Comp-phys-alps-users

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1248 discussions

Error loading pyalps module in Python
by Niraj Ghimire 26 Feb '14

26 Feb '14

Dear ALPS users, I have been trying to run ALPS applications from Python 2.7 on Windows 7 OS. I installed the binary packages alps-2.2.b1-win32.exe and alps-vistrails-2.2.b1-win32.exe. Still when I try to run any ALPS project, I keep getting the error message "No module named pyalps." I don't understand why python is not able to import this module at all, and I also don't have any idea where this module is located. I would really appreciate any help whatsoever. Thanks in advance. Regards, Niraj Ghimire Graduate Student Department of Physics University of Connecticut

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multiple sites interactions
by Hector Diego Rosales 26 Feb '14

26 Feb '14

Dear ALPS users, I have two questions related with the DMRG method: (i) Does anybody know whether three and four body interactions terms can be readily implemented in the DMRG code ? If so, (ii) is that algorithm suitable for such type of couplings ? Thanks in advance -- Dr. Héctor Diego Rosales CONICET IFLP - Dto. de Física UNLP, Casilla de Correos 67 Calle 49 y 115 s/n, 1900 La Plata, Argentina Tel +54 221 4246062 Fax +54 221 4236335 e-Mail: rosales(a)fisica.unlp.edu.ar

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Error message in RunDMFT module: DMFT-04 Vistrails tutorial on ALPS
by Varma Vipin Kerala 20 Feb '14

20 Feb '14

Dear ALPS users, I am trying to execute the DMFT-Tutorial-04 (and DMFT-Tutorial-05) vistrails file, downloaded from the ALPS webpage, using ALPS 2.2b1 on Windows. However while running the workflow the below error is encountered at the RunDMFT module: =================================================== Cached: No Completed: No Error: Execution failed Annotations: errorTrace: Traceback (most recent call last): File "vistrails\run.py", line 47, in <module> userpackages_dir = os.environ['VISTRAILS_USERPACKAGES_DIR'] File "C:\Program Files\VisTrails\Python27\lib\os.py", line 423, in __getitem__ return self.data[key.upper()] KeyError: 'VISTRAILS_USERPACKAGES_DIR' ==================================================== >From the message it looks like there's a problem with my environment settings of Vistrails, but other vistrails files downloaded from the ALPS webpage work fine. Any ideas on what might I might be doing wrong are appreciated. Thanks, Vipin

1 0

Failure of processing data by using pyalps
by Shinya Yasuda 19 Feb '14

19 Feb '14

Dear ALPS developers and users, At revision 7349, collectXY() defined in tools.py has been changed. After this change, I can't extract my observable properly from .h5 files. I use a parameter named "beta" and an observable also named "beta". collectXY(sets, x="foo", y="beta")(a)rev.7349 collects both parameters and observables, and makes single list contains both FloatWithError objects (observables) and float literals (parameters). Before this modification, e.g. rev. 7298, collectXY() makes a list that contains only observables. This results in the failure of processing my data. It is very painful to modify many python scripts using collectXY(), so I temporally use the old version of tools.py(a)rev.7298 (of course this is not desirable.) Is there any good idea?? Thank you in advance. Shinya Yasuda route16(a)exa.phys.s.u-tokyo.ac.jp

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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 > >

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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

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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

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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 ====================================================

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Comp-phys-alps-users