Comp-phys-alps-users June 2015

comp-phys-alps-users@lists.phys.ethz.ch

12 participants
17 discussions

Inconsistent comment in generate_spline_matrix in the DMFT folder
by Kuangshing Chen 22 Jul '15

22 Jul '15

Hi, The function generate_spline_matrix in fouriertransform.C in the dmft folder shows the comments as follows: // A is the matrix whose inverse defines spline_matrix // // 6 6 // 1 4 1 // 1 4 1 // A = ... // // 1 4 1 // -2 0 0 2 However, the following codes, dense_matrix A = 4*dt/6.*boost::numeric::ublas::identity_matrix<double>(Np1); for (int i=1; i<Np1-1; i++) { A(i,i-1) = dt/6.; A(i,i+1) = dt/6.; } A(0,0) = 1.; A(0, Np1-1) = 1.; A(Np1-1, 0) = -2.*dt/6.; A(Np1-1, 1) = -1.*dt/6.; A(Np1-1, Np1-2) = 1*dt/6.; A(Np1-1, Np1-1) = 2*dt/6.; the red lines will make the matrix looks like // 6 6 // 1 4 1 // 1 4 1 // A = ... // // 1 4 1 // -2 *-1* *1* 2 Is the comment correct or the code correct? Any reference for this algorithm? Thank you, Kuang-Shing Chen

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Acquiring data to susceptibility for Ising`s Model
by Felipe da Cruz Rodrigues 17 Jul '15

17 Jul '15

Hello all. Someone know how can I to acquire the data for susceptibility in Ising's Model (ex: tutorial 7)? p.s.: I don't want the generated graphic for the susceptibility in vistrails, but only the data. Thanks a lot! -- Felipe da Cruz Rodrigues Mestrando em Física pela Universidade Federal de Lavras Graduado em Física (Licenciatura) - UFLA

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how to call "COORDINATE" parameter in models.xml
by Cathy Wu 29 Jun '15

29 Jun '15

Dear everyone, Does anyone know how to use the "coordinate " parameter in the models.xml file. I am trying to defining a quasi-periodic potential. But the "sparsediag" function does not recognize site "i". best regards!

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TEBD: imaginary parts in <adag a>
by Deepak Iyer 27 Jun '15

27 Jun '15

Hello It seems like the TEBD code produces a symmetrized <adag a> without the imaginary parts? Is there a way I can get the imaginary parts? I want to calculate transient currents and momentum distributions. Thanks! Deepak

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Re: [ALPS-users] How to enable the Z2 symmetry in ALPS_MPS?
by Michele Dolfi 26 Jun '15

