Comp-phys-alps-users

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1248 discussions

Fermionic Hubbard model.
by Vladimir Iglovikov 25 Jan '14

25 Jan '14

Dear ALPS community. I am studying Fermionic Hubbard model. And right now I am using QUEST package from quest-qmc.googlecode.com, Algorithm that is used in it is Determinant Quantum Monte Carlo. I do not like how it scales with lattice size and beta (inverse temperature) and I do not like that you should do extra extrapolation to take of the Trotter errors. I was thinking if some other algorithms do not have these problems. I am trying to use ALPS to do study the same model. [1] I've tried and successfully used Full and Sparse diagonalisation routines and they are great( Small wishes: [1][a] It will be nice if diagonalization code could measure 4 operator variables. [1][b] It will be nice if routines were able to use not only translational symmetries, but also point groups. ) [2] I'v tried to use 'dirloop_sse', but I get "Cannot convert fermionic operator to a bosonic matrix" [3] All tutorials about Monte Carlo, that I found in the ALPS package work either with spin or boson models. So, question is: Is there any Monte Carlo routine that works with Fermionic Hubbard model? Questions not related to Physics: [4] Is there any url, similar to http://docs.python.org, where I can find documentation about pyalps library? Right now I am using help(function_name), but this looks like a bad way to get the information. [5] Is there any bug tracker? Thank you for any help.

2 1

error while running hybridization code
by Hideyuki Miyahara 24 Jan '14

24 Jan '14

Dear all, when i ran dmft-02-hybridization by alpspython tutorial2.py, I got errors shown below. I know that info in dgesv must be zero when dgesv is working well. Did i do something wrong? if possible, please let me know what to do for this error. thank you! ---- output ---- process 0 starting simulation in dgesv: info was not zero. System error code 65280 encountered when executing command: "/opt/alps/bin/hybridization" alps_external_solver_in_LrPRrf alps_external_solver_out_P41wbH /usr/lib/pymodules/python2.7/matplotlib/axes.py:4601: UserWarning: No labeled objects found. Use label='...' kwarg on individual plots. warnings.warn("No labeled objects found. " ------- details of output ----------- dmft parm_beta_6.0 ALPS DMFT framework for the single site impurity problem. For further information see the ALPS DMFT paper: Computer Physics Communications 182, 1078 (2011) copyright (c) 2005-2010 by the ALPS collaboration. Consult the web page for license details. based on the ALPS libraries version 2.2.b1 available from http://alps.comp-phys.org/ copyright (c) 1994-2012 by the ALPS collaboration. Consult the web page for license details. For details see the publication: B. Bauer et al., J. Stat. Mech. (2011) P05001. BANDSTRUCTURE: Semicircular DOS: for flavors 0 and 1 using hopping t =0.707107 using external solver: hybridization GeneralFSHilbertTransformer::initial_G0: calculating non-interacting initial G0_omega GeneralFSHilbertTransformer: AFM version; using: mu=0, h=0.05, beta=6 using general fourier transformer starting iteration nr. 1 running solver. Calling external solver /opt/alps/bin/hybridization as: "/opt/alps/bin/hybridization" alps_external_solver_in_aq4b21 alps_external_solver_out_xaaxdt (effective) U matrix with 2 orbitals: 0 3 3 0 (effective) chemical potential with 2 orbitals: 1.45 1.55 local configuration: 0 empty 1 empty the hybridization function is: 0 -0.227956 -0.272044 1 -0.226407 -0.270224 2 -0.224888 -0.268409 3 -0.223386 -0.266613 4 -0.221901 -0.264835 5 -0.220432 -0.263075 6 -0.21898 -0.261333 7 -0.217543 -0.259609 8 -0.216122 -0.257903 9 -0.214717 -0.256214 ... *** etc *** ... 500 -0.272044 -0.227956 Hybridization Expansion Simulation CT-HYB Part of the ALPS DMFT Project Usage requires citation of the ALPS CT-HYB paper and the ALPS paper Refer to the documentation for more information. process 0 starting simulation in dgesv: info was not zero. System error code 65280 encountered when executing command: "/opt/alps/bin/hybridization" alps_external_solver_in_aq4b21 alps_external_solver_out_xaaxdt dmft parm_beta_12.0 ALPS DMFT framework for the single site impurity problem. For further information see the ALPS DMFT paper: Computer Physics Communications 182, 1078 (2011) copyright (c) 2005-2010 by the ALPS collaboration. Consult the web page for license details. based on the ALPS libraries version 2.2.b1 available from http://alps.comp-phys.org/ copyright (c) 1994-2012 by the ALPS collaboration. Consult the web page for license details. For details see the publication: B. Bauer et al., J. Stat. Mech. (2011) P05001. BANDSTRUCTURE: Semicircular DOS: for flavors 0 and 1 using hopping t =0.707107 using external solver: hybridization GeneralFSHilbertTransformer::initial_G0: calculating non-interacting initial G0_omega GeneralFSHilbertTransformer: AFM version; using: mu=0, h=0.05, beta=12 using general fourier transformer starting iteration nr. 1 running solver. Calling external solver /opt/alps/bin/hybridization as: "/opt/alps/bin/hybridization" alps_external_solver_in_LrPRrf alps_external_solver_out_P41wbH (effective) U matrix with 2 orbitals: 0 3 3 0 (effective) chemical potential with 2 orbitals: 1.45 1.55 local configuration: 0 empty 1 empty the hybridization function is: 0 -0.220582 -0.279418 1 -0.217322 -0.275621 2 -0.214157 -0.27187 3 -0.211057 -0.268192 4 -0.208022 -0.264585 5 -0.205048 -0.261048 6 -0.202135 -0.25758 7 -0.199281 -0.254178 8 -0.196485 -0.250842 9 -0.193746 -0.24757 ... *** etc *** ... 500 -0.279418 -0.220582 Hybridization Expansion Simulation CT-HYB Part of the ALPS DMFT Project Usage requires citation of the ALPS CT-HYB paper and the ALPS paper Refer to the documentation for more information. process 0 starting simulation in dgesv: info was not zero. System error code 65280 encountered when executing command: "/opt/alps/bin/hybridization" alps_external_solver_in_LrPRrf alps_external_solver_out_P41wbH /usr/lib/pymodules/python2.7/matplotlib/axes.py:4601: UserWarning: No labeled objects found. Use label='...' kwarg on individual plots. warnings.warn("No labeled objects found. " hide

