Comp-phys-alps-users

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1248 discussions

How to output eigenvectors from fulldiag/sparsediag?
by Alex Petrescu 25 Feb '13

25 Feb '13

Hello ALPS, What option should a command line parameter file contain such that fulldiag or sparsediag outputs eigenvectors (besides eigenenergies) in the *.task*.out.xml file? (parameter file attached for spin 1 chain. The output .xml file solely contains energy levels versus good quantum numbers.) Thank you in advance for your answers, Alex LATTICE="chain lattice" MODEL="spin" local_S=1 J=1 CONSERVED_QUANTUMNUMBERS="Sz" MEASURE_ENERGY=true {L=2}

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Spinful bosons
by "Michał Maik" 25 Feb '13

25 Feb '13

Hi All, I am interested in doing some calulations with bosons that have spin. I looked through the model definitions in the ALPS libraries and found the "spinful bosons" site basis. However there seems to be no basis or Hamiltonian that uses this site basis. I was wondering if there is a reason for this or if it is just a matter of creating a basis and Hamiltionian which referances "spinful boson" instead of "boson". Also if that is the case, which QMC code will best work for this model? Thanks. Cheers Michal Maik

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building alps in Ubuntu 12.04
by Emanuele Levi 21 Feb '13

21 Feb '13

Dear all, I have just installed Ubuntu 12.04 on a desktop machine and I want to install ALPS. I downloaded all the required packages successfully, and also the source alps-2.1.1-r6176-src-with-boost.tar.gz<http://alps.comp-phys.org/static/software/releases/alps-2.1.1-r6176-src-wit…> Then I follow exactly the installation tutorial, that works smooth, and I end up with a folder called /opt/alps. The problem is that now I cannot execute any tutorial. In the shell I have no alpspython command available, and if I try to import pyalps in python it tells me that it doesn't exist. Did anyone install it in my way and know if there are additional steps to do? Many thanks for your kind help. Regards. -- Emanuele Levi emanuele.levi(a)gmail.com

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two-leg ladders with unequal on-site couplings
by Giuliano Orso 21 Feb '13

21 Feb '13

Dear ALPS users, I am trying to simulate two-leg ladders models of say hardcore bosons. I need that the lower and upper leg have different chemical potentials, mu0 and mu1 respectively. How can I implement that efficiently ? My naive idea: 1. define a unit cell with two vertex (lower and upper site) plus three edges (two horizontal+one vertical): <UNITCELL name="ladderCell" dimension="1"> <VERTEX type="0"/> <VERTEX type="1"/> <EDGE type="0"> <SOURCE vertex="0" offset="0"/> <TARGET vertex="0" offset="1"/> </EDGE> <EDGE type="1"> <SOURCE vertex="0" offset="0"/> <TARGET vertex="1" offset="0"/> </EDGE> <EDGE type="2"> <SOURCE vertex="1" offset="0"/> <TARGET vertex="1" offset="1"/> </EDGE> </UNITCELL> 2. The two-leg ladder is then a chain of such cells: <LATTICEGRAPH name = "my open two leg ladder"> <FINITELATTICE> <LATTICE ref="chain lattice"/> <EXTENT dimension="1" size ="L"/> <BOUNDARY type="open"/> </FINITELATTICE> <UNITCELL ref="ladderCell"/> </LATTICEGRAPH> 3. Finally I modify the model hamiltonian including the two different chemical potentials defined as parameters: <SITETERM type="0" site="i"> -mu0*n(i) </SITETERM> <SITETERM type="1" site="i"> -mu1*n(i) </SITETERM> When I execute dmrg, the code gets stuck at "parsing task files ..." Could you please help me? Thank you. My best regards, Giuliano

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Re: [ALPS-users] Gauge fields in ALPS
by Alex Petrescu 21 Feb '13

