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1244 discussions

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.

3 4

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

2 1

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

4 3

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.

2 5

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

1 0

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

2 1

to capture the reduced dm eigenvalues in dmrg
by A. Giovanni Ramirez Garcia 04 Feb '13

04 Feb '13

Hi all, Emanuele, I use to save the eigenvalues of the reduced density matrix too. The way I do it is to pipe the standard output to a grep command, then to a file. I'm using a GNU/Linux and there the grep command can "include" or "exclude" patterns it reads from a file. You know, the standard output for VERBOSE=1 includes too much information then I select what patterns I want to keep: SWEEP, ITERATION, RHO and I save that patterns in a file "patterns_file" (one per line) in the same directory where I put the python file with the definitions then, I run alpspython defs.py | grep -f patterns > rdm.log Then, the file rdm.log keeps the information about what SWEEP and what ITERATION has that list of RHO EIGENVALUES. Maybe it is not the best way to do it, I would like to know if someone else find another way to do it. Ciao Giovanni

1 0

Running MaxEnt code
by Viveka Singh 03 Feb '13

03 Feb '13

Dear all, I need to do the analytic continuation of my imaginary frequency / imaginary time data to the real frequency. I want to use the ALPS MaxEnt code for that, but I am not able to find an elaborate documentation on how to use the maxent code. I have looked at the "hybdoc.pdf", but not enough is being mentioned there and it is pointed there that a tutorial for the ALPS maxent code will be provided elsewhere. Can someone send me that link? Or can someone describe the input parameters that are required for the maxent code like - what are ALPHA's and how do one decide upon FREQUENCY_GRID? Do you need to spacify the OMEGA_MAX/OMEGA_MIN, even if someone wants to do the analytic continuation of imaginary time data? With regards, Viveka Nand Singh

2 1

Getting edge or bond type in spinmc
by Kourosh Sartipi 01 Feb '13

01 Feb '13

Hi everyone! I'm trying to write a code to do different calculations for different bond types, so I changed my lattice file and set edge type to 8888 for test, a part of lattice file is as follows: <EDGE type="8888"><SOURCE vertex="1"/><TARGET vertex="2" offset=" 0 0 0"/></EDGE> <EDGE type="8888"><SOURCE vertex="3"/><TARGET vertex="4" offset=" 0 0 0"/></EDGE> <EDGE type="8888"><SOURCE vertex="2"/><TARGET vertex="1" offset=" 1 0 0"/></EDGE> and I added a test code in alps/applications/mc/spins/spinsim.h as following: typedef typename AbstractSpinSim<MIdMatrix<double, M::dim> >::bond_iterator bond_iterator; for(bond_iterator bi = this->bonds().first; bi != this->bonds().second; bi++) { int et = this->edge_type(*bi); std::cout << et << std::endl; } but all I get from bond types is zero. Do you know how can I get the correct bond type here? Yours, Kourosh

1 0

reduced density matrix eigenvalues in DMRG
by Emanuele Levi 31 Jan '13

31 Jan '13

Dear ALPS users and developers, I am using the ALPS' DMRG application to run some simulations on a Heisenberg chain. Is there any way to output in the hdf file, or an external file, a certain number of eigenvalues of the reduced density matrix at each step? I know setting VERBOSE to 1 it prints in shell all the density matrix eigenvalues, and I could script this output. But is extremely long and not very convenient, so I am wandering if there is a better way of doing it. I thank you in advance for any help. Kindest regards. -- Emanuele Levi emanuele.levi(a)gmail.com

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Comp-phys-alps-users