26 Jun '15

1. No, it is not possible to use two different symmetry groups at the same time. 2. The model is actually coded as a spinless fermions model. In that definition the number P will be something like the particle number. The DMRG framework with Z2 symmetry will then just look if the number is even or odd. Michele -- ETH Zurich Michele Dolfi Institute for Theoretical Physics HIT G 32.4 Wolfgang-Pauli-Str. 27 8093 Zurich Switzerland dolfim(a)phys.ethz.ch www.itp.phys.ethz.ch +41 44 633 78 56 phone +41 44 633 11 15 fax > On Jun 26, 2015, at 6:46 AM, Chun Chen <chen2698(a)umn.edu> wrote: > > Hi Michele: > > Sorry, I really should post my question onto the mailing list. It is just convenient to send an email. I promise that I will post my questions into the mailing list in the future. > > Thanks very much for your prompt reply. Yes, it would be very useful if you could describe in some detail how to enable and how to use these symmetries somewhere else. > > Many thanks for your instruction. It is the semicolon... Now, It works!!! > > When I look into the code for Kitaev model, I notice two questions: > > 1. Would it be possible to impose two symmetries in one code (namely in one parameter file, could I define one conserved quantum number which obeying NU1 symmetry, while at the same time define another differing conserved quantum number which satisfying the Z2 symmetry)? > > 2. In your supplemental "Kitaev.py" code and the "tsc.xml" file, why the value of operator "P" gets changed by "+1" for annihilation operator "c", while the value of "P" gets reduced by "-1" for creation operator "c^{\dagger}"? It seems to me that under Z2 symmetry, the operator "P" is just the number operator for the spinless fermions. > > Thanks again for your patience and great help. Have a nice weekend. See you next time in the mailing list. > > With Best Regards, > > Chun Chen > > On Wed, Jun 24, 2015 at 2:58 AM, Michele Dolfi <dolfim(a)phys.ethz.ch <mailto:dolfim@phys.ethz.ch>> wrote: > Hi Chun, > > Let me reply to the mailing list such that others might also profit form it. > > Basically you were very close, in CMake you can set a list of entries by separating them with a semicolon. > DMRG_BUILD_SYMMETRIES:STRING="NU1;Z2" > > Note that the option can also be changed with the ccmake gui instead of tuning the CMakeCache file. > > > Best regards, > Michele > > -- > ETH Zurich > Michele Dolfi > Institute for Theoretical Physics > HIT G 32.4 > Wolfgang-Pauli-Str. 27 > 8093 Zurich > Switzerland > > dolfim(a)phys.ethz.ch <mailto:dolfim@phys.ethz.ch> > www.itp.phys.ethz.ch <http://www.itp.phys.ethz.ch/> > > +41 44 633 78 56 <tel:%2B41%2044%20633%2078%2056> phone > +41 44 633 11 15 <tel:%2B41%2044%20633%2011%2015> fax > > > > > >> On Jun 24, 2015, at 7:07 AM, Chun Chen <chen2698(a)umn.edu <mailto:chen2698@umn.edu>> wrote: >> >> Dear Michele: >> >> I am studying the supplemental codes of Kitaev model in your recent paper "Matrix product state applications for the ALPS project". >> >> However, I can only find the brief description on how to enable the Z2 symmetry. In the Appendix of your paper, you mentioned that the Z2 symmetry can be enabled at compile-time using the CMake option DMRG_BUILD_SYMMETRIES. >> >> I tried to implement your instruction by doing the following steps (I have gotten the latest version of ALPS package by executing $ svn co https://alps.comp-phys.org/svn/alps1/trunk/alps <https://alps.comp-phys.org/svn/alps1/trunk/alps>): >> >> 1. First I finish the steps up to "# Compile and install": >> >> # Configuration >> $ cd build >> $ cmake ../alps >> >> 2. Then I cd into the file "build"; >> Find and open "CMakeCache.txt"; >> Find the following CMake option: >> >> //List of symmetry to include in the build objects. U1, TwoU1, >> // NU1, Z2 and NONE are currently available. >> DMRG_BUILD_SYMMETRIES:STRING=NU1 >> >> 3. Change it to the following: >> >> //List of symmetry to include in the build objects. U1, TwoU1, >> // NU1, Z2 and NONE are currently available. >> DMRG_BUILD_SYMMETRIES:STRING=NU1 >> DMRG_BUILD_SYMMETRIES:STRING=Z2 >> >> Then save the "CMakeCache.txt" file. >> >> 4. Next I go ahead to finish the "# Compile and install" by executing the following: >> >> # Compile and install >> $ make # -j 4 for compilation in parallel using 4 processes >> $ sudo make install >> >> However, once I successfully install the ALPS_MPS, I find that even though I can successfully employ the Z2 symmetry, the original NU1 symmetry gets disabled. >> >> My question is how to keep both the Z2 and the NU1 symmetries during the installation? >> >> Also, would it be possible to give some more details on how to enable various existing symmetries? >> >> Thanks very much for your suggestions. Have a good day. >> >> Best, >> >> Chun Chen >> > >

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Re: [ALPS-users] How to enable the Z2 symmetry in ALPS_MPS?
by Michele Dolfi 24 Jun '15

24 Jun '15

Hi Chun, Let me reply to the mailing list such that others might also profit form it. Basically you were very close, in CMake you can set a list of entries by separating them with a semicolon. DMRG_BUILD_SYMMETRIES:STRING="NU1;Z2" Note that the option can also be changed with the ccmake gui instead of tuning the CMakeCache file. Best regards, Michele -- ETH Zurich Michele Dolfi Institute for Theoretical Physics HIT G 32.4 Wolfgang-Pauli-Str. 27 8093 Zurich Switzerland dolfim(a)phys.ethz.ch www.itp.phys.ethz.ch +41 44 633 78 56 phone +41 44 633 11 15 fax > On Jun 24, 2015, at 7:07 AM, Chun Chen <chen2698(a)umn.edu> wrote: > > Dear Michele: > > I am studying the supplemental codes of Kitaev model in your recent paper "Matrix product state applications for the ALPS project". > > However, I can only find the brief description on how to enable the Z2 symmetry. In the Appendix of your paper, you mentioned that the Z2 symmetry can be enabled at compile-time using the CMake option DMRG_BUILD_SYMMETRIES. > > I tried to implement your instruction by doing the following steps (I have gotten the latest version of ALPS package by executing $ svn co https://alps.comp-phys.org/svn/alps1/trunk/alps <https://alps.comp-phys.org/svn/alps1/trunk/alps>): > > 1. First I finish the steps up to "# Compile and install": > > # Configuration > $ cd build > $ cmake ../alps > > 2. Then I cd into the file "build"; > Find and open "CMakeCache.txt"; > Find the following CMake option: > > //List of symmetry to include in the build objects. U1, TwoU1, > // NU1, Z2 and NONE are currently available. > DMRG_BUILD_SYMMETRIES:STRING=NU1 > > 3. Change it to the following: > > //List of symmetry to include in the build objects. U1, TwoU1, > // NU1, Z2 and NONE are currently available. > DMRG_BUILD_SYMMETRIES:STRING=NU1 > DMRG_BUILD_SYMMETRIES:STRING=Z2 > > Then save the "CMakeCache.txt" file. > > 4. Next I go ahead to finish the "# Compile and install" by executing the following: > > # Compile and install > $ make # -j 4 for compilation in parallel using 4 processes > $ sudo make install > > However, once I successfully install the ALPS_MPS, I find that even though I can successfully employ the Z2 symmetry, the original NU1 symmetry gets disabled. > > My question is how to keep both the Z2 and the NU1 symmetries during the installation? > > Also, would it be possible to give some more details on how to enable various existing symmetries? > > Thanks very much for your suggestions. Have a good day. > > Best, > > Chun Chen >

