTUMNUMBERS="Nup,Ndown" *>* { *>* MODEL="fermion Hubbard"; *>* MODEL_LIBRARY="/home/aakande/alps-applications-1.3.3/tutorial/ *>* models.xml" *>* L=4, Nup_total=1, Ndown_total=1 *>* t=exp(I*5) *>* U=4 *>* NUMBER_EIGENVALUES=1 *>* } * This will actually not work since if all hoppings are t the model is not Hermitian. Do you mean a model with hopping t in one direction and the complex conjugate in the other? Yes.It actually worked pretty well for a half filled case (Maybe for a wrong reason or it's by coincidence). >* 2.How does one adjust the input file for a site dependent parameters *>* model?For example, I am interested in a 1D Hubbard model with 10- *>* site chain for which the U term on the first 5 sites are different *>* from the remaining 5 sites (ie 1st 5 sites have U=U1 and the last 5 *>* sites have U=U2) with a different hopping parameter linking the 2 *>* sets of sites.What will change in the input file for such a site *>* dependent model? * You have to build a graph and not a lattice, and give different types to the various sites (vertices) and bonds (edges). You can then specify different t for the bonds and U for the sites. Matthias

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complex hopping and site dependent parameters
by Akinlolu Akande 26 Nov '08

26 Nov '08

Hi all, I am a new user of the ALPS package.I successfully installed the package on our machines and I have run some examples in the tutorial directory. I have 2 questions: 1.For a 1D Hubbard model with a complex 't' (hopping) parameter, is it ok to make t complex in the input file?I actually did a run where I used the following input file for the full diagonalization: LATTICE="open chain lattice"; LATTICE_LIBRARY="/home/aakande/alps-applications-1.3.3/tutorial/lattices.xml" SWEEPS=5 MAXSTATES=30 CONSERVED_QUANTUMNUMBERS="Nup,Ndown" { MODEL="fermion Hubbard"; MODEL_LIBRARY="/home/aakande/alps-applications-1.3.3/tutorial/models.xml" L=4, Nup_total=1, Ndown_total=1 t=exp(I*5) U=4 NUMBER_EIGENVALUES=1 } which actually gave some results but I just want to confirm if the results obtained with such input are ok. 2.How does one adjust the input file for a site dependent parameters model?For example, I am interested in a 1D Hubbard model with 10-site chain for which the U term on the first 5 sites are different from the remaining 5 sites (ie 1st 5 sites have U=U1 and the last 5 sites have U=U2) with a different hopping parameter linking the 2 sets of sites.What will change in the input file for such a site dependent model? Best regards. Akin

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extract mean values from DMRG
by João Manuel Viana Parente Lopes 25 Nov '08

25 Nov '08

Hi, The problem is that the standard scripts like extracttext or extractxmgr doesn't recognize the format of the dmrg output (at least in the version that I'm running). For example if I run a small dmrg simulation and I pretend to extract the energy value from the param.ask1.out.xml... This file looks like: <EIGENSTATES number="2"> <EIGENSTATE number="0"> <SCALAR_AVERAGE name="Energy"><MEAN>-8.90438652987646</MEAN></ SCALAR_AVERAGE> <SCALAR_AVERAGE name="Truncation error"><MEAN>1.127923664741207e-13</MEAN></SCALAR_AVERAGE> </EIGENSTATE> <EIGENSTATE number="1"> <SCALAR_AVERAGE name="Energy"><MEAN>-8.686440986186689</MEAN></ SCALAR_AVERAGE> </EIGENSTATE> </EIGENSTATES> As Mathias says there are the different averages associated with each eigenstate... If I use the standard plot.xml file I could not extract the energy from the <EIGENSTATES> block ... The question is: Should I modify the standard plot.xml file or it's needed changes in the alps scripts? Thanks for your support! João Lopes

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extract mean values from DMRG
by João Manuel Viana Parente Lopes 21 Nov '08

21 Nov '08

Dear All, I'm trying to produce a plot.xml file to extract the mean values from param.task1.out.xml file generated by dmrg program. The different SCALAR_AVERAGE tags are inside the xml structure: <EIGENSTATES number=""> <EIGENSTATE number="0"> .... </EIGENSTATE> </EIGENSTATES> And until know I wasn't able the extract any quantity from this structure... Can You give any clue? Thanks in advance João Lopes

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Compiler error taken care of
by Charles Mathy 21 Nov '08

21 Nov '08

Pardon my previous posting, it was covered in a previous thread. Just installed version 1.3.3 and it installed fine.

