Comp-phys-alps-users

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1244 discussions

Fwd: International summer school on Computational Methods for Quantum Materials
by Matthias Troyer 17 Feb '14

17 Feb '14

Begin forwarded message: > From: André-Marie Tremblay <Andre-Marie.Tremblay(a)USherbrooke.ca> > Date: February 17, 2014 at 3:33:44 GMT+1 > To: "'chubukov'" <chubukov(a)physics.wisc.edu> > Subject: International summer school on Computational Methods for Quantum Materials > > Dear colleague, > > This is a last-minute reminder that the deadline for application for the > School on Computational Methods for Quantum Materials has been extended to > this coming Friday, Feb. 21. Please encourage your students to apply. > > When: May 26 to June 6, 2014 > Where: Sherbrooke, Québec, Canada > > The School will stress the cross-fertilization between ab initio approaches > and those for highly correlated quantum materials. The school can be > credited for a PhD course. Special attention will be given to pedagogical > aspects. > > Hands-on training on ABINIT, ALPS, a Wien2K+DMFT code and on the ITensor > code for DMRG will be an integral part of the School. > > The application form and detailed information about the School are available > at http://pitp.phas.ubc.ca/confs/sherbrooke2014/index.html > > Lecturers: > Côté, Michel > Del Maestro, Adrian > Garate, Ion > Haule, Kristjan > Kotliar, Gabi > Melko, Roger > Orus, Roman > Rignanese, Gian-Marco > Schöllwock, Uli > Sénéchal, David > Tremblay, André-Marie > Troyer, Matthias > Werner, Philipp > Stoudenmire, Miles > > Best regards, > André-Marie Tremblay > >

1 0

DMRG command not found
by Tao Ying 12 Feb '14

12 Feb '14

Dear all, I installed ALPS on my debian system, I can used the commands such as "worm" or "qwl", but when I tried to use "dmrg", the line "command not found" appears. I can see the DMRG folders in my disc. Any reason for this? Best, TaoYing -- Tao Ying, Ph.D candidate, Physics department Harbin Institute of Technology

4 4

Conserving up and down spins in TEBD
by Deepak Iyer 10 Feb '14

10 Feb '14

Hi Is there any way to fix the no. of up and down spins in the TEBD code for the fermion hubbard model? It seems like I'm only allowed to conserve total N and the up and down are randomly assigned and varies from run to run. Thanks! Deepak

2 4

non-symmetric Hamiltonians
by Emanuele Levi 30 Jan '14

30 Jan '14

Dear ALPS users, I would like to build a non-symmetric Hamiltonian. To do so I started playing with definitions, defining <SITEOPERATOR name="Sx" site="x"> 1/2*(Splus(x)+Sminus(x)) </SITEOPERATOR> <SITEOPERATOR name="Syy" site="x"> 1/2*(Sminus(x)-Splus(x)) </SITEOPERATOR> and the two Hamiltonians <HAMILTONIAN name="H1"> <PARAMETER name="Kappa" default="0"/> <BASIS ref="spin"/> <SITETERM site="i"> Sz(i)+Kappa*Syy(i) </SITETERM> </HAMILTONIAN> <HAMILTONIAN name="H2"> <PARAMETER name="Kappa" default="0"/> <BASIS ref="spin"/> <SITETERM site="i"> Sz(i)+Kappa*Sx(i) </SITETERM> </HAMILTONIAN> Diagonalizing exactly these Hamiltonians for few sites of an open chain I expect different results, because there's no unitary transformation that connects Sx with Syy (there would be between Sx and Sy, but Syy=-i*Sy). Strangely enough I get the same eigenvalues for both Hamiltonians. Do you know what is the problem here? Am I allowed at all to define antisymmetric operators in ALPS? Thank you in advance for your help. Kindest regards. -- Dr Emanuele Levi emanuele.levi(a)gmail.com

1 0

problems in compiling alps on a Ubuntu 12.04 (64bit) machine
by Emanuele Levi 29 Jan '14