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Cannot compile an ALPS application on Mac
by Leo Fang 22 Jun '15

22 Jun '15

Hello all, It's me again...I have the binary packages of alps 2.2.0b3, vistrails 2.1.2 and alps-vistrails-2.2.0b3 installed on Mac OS X 10.10.3, and I've tested them. Now I imported the source code of the "hybridization" application to Xcode as a stand-alone project and took care of the paths of included header files. However, when compiling almost finished, Xcode returned a bunch of "Apple Mach-O Linker Error", saying, for example, Undefined symbols for architecture x86_64: "_MPI_Abort", referenced from: MPI::Comm::Abort(int) in hybevaluate.o MPI::Comm::Abort(int) in hybretintfun.o MPI::Comm::Abort(int) in hybint.o MPI::Comm::Abort(int) in hybmatrix_ft.o MPI::Comm::Abort(int) in hybupdates.o MPI::Comm::Abort(int) in hybmain.o MPI::Comm::Abort(int) in hybfun.o and a lot of similar errors have to do with the MPI functions and other ALPS functions such as hdf5, ngs, etc. It seems the compiler can correctly find where the dylib files are, and so I am not sure what else can be wrong...I hope this question is less dumber than my previous one... Thanks. Sincerely, Leo (Fang Yao-Lung) Duke Physics

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19 Jun '15

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19 Jun '15

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Missing MPI and libraries after configuring ALPS 2.1.1
by pradeep thakur 19 Jun '15

19 Jun '15

Dear ALPS-users and Developers, I executed the command for configuration of ALPS on my machine (Xubuntu 12.04.5 LTS with 12 hyperthreaded cores) and the screen shows that configuration is complete. But there are certain things missing (MPI, pthread, SZIP, SQLite and numerous HDF5 libraries) and a note, saying "tebd will not be built". Details given below: emmy@emmy:~/alps/build$ sudo cmake -D Boost_ROOT_DIR:PATH=/home/emmy/alps/alps-2.1.1-r6176-src-with-boost/boost/ /home/emmy/alps/alps-2.1.1-r6176-src-with-boost/alps/ [sudo] password for emmy: -- 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: 2.1.1 -- Looking for Boost Source -- Found Boost Source: /home/emmy/alps/alps-2.1.1-r6176-src-with-boost/boost -- Boost Version: 1_49_0 -- Could NOT find MPI_C (missing: MPI_C_LIBRARIES MPI_C_INCLUDE_PATH) -- Could NOT find MPI_CXX (missing: MPI_CXX_LIBRARIES MPI_CXX_INCLUDE_PATH) -- MPI compiler was -- The Fortran compiler identification is GNU -- Check for working Fortran compiler: /usr/bin/gfortran -- Check for working Fortran compiler: /usr/bin/gfortran -- works -- Detecting Fortran compiler ABI info -- Detecting Fortran compiler ABI info - done -- Checking whether /usr/bin/gfortran supports Fortran 90 -- Checking whether /usr/bin/gfortran supports Fortran 90 -- yes Falling back to CMake provied LAPACK/BLAS detection. -- Looking for Fortran sgemm -- Looking for Fortran sgemm - 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 Fortran cheev -- Looking for Fortran cheev - found -- A library with LAPACK API found. -- 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;optimized;/usr/lib/libhdf5_hl.so;/usr/lib/libhdf5.so -- HDF5: /usr/include debug;/usr/lib/libhdf5_hl.so;/usr/lib/libhdf5.so;optimized;/usr/lib/libhdf5_hl.so;/usr/lib/libhdf5.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 -- Adding Boost dir: /home/emmy/alps/alps-2.1.1-r6176-src-with-boost/boost -- HDF5: /usr/include debug;/usr/lib/libhdf5_hl.so;/usr/lib/libhdf5.so;optimized;/usr/lib/libhdf5_hl.so;/usr/lib/libhdf5.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;optimized;/usr/lib/libhdf5_hl.so;/usr/lib/libhdf5.so HDF5_DLL-NOTFOUND;HDF5_HL_DLL-NOTFOUND;HDF5_DLL-NOTFOUND;HDF5_HL_DLL-NOTFOUND -- tebd will not be built -- Configuring done -- Generating done -- Build files have been written to: /home/emmy/alps/build In the instructions on the webpage, it has not been mentioned that MPI needs to be installed separately while installing ALPS on an Ubuntu machine (though it has been mentioned in the section for MacOS X). I need the application to run parallely on the multiple cores available on my machine. Please advise me on this issue and on the missing pthread, SZIP, SQLite and HDF5 libraries. Regards, Pradeep.

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Comp-phys-alps-users June 2015