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Compiler error
by Charles Mathy 21 Nov '08

21 Nov '08

Hello, Configure ran without errors, but when trying to make alps I ran into a conflict error. I installed boost and tested it, it seems to work fine. In the configuration I disabled hfd5 because that was giving errors. make[1]: Entering directory `/group/cmtheory/cmathy/ALPS/alps-1.2.2/lib' Making all in alps make[2]: Entering directory `/group/cmtheory/cmathy/ALPS/alps-1.2.2/lib/alps' if /bin/sh ../../libtool --mode=compile g++ -DHAVE_CONFIG_H -I../../src -I../../src -DNDEBUG -I/group/cmtheory/cmathy/BOOST/boost_1_37_0 -DNDEBUG -pthread -w -ftemplate-depth-150 -O3 -fexceptions -MT latticelibrary.lo -MD -MP -MF ".deps/latticelibrary.Tpo" -c -o latticelibrary.lo `test -f '../../src/alps/lattice/latticelibrary.C' || echo './'`../../src/alps/lattice/latticelibrary.C; \ then mv -f ".deps/latticelibrary.Tpo" ".deps/latticelibrary.Plo"; else rm -f ".deps/latticelibrary.Tpo"; exit 1; fi g++ -DHAVE_CONFIG_H -I../../src -I../../src -DNDEBUG -I/group/cmtheory/cmathy/BOOST/boost_1_37_0 -DNDEBUG -pthread -w -ftemplate-depth-150 -O3 -fexceptions -MT latticelibrary.lo -MD -MP -MF .deps/latticelibrary.Tpo -c ../../src/alps/lattice/latticelibrary.C -fPIC -DPIC -o .libs/latticelibrary.o ../../src/alps/lattice/latticegraph.h: In function `void alps::make_graph_from_lattice(GRAPH&, const LATTICE&) [with LATTICE = alps::lattice_graph<alps::hypercubic_lattice<alps::coordinate_lattice<alps::simple_lattice<alps::GraphUnitCell, alps::simple_cell<alps::GraphUnitCell, std::vector<int, std::allocator<int> > > >, std::vector<double, std::allocator<double> > >, std::vector<int, std::allocator<int> > >, alps::coordinate_graph_type>, GRAPH = alps::coordinate_graph_type]': ../../src/alps/lattice/latticegraph.h:207: instantiated from `alps::lattice_graph<L, G>::lattice_graph(const L2&) [with L2 = alps::LatticeGraphDescriptor, LATTICE = alps::hypercubic_lattice<alps::coordinate_lattice<alps::simple_lattice<alps::GraphUnitCell, alps::simple_cell<alps::GraphUnitCell, std::vector<int, std::allocator<int> > > >, std::vector<double, std::allocator<double> > >, std::vector<int, std::allocator<int> > >, GRAPH = alps::coordinate_graph_type]' ../../src/alps/lattice/latticelibrary.C:135: instantiated from here /group/cmtheory/cmathy/BOOST/boost_1_37_0/boost/type_traits/extent.hpp:132: error: `template<class T, unsigned int N> struct boost::extent' is not a function, ../../src/alps/lattice/lattice.h:198: error: conflict with `template<class Lattice> typename alps::VectorTraits<typename alps::lattice_traits<L>::extent_type>::value_type alps::extent(const Lattice&, unsigned int)' ../../src/alps/lattice/latticegraph.h:166: error: in call to `extent' make[2]: *** [latticelibrary.lo] Error 1 make[2]: Leaving directory `/group/cmtheory/cmathy/ALPS/alps-1.2.2/lib/alps' make[1]: *** [all-recursive] Error 1 make[1]: Leaving directory `/group/cmtheory/cmathy/ALPS/alps-1.2.2/lib' make: *** [all-recursive] Error 1 Sincerely, Charles

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