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tmp file in DMRG
by hamid mosadegh 23 Jan '14

23 Jan '14

Dear ALPS community, When using DMRG calculation for simulation a large one dimension lattice, A huge temporary file ( over than 500G for L=200 and Hubbard model ) is created. is there any method to reduce this file. Thank you for any help, -- H. Mosadeq Ph.D. student of Physics, Isfahan Univ. of Technology, Isfahan 84156, Isfahan, IRAN

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Eigenvectors in DMRG
by hamid mosadegh 19 Jan '14

19 Jan '14

Dear All I want to evalute fedility using eigenvectors. Is it possible to get eigenvectors in DMRG caculations. Thanks -- H. Mosadeq Ph.D. student of Physics, Isfahan Univ. of Technology, Isfahan 84156, Isfahan, IRAN

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Re: [ALPS-users] specific heat on dirloop_sse
by Tadeusz Wasiutyński 17 Jan '14

17 Jan '14

Thank you, I shall try. tadeusz 2014/1/17 <comp-phys-alps-users-request(a)lists.phys.ethz.ch> > Send Comp-phys-alps-users mailing list submissions to > comp-phys-alps-users(a)lists.phys.ethz.ch > > To subscribe or unsubscribe via the World Wide Web, visit > https://lists.phys.ethz.ch/listinfo/comp-phys-alps-users > or, via email, send a message with subject or body 'help' to > comp-phys-alps-users-request(a)lists.phys.ethz.ch > > You can reach the person managing the list at > comp-phys-alps-users-owner(a)lists.phys.ethz.ch > > When replying, please edit your Subject line so it is more specific > than "Re: Contents of Comp-phys-alps-users digest..." > > > Today's Topics: > > 1. Re: specific heat on dirloop_sse calculation (Matthias Troyer) > > > ---------------------------------------------------------------------- > > Message: 1 > Date: Thu, 16 Jan 2014 08:06:10 -0500 > From: Matthias Troyer <troyer(a)phys.ethz.ch> > To: ALPS user list <comp-phys-alps-users(a)lists.phys.ethz.ch> > Subject: Re: [ALPS-users] specific heat on dirloop_sse calculation > Message-ID: <0383E277-FA60-478B-9033-B4782AD75468(a)phys.ethz.ch> > Content-Type: text/plain; charset=utf-8 > > The specific heat can be calculated from the mean expansion order, and the > mean of the squared expansion order. It is proportional to <n^2>-<n>^2-<n>, > when n is the order. You will need to look up the prefactors in the SSE > references. I don't them with me right now. > > Matthias > > On 16 Jan 2014, at 05:10, Tadeusz Wasiuty?ski < > tadeusz.wasiutynski(a)ifj.edu.pl> wrote: > > > Is it possible to calculate specific heat within spin model by > dirloop_sse? From observables list it is not. It looks that <E> is > observable but <E2> is not. Am I right? > > Tadeusz > > > > End of Comp-phys-alps-users Digest, Vol 94, Issue 12 > **************************************************** >

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specific heat on dirloop_sse calculation
by Tadeusz Wasiutyński 16 Jan '14

16 Jan '14

Is it possible to calculate specific heat within spin model by dirloop_sse? >From observables list it is not. It looks that <E> is observable but <E2> is not. Am I right? Tadeusz

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Compilation error on cluster
by Jorge López 15 Jan '14