29 Jan '14

Dear all, I am trying to install ALPS on a Ubuntu 12.04 (64bit) machine. I have downloaded all the needed libraries, and then I have downloaded and extracted on my desktop alps-2.2.b1-r7195-src-with-boost. I then move into the folder (which contains the subfolders alps and boost) and give the command sudo cmake -D Boost_ROOT_DIR:PATH=boost/ alps/ I get some errors, here is the output -- The C compiler identification is GNU -- The CXX compiler identification is GNU -- Check for working C compiler: /usr/bin/gcc -- Check for working C compiler: /usr/bin/gcc -- 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 -- Compiler version: c++ (Ubuntu/Linaro 4.6.3-1ubuntu5) 4.6.3 -- Build type: Release -- Python interpreter /usr/bin/python -- Python interpreter ok : version 2.7.3 -- PYTHON_INCLUDE_DIRS = /usr/include/python2.7 -- PYTHON_NUMPY_INCLUDE_DIR = /usr/lib/python2.7/dist-packages/numpy/core/include -- PYTHON_SITE_PKG = /usr/lib/python2.7/dist-packages -- PYTHON_LIBRARY = /usr/lib/python2.7/config/libpython2.7.so -- PYTHON_EXTRA_LIBS =-lssl -lcrypto -lssl -lcrypto -L/usr/lib -lz -lpthread -ldl -lutil -- PYTHON_LINK_FOR_SHARED = -Xlinker -export-dynamic -Wl,-O1 -Wl,-Bsymbolic-functions -- ALPS version: 2.2.b1 -- 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 CMake Error at config/FindBoostSrc.cmake:89 (file): file Internal CMake error when trying to open file: /home/emanuele/Desktop/alps-2.2.b1-r7195-src-with-boost/alps/boost/boost/version.hpp for reading. Call Stack (most recent call first): config/FindBoostForALPS.cmake:69 (find_package) CMakeLists.txt:275 (find_package) CMake Error at config/FindBoostSrc.cmake:94 (MATH): math cannot parse the expression: " / 100000": syntax error, unexpected exp_DIVIDE, expecting exp_OPENPARENT or exp_NUMBER (2) Call Stack (most recent call first): config/FindBoostForALPS.cmake:69 (find_package) CMakeLists.txt:275 (find_package) CMake Error at config/FindBoostSrc.cmake:95 (MATH): math cannot parse the expression: " / 100 % 1000": syntax error, unexpected exp_DIVIDE, expecting exp_OPENPARENT or exp_NUMBER (2) Call Stack (most recent call first): config/FindBoostForALPS.cmake:69 (find_package) CMakeLists.txt:275 (find_package) CMake Error at config/FindBoostSrc.cmake:96 (MATH): math cannot parse the expression: " % 100": syntax error, unexpected exp_MOD, expecting exp_OPENPARENT or exp_NUMBER (2) Call Stack (most recent call first): config/FindBoostForALPS.cmake:69 (find_package) CMakeLists.txt:275 (find_package) -- Found Boost Source: boost -- Boost Version: __ -- Adding Boost dir: boost -- Found MPI_C: /usr/lib/openmpi/lib/libmpi.so;/usr/lib/openmpi/lib/libopen-rte.so;/usr/lib/openmpi/lib/libopen-pal.so;/usr/lib/x86_64-linux-gnu/libdl.so;/usr/lib/x86_64-linux-gnu/libnsl.so;/usr/lib/x86_64-linux-gnu/libutil.so;/usr/lib/x86_64-linux-gnu/libm.so;/usr/lib/x86_64-linux-gnu/libdl.so -- Found MPI_CXX: /usr/lib/openmpi/lib/libmpi_cxx.so;/usr/lib/openmpi/lib/libmpi.so;/usr/lib/openmpi/lib/libopen-rte.so;/usr/lib/openmpi/lib/libopen-pal.so;/usr/lib/x86_64-linux-gnu/libdl.so;/usr/lib/x86_64-linux-gnu/libnsl.so;/usr/lib/x86_64-linux-gnu/libutil.so;/usr/lib/x86_64-linux-gnu/libm.so;/usr/lib/x86_64-linux-gnu/libdl.so -- MPI compiler was /usr/bin/mpicxx -- Falling back to CMake provied LAPACK/BLAS detection. -- Looking for dgemm_ -- Looking for dgemm_ - found -- Looking for include files CMAKE_HAVE_PTHREAD_H -- Looking for include files CMAKE_HAVE_PTHREAD_H - found -- Looking for pthread_create in pthreads -- Looking for pthread_create in pthreads - not found -- Looking for pthread_create in pthread -- Looking for pthread_create in pthread - found -- Found Threads: TRUE -- A library with BLAS API found. -- A library with BLAS API found. -- Looking for cheev_ -- Looking for cheev_ - found -- A library with LAPACK API found. -- LAPACK DEBUG::LAPACK_LIBRARY = /usr/lib/liblapack.so;/usr/lib/libf77blas.so.3gf;/usr/lib/libatlas.so.3gf -- SQLite Library: not found -- Found FFTW: /usr/lib/libfftw3.so -- LPSolve Library: not found -- Found ZLIB: /usr/lib/x86_64-linux-gnu/libz.so -- Could NOT find SZIP (missing: SZIP_LIBRARIES SZIP_INCLUDE_DIRS) -- Found HDF5: debug;/usr/lib/libhdf5_hl.so;/usr/lib/libhdf5.so;/usr/lib/x86_64-linux-gnu/libpthread.so;/usr/lib/x86_64-linux-gnu/libz.so;/usr/lib/x86_64-linux-gnu/libm.so;optimized;/usr/lib/libhdf5_hl.so;/usr/lib/libhdf5.so;/usr/lib/x86_64-linux-gnu/libpthread.so;/usr/lib/x86_64-linux-gnu/libz.so;/usr/lib/x86_64-linux-gnu/libm.so -- HDF5: /usr/include debug;/usr/lib/libhdf5_hl.so;/usr/lib/libhdf5.so;/usr/lib/x86_64-linux-gnu/libpthread.so;/usr/lib/x86_64-linux-gnu/libz.so;/usr/lib/x86_64-linux-gnu/libm.so;optimized;/usr/lib/libhdf5_hl.so;/usr/lib/libhdf5.so;/usr/lib/x86_64-linux-gnu/libpthread.so;/usr/lib/x86_64-linux-gnu/libz.so;/usr/lib/x86_64-linux-gnu/libm.so HDF5_DLL-NOTFOUND;HDF5_HL_DLL-NOTFOUND -- Python interpreter /usr/bin/python -- Python interpreter ok : version 2.7.3 -- PYTHON_INCLUDE_DIRS = /usr/include/python2.7 -- PYTHON_NUMPY_INCLUDE_DIR = /usr/lib/python2.7/dist-packages/numpy/core/include -- PYTHON_SITE_PKG = /usr/lib/python2.7/dist-packages -- PYTHON_LIBRARY = /usr/lib/python2.7/config/libpython2.7.so -- PYTHON_EXTRA_LIBS =-lssl -lcrypto -lssl -lcrypto -L/usr/lib -lz -lpthread -ldl -lutil -- PYTHON_LINK_FOR_SHARED = -Xlinker -export-dynamic -Wl,-O1 -Wl,-Bsymbolic-functions -- Numpy include in /usr/lib/python2.7/dist-packages/numpy/core/include -- ALPS XML dir is /opt/alps/lib/xml -- HDF5: /usr/include debug;/usr/lib/libhdf5_hl.so;/usr/lib/libhdf5.so;/usr/lib/x86_64-linux-gnu/libpthread.so;/usr/lib/x86_64-linux-gnu/libz.so;/usr/lib/x86_64-linux-gnu/libm.so;optimized;/usr/lib/libhdf5_hl.so;/usr/lib/libhdf5.so;/usr/lib/x86_64-linux-gnu/libpthread.so;/usr/lib/x86_64-linux-gnu/libz.so;/usr/lib/x86_64-linux-gnu/libm.so HDF5_DLL-NOTFOUND;HDF5_HL_DLL-NOTFOUND;HDF5_DLL-NOTFOUND;HDF5_HL_DLL-NOTFOUND -- HDF5: /usr/include debug;/usr/lib/libhdf5_hl.so;/usr/lib/libhdf5.so;/usr/lib/x86_64-linux-gnu/libpthread.so;/usr/lib/x86_64-linux-gnu/libz.so;/usr/lib/x86_64-linux-gnu/libm.so;optimized;/usr/lib/libhdf5_hl.so;/usr/lib/libhdf5.so;/usr/lib/x86_64-linux-gnu/libpthread.so;/usr/lib/x86_64-linux-gnu/libz.so;/usr/lib/x86_64-linux-gnu/libm.so HDF5_DLL-NOTFOUND;HDF5_HL_DLL-NOTFOUND;HDF5_DLL-NOTFOUND;HDF5_HL_DLL-NOTFOUND -- tebd will not be built -- HDF5: /usr/include debug;/usr/lib/libhdf5_hl.so;/usr/lib/libhdf5.so;/usr/lib/x86_64-linux-gnu/libpthread.so;/usr/lib/x86_64-linux-gnu/libz.so;/usr/lib/x86_64-linux-gnu/libm.so;optimized;/usr/lib/libhdf5_hl.so;/usr/lib/libhdf5.so;/usr/lib/x86_64-linux-gnu/libpthread.so;/usr/lib/x86_64-linux-gnu/libz.so;/usr/lib/x86_64-linux-gnu/libm.so HDF5_DLL-NOTFOUND;HDF5_HL_DLL-NOTFOUND;HDF5_DLL-NOTFOUND;HDF5_HL_DLL-NOTFOUND -- Configuring incomplete, errors occurred! Does anyone know what is going on? Thank you all in advance. Kindest regards. -- Dr Emanuele Levi emanuele.levi(a)gmail.com