21 Feb '13

Hi Matthias, Thanks for your reply. Below is the simplest implementation that I could cook up with free spinless fermions on two sites with *directed* bonds. The output of sparsediag, including the error, is -------------------------------------------------------------------------- parsing task files ... Starting task 1. Quantumnumber N going from 0 to 2 with increment 1 Cannot evaluate expression t# * 1 * 1 -------------------------------------------------------------------------- My short source is attached below. I hope that it's a quick task to figure out what is wrong with the implementation. Thanks in advance, Alex Alexandru Petrescu / Physics Department, Yale University Code attachment In <alps-dir>/lib/xml/lattices.xml I added ------------------------------------------------------------------------ <GRAPH name="my 2-site" vertices="2"> <EDGE source="1" target="2" type="1"/> <EDGE source="2" target="1" type="2"/> </GRAPH> ------------------------------------------------------------------------- In <alps-dir>/lib/xml/models.xml, ------------------------------------------------------------------------ <HAMILTONIAN name="free spinless fermions with bondterm type"> <PARAMETER name="mu" default="0"/> <PARAMETER name="t" default="1"/> <BASIS ref="spinless fermion"/> <SITETERM site="i"> <PARAMETER name="mu#" default="mu"/> -mu#*n(i) </SITETERM> <BONDTERM type="1" source="i" target="j"> <PARAMETER name="t#" default="t"/> -t#*(cdag(i)*c(j)+cdag(j)*c(i)) </BONDTERM> <BONDTERM type="2" source="i" target="j"> <PARAMETER name="t#" default="t"/> -t#*(cdag(i)*c(j)+cdag(j)*c(i)) </BONDTERM> </HAMILTONIAN> ------------------------------------------------------------------------- The parameter file is LATTICE="my 2-site"; ------------------------------------------------------------------------- MODEL="free spinless fermions with bondterm type" NUMBER_EIGENVALUES = 1 CONSERVED_QUANTUMNUMBERS="N" MEASURE_ENERGY = true t = 3.0; V = 0.0; {mu=0.00} -------------------------------------------------------------------------- If instead "spinless fermions" with V=0 are used in the parameter file, sparsediag works, but all energies come out to be 0.

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Gauge fields in ALPS
by Alex Petrescu 17 Feb '13

17 Feb '13

Hello, Is it possible to implement gauge fields for the lattice models? More explicitly, can one define: - bond operators which are a function of the position of the source and target sites - bond operators which are a function of the order in which the source and target sites are specified (say the source site is of type 1, and the target site is of type 2, then there should be a phase Exp[i phi], and conjugate if the source is of type 2 and target of type 1.) Thanks for your answers, Alex

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How to use the hybridization expansion impurity solver libraries?
by backes＠th.physik.uni-frankfurt.de 13 Feb '13

13 Feb '13

Dear all, right now I'm working on a LDA+DMFT code and want to use the Hybridization Impurity Solver from the ALPS package. I have two questions regarding the implementation of the Impurity solver and would be very glad if you could provide me with some guidiance: My first question is, what is the best way to implement the impurity solver in a C++ code? What I've done so far is the following: I'm using the newest ALPS code version 2.1.1-r6176. By modifying the CMakeLists.txt files I compiled the code from the hybridization2 folder into a static library libhybridization_impl2.a which I planned to use. I included the impurity.h header file in my code and added the following Include- and Library-paths into my makefile: -L$(ALPS_DIR)/alps/src/boost -lboost \ -L$(ALPS_DIR)/alps/src/alps -lalps \ -L$(ALPS_DIR)/alps/applications/dmft/qmc -lhybridization_impl2 \ -L$(HOME)/local/lib/hdf5 -lsz \ -L$(HOME)/GotoBLAS2/current -lgoto2 \ -L/usr/lib/openmpi/lib -lmpi -lmpi_cxx \ -L/opt/intel/Compiler/11.1/046/lib/intel64 -limf -lirc -lifcore -lsvml -I$(ALPS_DIR)/alps/src \ -I$(ALPS_DIR)/alps/src/alps/ngs/lib \ -I$(ALPS_DIR)/alps/applications/dmft/qmc \ -I$(ALPS_DIR)/alps/applications/dmft/qmc/hybridization2 \ -I/usr/lib/openmpi/include As a reference I used the main.C file in the hybridization2 folder. Therefore, calling the impurity solver looks like this: int main(int argc, char *argv[]) { ... #ifdef USE_MPI boost::mpi::environment env(argc, argv); boost::mpi::communicator world; #endif ... //Do all initalization, generate intial Weiss-Field/Bath-GF //Enter DMFT loop while(!converged) { //Save Weiss-Field/Bath-GF into HDF5 file for the solver ... alps::mcoptions options(argc, argv); if (options.valid) { alps::parameters_type<hybridization>::type parms(alps::hdf5::archive(options.input_file, "r")); alps::parallel<hybridization> s(parms, world); if(options.time_limit!=0) throw std::invalid_argument("time limit is passed in the parameter file!"); if(!parms.defined("MAX_TIME")) throw std::runtime_error("parameter MAX_TIME is not defined. How long do you want to run the code for? (in seconds)"); s.run(boost::bind(&stop_callback, boost::posix_time::second_clock::local_time() + boost::posix_time::seconds((int)parms["MAX_TIME"]))); if (world.rank()==0) { alps::results_type<hybridization>::type results = collect_results(s); save_results(results, parms, options.output_file, "/simulation/results"); } ... //Read the results from the output file and convert //the Impurity GF from Legendre representation to //Matsubara representation. } //Do remaining DMFT steps: //Get Selfenergy //Hilbert-Transformation //Get new bath GF //check convergence } //end of DMFT loop } Everything seems to work quite well but I would also like to use the functions that print information about the percentage of work done and I want to feed and read my data directly in/to the impurity solver without writing them into a file. So the way I currently do it is far away from optimal. Can you give me a general advice on how you intended the impurity solver to be used in a C++ code? Another problem that I have, but want to adress after I resolved my first question, is that the GF from the Impurity Solver is not decaying like 1/w_n but with some factor ~ 1/1.5w_n. I'm using the Legendre representation of the GF and transform it back for further use in the DMFT cycle. Do you know a possible reason for this? Is this simply caused by too few Sweeps or Legendre coefficients? I'd greatly appreciate your help. Sincerely, Steffen Backes