15 Jan '14

Dear All: I am trying to compile ALPS on a cluster using a local installation. I have installed all required software, and I suppose I have told the system where to find everything, but I am having the following error message: $ cmake -D Boost_ROOT_DIR:PATH=/home/jorgext/alps-2.1.1-r6176-src-with-boost/boost/ /home/jorgext/alps-2.1.1-r6176-src-with-boost/alps/ -D BLAS_LIBRARY=/usr/lib64/libblas.so.3.0.3 -D LAPACK_LIBRARY=/usr/lib64/liblapack.so.3.0.3 -D LAPACK_64_BIT=ON -D HDF5_LIBRARIES=/home/jorgext/opt/lib/libhdf5.so.8 -D HDF5_INCLUDE_DIR=/home/jorgext/opt/include/ /home/jorgext/alps-2.1.1-r6176-src-with-boost/alps/ CMake Error: Could not open file for write in copy operation /CMakeSystem.cmake.tmp CMake Error: : System Error: Permission denied CMake Error at /home/jorgext/opt/share/cmake-2.8/Modules/CMakeDetermineSystem.cmake:182 (configure_file): configure_file Problem configuring file Call Stack (most recent call first): CMakeLists.txt:110 (include) -- The C compiler identification is GNU 4.1.2 -- The CXX compiler identification is GNU 4.1.2 -- Check for working C compiler: /usr/bin/cc -- Check for working C compiler: /usr/bin/cc -- works -- Detecting C compiler ABI info -- Detecting C compiler ABI info - done -- Check for working CXX compiler: /usr/bin/c++ -- Check for working CXX compiler: /usr/bin/c++ -- works -- Detecting CXX compiler ABI info -- Detecting CXX compiler ABI info - done -- Build type: Release -- Python interpreter /home/jorgext/opt/bin/python -- Python interpreter ok : version 2.7.5 -- PYTHON_INCLUDE_DIRS = /home/jorgext/opt/include/python2.7 -- PYTHON_NUMPY_INCLUDE_DIR = /home/jorgext/opt/lib/python2.7/site-packages/numpy/core/include -- PYTHON_SITE_PKG = /home/jorgext/opt/lib/python2.7/site-packages -- PYTHON_LIBRARY = /home/jorgext/opt/lib/python2.7/config/libpython2.7.a -- PYTHON_EXTRA_LIBS =-lpthread -ldl -lutil -- PYTHON_LINK_FOR_SHARED = -Xlinker -export-dynamic -- ALPS version: 2.1.1 -- Looking for rpc/rpc.h -- Looking for rpc/rpc.h - found -- Looking for stdarg.h -- Looking for stdarg.h - found -- Looking for sys/stat.h -- Looking for sys/stat.h - found -- Looking for sys/systeminfo.h -- Looking for sys/systeminfo.h - not found -- Looking for sys/types.h -- Looking for sys/types.h - found -- Looking for unistd.h -- Looking for unistd.h - found -- Looking for windows.h -- Looking for windows.h - not found -- Looking for C++ include valarray -- Looking for C++ include valarray - found -- Looking for Boost Source -- Found Boost Source: /home/jorgext/alps-2.1.1-r6176-src-with-boost/boost -- Boost Version: 1_49_0 -- Found MPI_C: /opt/openmpi/lib/libmpi.so;/opt/openmpi/lib/libopen-rte.so;/opt/openmpi/lib/libopen-pal.so;/usr/lib64/libdl.so;/usr/lib64/libnsl.so;/usr/lib64/libutil.so;/usr/lib64/libm.so;/usr/lib64/libdl.so -- Found MPI_CXX: /opt/openmpi/lib/libmpi_cxx.so;/opt/openmpi/lib/libmpi.so;/opt/openmpi/lib/libopen-rte.so;/opt/openmpi/lib/libopen-pal.so;/usr/lib64/libdl.so;/usr/lib64/libnsl.so;/usr/lib64/libutil.so;/usr/lib64/libm.so;/usr/lib64/libdl.so -- MPI compiler was /opt/openmpi/bin/mpicxx -- Found SQLite Library: /usr/lib64/libsqlite3.so -- Found FFTW: /usr/local/lib/libfftw3.a -- LPSolve Library: not found -- Found ZLIB: /usr/lib64/libz.so -- Could NOT find SZIP (missing: SZIP_LIBRARIES SZIP_INCLUDE_DIRS) -- Found HDF5: /home/jorgext/opt/lib/libhdf5.so.8 -- HDF5: /home/jorgext/opt/include/ /home/jorgext/opt/lib/libhdf5.so.8 HDF5_DLL-NOTFOUND;HDF5_HL_DLL-NOTFOUND -- Python interpreter /home/jorgext/opt/bin/python -- Python interpreter ok : version 2.7.5 -- PYTHON_INCLUDE_DIRS = /home/jorgext/opt/include/python2.7 -- PYTHON_NUMPY_INCLUDE_DIR = /home/jorgext/opt/lib/python2.7/site-packages/numpy/core/include -- PYTHON_SITE_PKG = /home/jorgext/opt/lib/python2.7/site-packages -- PYTHON_LIBRARY = /home/jorgext/opt/lib/python2.7/config/libpython2.7.a -- PYTHON_EXTRA_LIBS =-lpthread -ldl -lutil -- PYTHON_LINK_FOR_SHARED = -Xlinker -export-dynamic -- Numpy include in /home/jorgext/opt/lib/python2.7/site-packages/numpy/core/include -- ALPS XML dir is /opt/alps/lib/xml -- Adding Boost dir: /home/jorgext/alps-2.1.1-r6176-src-with-boost/boost -- HDF5: /home/jorgext/opt/include/ /home/jorgext/opt/lib/libhdf5.so.8 HDF5_DLL-NOTFOUND;HDF5_HL_DLL-NOTFOUND;HDF5_DLL-NOTFOUND;HDF5_HL_DLL-NOTFOUND -- HDF5: /home/jorgext/opt/include/ /home/jorgext/opt/lib/libhdf5.so.8 HDF5_DLL-NOTFOUND;HDF5_HL_DLL-NOTFOUND;HDF5_DLL-NOTFOUND;HDF5_HL_DLL-NOTFOUND -- tebd will not be built -- Configuring incomplete, errors occurred! See also "/home/jorgext/build/CMakeFiles/CMakeOutput.log". See also "/home/jorgext/build/CMakeFiles/CMakeError.log". I hope you can help me. I have attached the CMakeCache.txt file. Jorge López

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MaxEnt
by tesfaye mamuye 15 Jan '14

15 Jan '14

Dear developers I'm interest on DMFT code in ALPS. I need to do analytic continuation of the CT-QMC data to real frequency. I want to use the ALPS MaxEnt code. But there is no elaborate documentation regarding MaxEnt. In .bybdoc.pdf' documentation it is pointed out that a tutorial for alps MaxEnt code will be provided elsewhere. 1. Ca someone send me the code or describe parameters, input/output files and any necessary information to run MaxEnt ? or any one who will guide me on MaxEnt? 2. How to plot the phase diagram (T Vs U) for the DMFT impurity silver