2 1

fulldiag_evaluate crashes
by Martin Hohenadler 28 Jan '14

28 Jan '14

Dear all, When running fulldiag_evaluate, I obtain 6 sectors Abort by signal 11 In /tmp/alps-2.2.b1-r7195-src-with-boost/alps/src/alps/ngs/lib/signal.cpp on 104 in segfault /opt/alps/lib/libalps.so.2(_ZN4alps3ngs6signal8segfaultEi+0x38) [0x7f57fbb725d8] /lib/x86_64-linux-gnu/libc.so.6(+0x364a0) [0x7f57f9a6a4a0] /opt/alps/bin/fulldiag_evaluate() [0x441650] /opt/alps/bin/fulldiag_evaluate() [0x44292e] /opt/alps/bin/fulldiag_evaluate(_ZNK14FullDiagMatrixIdE8evaluateERKN4alps10ParametersERKSs+0x1fba) [0x4b3cca] /opt/alps/bin/fulldiag_evaluate(main+0x270) [0x43c000] /lib/x86_64-linux-gnu/libc.so.6(__libc_start_main+0xed) [0x7f57f9a5576d] /opt/alps/bin/fulldiag_evaluate() [0x43c9d5] Aborted (core dumped) The output of fulldiag itself looks as expected. I am running ALPS 2.2.b1 on Ubuntu 12.04. Thanks for your help, Martin -- ==================================================== Dr Martin Hohenadler ---------------------------------------------------- Institute for Theoretical Physics and Astrophysics University of Würzburg Am Hubland, 97074 Würzburg ---------------------------------------------------- Tel: +49 (0)151 53506248 (mobile) ---------------------------------------------------- email: martin.hohenadler(a)physik.uni-wuerzburg.de web : www.physik.uni-wuerzburg.de/~hohenadler blog : painfulenglish.wordpress.com ====================================================

2 2

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

1 0

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

2 1

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

2 1

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