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alps-2.1.1-r6670-src-with-boost installation error on ubuntu 12.04
by dasari＠jncasr.ac.in 12 Feb '13

12 Feb '13

Hi, I am trying to install alps-2.1.1-r6670-src-with-boost on my Desktop(ubuntu 12.04, 64 bit machine). The following is the script I run at the terminal. After cmake it seems to me everything fine. After that I issued a command make -j 3. Then I got an error at 100% build. You can see that error at the end of this mail. Could any one help me to solve this problem? export Boost_ROOT_DIR=/opt/boost_1_49_0 export CXX=/usr/bin/g++ export CXXFLAGS="-W -march=native -O3" export CC=/usr/bin/gcc export BUILD_SHARED_LIBS=OFF export MPI_COMPILER=/usr/bin/mpicc export MPIEXEC=/usr/lib/openmpi/bin/mpiexec export CMAKE_BUILD_TYPE=RELEASE export ALPS_BUILD_TESTS=OFF export CMAKE_INSTALL_PREFIX=/home/dasari/DMFT_ALPS/alps export HDF5_LIB=/opt/hdf5/lib/libhdf5.so export HDF5_INC=/opt/hdf5/include export MPI_EXTRA_LIBRARY=/usr/lib/openmpi/lib/libmpi.so cmake ../alps-2.1.1-r6670-src-with-boost/alps -DBoost_ROOT_DIR=$Boost_ROOT_DIR \ -DBUILD_SHARED_LIBS=$BUILD_SHARED_LIBS \ -DALPS_BUILD_APPLICATIONS=ON \ -DALPS_BUILD_EXAMPLES=ON \ -DALPS_INSTALL_HEADERS=OFF \ --DALPS_INCLUDE_TUTORIALS=ON \ -DCMAKE_BUILD_TYPE=$CMAKE_BUILD_TYPE \ -DALPS_BUILD_TESTS=$ALPS_BUILD_TESTS \ -DCMAKE_INSTALL_PREFIX=$CMAKE_INSTALL_PREFIX \ -DALPS_BUILD_NGS="ON" \ -DHDF5_LIBRARIES=$HDF5_LIB \ -DHDF5_INCLUDE_DIR=$HDF5_INC\ -DALPS_BUILD_PYTHON="ON"\ -DMPIEXEC=$MPIEXEC \ -DMPI_COMPILER=$MPI_COMPILER \ -DMPI_EXTRA_LIBRARY=$MPI_EXTRA_LIBRARY This is the error I got. Linking CXX executable spinmc_evaluate [100%] Built target spinmc_evaluate Scanning dependencies of target worm [100%] Building CXX object applications/qmc/worms/CMakeFiles/worm.dir/main.C.o In file included from /opt/boost_1_49_0/boost/python/detail/wrap_python.hpp:50:0, from /opt/boost_1_49_0/boost/python/detail/prefix.hpp:13, from /opt/boost_1_49_0/boost/python/args.hpp:8, from /opt/boost_1_49_0/boost/python.hpp:11, from /home/dasari/DMFT_ALPS/alps-2.1.1-r6670-src-with-boost/alps/src/alps/alea/mcdata.hpp:76, from /home/dasari/DMFT_ALPS/alps-2.1.1-r6670-src-with-boost/alps/src/alps/alea.h:34, from /home/dasari/DMFT_ALPS/alps-2.1.1-r6670-src-with-boost/alps/src/alps/alea/observableset.h:49, from /home/dasari/DMFT_ALPS/alps-2.1.1-r6670-src-with-boost/alps/src/alps/scheduler/montecarlo.h:40, from /home/dasari/DMFT_ALPS/alps-2.1.1-r6670-src-with-boost/alps/src/alps/scheduler.h:31, from /home/dasari/DMFT_ALPS/alps-2.1.1-r6670-src-with-boost/alps/applications/qmc/worms/WRun.h:34, from /home/dasari/DMFT_ALPS/alps-2.1.1-r6670-src-with-boost/alps/applications/qmc/worms/main.C:29: /usr/include/python2.7/pyconfig.h:1161:0: warning: "_POSIX_C_SOURCE" redefined [enabled by default] /usr/include/features.h:164:0: note: this is the location of the previous definition /usr/include/python2.7/pyconfig.h:1183:0: warning: "_XOPEN_SOURCE" redefined [enabled by default] /usr/include/features.h:166:0: note: this is the location of the previous definition Scanning dependencies of target worm_evaluate [100%] Building CXX object applications/qmc/worms/CMakeFiles/worm_evaluate.dir/evaluate.C.o In file included from /opt/boost_1_49_0/boost/python/detail/wrap_python.hpp:50:0, from /opt/boost_1_49_0/boost/python/detail/prefix.hpp:13, from /opt/boost_1_49_0/boost/python/args.hpp:8, from /opt/boost_1_49_0/boost/python.hpp:11, from /home/dasari/DMFT_ALPS/alps-2.1.1-r6670-src-with-boost/alps/src/alps/alea/mcdata.hpp:76, from /home/dasari/DMFT_ALPS/alps-2.1.1-r6670-src-with-boost/alps/src/alps/alea.h:34, from /home/dasari/DMFT_ALPS/alps-2.1.1-r6670-src-with-boost/alps/src/alps/alea/observableset.h:49, from /home/dasari/DMFT_ALPS/alps-2.1.1-r6670-src-with-boost/alps/src/alps/scheduler/montecarlo.h:40, from /home/dasari/DMFT_ALPS/alps-2.1.1-r6670-src-with-boost/alps/src/alps/scheduler.h:31, from /home/dasari/DMFT_ALPS/alps-2.1.1-r6670-src-with-boost/alps/applications/qmc/worms/evaluate.C:29: /usr/include/python2.7/pyconfig.h:1161:0: warning: "_POSIX_C_SOURCE" redefined [enabled by default] /usr/include/features.h:164:0: note: this is the location of the previous definition /usr/include/python2.7/pyconfig.h:1183:0: warning: "_XOPEN_SOURCE" redefined [enabled by default] /usr/include/features.h:166:0: note: this is the location of the previous definition Linking CXX executable worm Linking CXX shared library cthyb.so /usr/bin/ld: ../../../src/alps/libalps.a(hdf5.cpp.o): relocation R_X86_64_32S against `vtable for alps::bad_cast' can not be used when making a shared object; recompile with -fPIC ../../../src/alps/libalps.a: could not read symbols: Bad value collect2: ld returned 1 exit status make[2]: *** [applications/dmft/qmc/cthyb.so] Error 1 make[1]: *** [applications/dmft/qmc/CMakeFiles/cthyb.so.dir/all] Error 2 make[1]: *** Waiting for unfinished jobs.... [100%] Built target worm Linking CXX executable worm_evaluate [100%] Built target worm_evaluate make: *** [all] Error 2 With regards, Dasari.