2 1

Additional DoF off the lattice
by Alex Edelman 10 Jan '14

10 Jan '14

Dear ALPS community, I am looking to simulate something with a few quantum degrees of freedom beyond those which live on the lattice. For concreteness, imagine a spin at each lattice site that can couple to a single photon mode that permeates the whole lattice, similar to the Dicke model. Naively there would seem to be no fundamental obstacle to simulating this, so I wonder if there is a natural way to do it within ALPS, or if I should be looking for a clever hack. Thank you for any help, Alex Edelman

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DMRG Su(n) model
by Moreno William 08 Jan '14

08 Jan '14

Dear developers, I have written a model (who can be used as a model library) who generalize to classical Heisenberg model for fermion with spin up and down to fermion with ’n’ degrees of freedom and two particles per sites. Here is my code <MODELS> <SITEBASIS name ="SU5_m2"> <QUANTUMNUMBER name="N_1" min ="0" max ="1" type="fermionic"/> <QUANTUMNUMBER name="N_2" min ="0" max ="1" type="fermionic"/> <QUANTUMNUMBER name="N_3" min ="0" max ="(1 - N_1*N_2)" type ="fermionic"/> <QUANTUMNUMBER name="N_4" min ="(1 - N_1)*(1 - N_2)*(1 - N_3)" max ="(1 - N_1*N_2)*(1 - N_1*N_3)*(1 - N_2*N_3)" type ="fermionic"/> <QUANTUMNUMBER name="N_5" min ="2 - N_1 - N_2 - N_3 - N_4" max ="2 - N_1 - N_2 - N_3 - N_4" type ="fermionic"/> <OPERATOR name="S_1_1" matrixelement="N_1"/> <OPERATOR name="S_2_2" matrixelement="N_2"/> <OPERATOR name="S_3_3" matrixelement="N_3"/> <OPERATOR name="S_4_4" matrixelement="N_4"/> <OPERATOR name="S_5_5" matrixelement="N_5"/> <OPERATOR name="S_1_2" matrixelement="1"> <CHANGE quantumnumber="N_2" change="-1"/> <CHANGE quantumnumber="N_1" change="+1"/> </OPERATOR> <OPERATOR name="S_1_3" matrixelement="1"> <CHANGE quantumnumber="N_3" change="-1"/> <CHANGE quantumnumber="N_1" change="+1"/> </OPERATOR> <OPERATOR name="S_1_4" matrixelement="1"> <CHANGE quantumnumber="N_4" change="-1"/> <CHANGE quantumnumber="N_1" change="+1"/> </OPERATOR> <OPERATOR name="S_1_5" matrixelement="1"> <CHANGE quantumnumber="N_5" change="-1"/> <CHANGE quantumnumber="N_1" change="+1"/> </OPERATOR> <OPERATOR name="S_2_1" matrixelement="1"> <CHANGE quantumnumber="N_1" change="-1"/> <CHANGE quantumnumber="N_2" change="+1"/> </OPERATOR> <OPERATOR name="S_2_3" matrixelement="1"> <CHANGE quantumnumber="N_3" change="-1"/> <CHANGE quantumnumber="N_2" change="+1"/> </OPERATOR> <OPERATOR name="S_2_4" matrixelement="1"> <CHANGE quantumnumber="N_4" change="-1"/> <CHANGE quantumnumber="N_2" change="+1"/> </OPERATOR> <OPERATOR name="S_2_5" matrixelement="1"> <CHANGE quantumnumber="N_5" change="-1"/> <CHANGE quantumnumber="N_2" change="+1"/> </OPERATOR> <OPERATOR name="S_3_1" matrixelement="1"> <CHANGE quantumnumber="N_1" change="-1"/> <CHANGE quantumnumber="N_3" change="+1"/> </OPERATOR> <OPERATOR name="S_3_2" matrixelement="1"> <CHANGE