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matrices as operators
by Mateusz Łącki 11 Feb '13

11 Feb '13

Dear All I would like to consult on the following manner: I would like to make it easy to use matrices stored in text files as operators in alps situations. My current solution is: 1. I have found a place where functions such as "sin" are defined in the code. 2. I have added "KroneckerDelta" function 3. I have written a script that produces apriopriate "model.xml" given text files with the operators I want to use in alps. It seems it works, but the solution is ugly: my custom operator are lengthy sums of the form KD(n,5)*0.321 for the diabonal operators, even worse for general, nondiagonal operator :) Is there a nicer way to do it ?:) Perhaps it is possible to write a nice function for alps that creates such an operatr. I would like to ask for a hit for best way to code it :) Regards, Mateusz Lacki

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Winding numbers
by "Michał Maik" 08 Feb '13

08 Feb '13

Hello, I asked this question earilier but recieved no response so I'll try again. I am curious if is it possible to get the winding number histogram from the SSE and worms code. There seem to be references to it in the code but since I am not familiar with C++ I do not know how to extract it. In Wmeas.C I found "measurements["Winding number histogram"]" but adding, "MEASURE[Winding number histogram]=true" to the parameter file doesn't do anything. If anyone has any suggestions on how to get this to work I would really apprieciate it. Thanks! Best Regards Michal Maik

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Comp-phys-alps-users