quantumnumber="N_2" change="-1"/> <CHANGE quantumnumber="N_3" change="+1"/> </OPERATOR> <OPERATOR name="S_3_4" matrixelement="1"> <CHANGE quantumnumber="N_4" change="-1"/> <CHANGE quantumnumber="N_3" change="+1"/> </OPERATOR> <OPERATOR name="S_3_5" matrixelement="1"> <CHANGE quantumnumber="N_5" change="-1"/> <CHANGE quantumnumber="N_3" change="+1"/> </OPERATOR> <OPERATOR name="S_4_1" matrixelement="1"> <CHANGE quantumnumber="N_1" change="-1"/> <CHANGE quantumnumber="N_4" change="+1"/> </OPERATOR> <OPERATOR name="S_4_2" matrixelement="1"> <CHANGE quantumnumber="N_2" change="-1"/> <CHANGE quantumnumber="N_4" change="+1"/> </OPERATOR> <OPERATOR name="S_4_3" matrixelement="1"> <CHANGE quantumnumber="N_3" change="-1"/> <CHANGE quantumnumber="N_4" change="+1"/> </OPERATOR> <OPERATOR name="S_4_5" matrixelement="1"> <CHANGE quantumnumber="N_5" change="-1"/> <CHANGE quantumnumber="N_4" change="+1"/> </OPERATOR> <OPERATOR name="S_5_1" matrixelement="1"> <CHANGE quantumnumber="N_1" change="-1"/> <CHANGE quantumnumber="N_5" change="+1"/> </OPERATOR> <OPERATOR name="S_5_2" matrixelement="1"> <CHANGE quantumnumber="N_2" change="-1"/> <CHANGE quantumnumber="N_5" change="+1"/> </OPERATOR> <OPERATOR name="S_5_3" matrixelement="1"> <CHANGE quantumnumber="N_3" change="-1"/> <CHANGE quantumnumber="N_5" change="+1"/> </OPERATOR> <OPERATOR name="S_5_4" matrixelement="1"> <CHANGE quantumnumber="N_4" change="-1"/> <CHANGE quantumnumber="N_5" change="+1"/> </OPERATOR> </SITEBASIS> <BASIS name = "SU5_m2" > <SITEBASIS ref="SU5_m2"/> <CONSTRAINT quantumnumber="N_1" value="N_total"/> <CONSTRAINT quantumnumber="N_2" value="N_total"/> <CONSTRAINT quantumnumber="N_3" value="N_total"/> <CONSTRAINT quantumnumber="N_4" value="N_total"/> <CONSTRAINT quantumnumber="N_5" value="N_total"/> </BASIS> <HAMILTONIAN name ="SU5_m2" > <BASIS ref="SU5_m2"/> <BONDTERM source="i" target="j"> S_1_1(i)*S_1_1(j) + S_1_2(i)*S_2_1(j) + S_1_3(i)*S_3_1(j) + S_1_4(i)*S_4_1(j) + S_1_5(i)*S_5_1(j) + S_2_1(i)*S_1_2(j) + S_2_2(i)*S_2_2(j) + S_2_3(i)*S_3_2(j) + S_2_4(i)*S_4_2(j) + S_2_5(i)*S_5_2(j) + S_3_1(i)*S_1_3(j) + S_3_2(i)*S_2_3(j) + S_3_3(i)*S_3_3(j) + S_3_4(i)*S_4_3(j) + S_3_5(i)*S_5_3(j) + S_4_1(i)*S_1_4(j) + S_4_2(i)*S_2_4(j) + S_4_3(i)*S_3_4(j) + S_4_4(i)*S_4_4(j) + S_4_5(i)*S_5_4(j) + S_5_1(i)*S_1_5(j) + S_5_2(i)*S_2_5(j) + S_5_3(i)*S_3_5(j) + S_5_4(i)*S_4_5(j) + S_5_5(i)*S_5_5(j) </BONDTERM> </HAMILTONIAN> </MODELS> The problem is that the ground state energy is -622 and the first excited energy is -670 in a open chain lattice with 5 sites. Obviously somethings is wrong because the ground state energy is greater than the first excited energy. I don’t know if the min and max condition in the quantum number are correctly implemented or maybe this is not the correct way to implement the bond term? Can you help me ? Best regards, William Moreno

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Comp-phys-alps-users