September 2016 - Comp-phys-alps-users

reduced density matrices eigenvalues
by Robertson Esperanza 03 Nov '16

03 Nov '16

Hello, Thank you for replying to my previous inquiries. For now, I'm looking at the von neumann entropy of some variation of the Hubbard Hamiltonian, and I'm using the mps_optim application. Since the von Neumann entropy can be calculated, will I be able to access the eigenvalues of the reduced density matrices? If yes, how can I do that? I would like to also do the same thing using the exact diagonalization, but there is no function, as far as I know, to calculate the non Neumann entropy. How can I access the eigenvalued of the reduced density matrices using the ALPS application for exact diagonalization? Regards, Robbie

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Re: [ALPS-users] Comp-phys-alps-users Digest, Vol 124, Issue 6
by Tadeusz Wasiutyński 28 Sep '16

28 Sep '16

Thank you Xiao Liang. Indeed compilation with gcc-5.4 goes smoothly while with 6.1 not. Now I have problems with openmpi: MPI_EXTRA_LIBRARY NOT FOUND Was this issue discussed earlier? Best regards Tadeusz 2016-07-25 12:00 GMT+02:00 <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. problem compiling alps-2.2.b4 (Tadeusz Wasiuty?ski) > 2. Re: problem compiling alps-2.2.b4 (??) > 3. question (Hocine Ahmed) > > > ---------------------------------------------------------------------- > > Message: 1 > Date: Sun, 24 Jul 2016 21:05:51 +0200 > From: Tadeusz Wasiuty?ski <tadeusz.wasiutynski(a)ifj.edu.pl> > To: comp-phys-alps-users(a)lists.phys.ethz.ch > Subject: [ALPS-users] problem compiling alps-2.2.b4 > Message-ID: > <CAKNmYXi5nOpvN=8QbBczCMe3q=smBH4cqYqby_Ww=XOp7EkwrQ@mail. > gmail.com> > Content-Type: text/plain; charset="utf-8" > > In the past I had no problems with compiling alps from source. Recently I > tried to compile it on Fedora 24 and failed. I noticed that the source does > not like boost 1.6 from Fedora, used native 1.58 from alps. Cmake result > looks good but make fails: > > cmake -D Boost_ROOT_DIR:PATH=~/alps-2.2.b4-src-with-boost/boost/ > -DCMAKE_INSTALL_PREFIX=$HOME/ALPS/ > LPSolve_LIBRARY=/usr/lib64/liblpsolve55.so -D > LPSolve_INCLUDE_DIR=/usr/include/lpsolve/ -D > HDF5_LIBRARIES=/usr/lib64/libhdf5.so -D HDF5_INCLUDE_DIR=/usr/include/ > ~/alps-2.2.b4-src-with-boost/alps/ > > -- Compiler version: c++ (GCC) 6.1.1 20160621 (Red Hat 6.1.1-3) > -- Build type: Release > -- Python interpreter /usr/bin/python > -- Python interpreter ok : version 2.7.12 > -- PYTHON_INCLUDE_DIRS = /usr/include/python2.7 > -- PYTHON_NUMPY_INCLUDE_DIR = > /usr/lib64/python2.7/site-packages/numpy/core/include > -- PYTHON_SITE_PKG = /usr/lib/python2.7/site-packages > -- PYTHON_LIBRARY = /usr/lib64/python2.7/config/libpython2.7.so > -- PYTHON_EXTRA_LIBS =-lpthread -ldl -lutil > -- PYTHON_LINK_FOR_SHARED = -Xlinker -export-dynamic > -- ALPS version: 2.2.b4 > -- Looking for Boost Source > -- Found Boost Source: /home/tadeusz/alps-2.2.b4-src-with-boost/boost > -- Boost Version: 1_58_0 > -- Adding Boost dir: /home/tadeusz/alps-2.2.b4-src-with-boost/boost > -- 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 > -- Falling back to CMake provied LAPACK/BLAS detection. > -- A library with BLAS API found. > -- A library with BLAS API found. > -- A library with LAPACK API found. > -- Could NOT find SZIP (missing: SZIP_LIBRARIES SZIP_INCLUDE_DIRS) > -- Python interpreter /usr/bin/python > -- Python interpreter ok : version 2.7.12 > -- PYTHON_INCLUDE_DIRS = /usr/include/python2.7 > -- PYTHON_NUMPY_INCLUDE_DIR = > /usr/lib64/python2.7/site-packages/numpy/core/include > -- PYTHON_SITE_PKG = /usr/lib/python2.7/site-packages > -- PYTHON_LIBRARY = /usr/lib64/python2.7/config/libpython2.7.so > -- PYTHON_EXTRA_LIBS =-lpthread -ldl -lutil > -- PYTHON_LINK_FOR_SHARED = -Xlinker -export-dynamic > -- Numpy include in /usr/lib64/python2.7/site-packages/numpy/core/include > -- ALPS XML dir is /home/tadeusz/ALPS/lib/xml > -- MPS: enabling NU1 symmetry. > -- tebd will not be built > -- Configuring done > -- Generating done > -- Build files have been written to: /home/tadeusz/build > > > ?make result: > ?[ 65%] Building CXX object > applications/dmrg/dmrg/CMakeFiles/dmrg.dir/dmrg.C.o > In file included from /usr/include/python2.7/pyconfig.h:6:0, > from > /home/tadeusz/alps-2.2.b4-src-with-boost/boost/boost/python/ > detail/wrap_python.hpp:50, > from > /home/tadeusz/alps-2.2.b4-src-with-boost/boost/boost/python/ > detail/prefix.hpp:13, > from > /home/tadeusz/alps-2.2.b4-src-with-boost/boost/boost/python/args.hpp:8, > from > /home/tadeusz/alps-2.2.b4-src-with-boost/boost/boost/python.hpp:11, > from > /home/tadeusz/alps-2.2.b4-src-with-boost/alps/src/alps/alea/mcdata.hpp:79, > from > /home/tadeusz/alps-2.2.b4-src-with-boost/alps/src/alps/alea.h:34, > from > /home/tadeusz/alps-2.2.b4-src-with-boost/alps/src/alps/alea/ > observableset.h:49, > from > /home/tadeusz/alps-2.2.b4-src-with-boost/alps/src/alps/ > scheduler/montecarlo.h:40, > from > /home/tadeusz/alps-2.2.b4-src-with-boost/alps/src/alps/scheduler.h:31, > from > /home/tadeusz/alps-2.2.b4-src-with-boost/alps/applications/ > dmrg/dmrg/dmrg.C:31: > /usr/include/python2.7/pyconfig-64.h:1202:0: warning: "_POSIX_C_SOURCE" > redefined > #define _POSIX_C_SOURCE 200112L > --------------------------------------------- > In file included from /usr/include/c++/6.1.1/memory:81:0, > from > /home/tadeusz/alps-2.2.b4-src-with-boost/boost/boost/smart_ > ptr/scoped_ptr.hpp:21, > from > /home/tadeusz/alps-2.2.b4-src-with-boost/boost/boost/scoped_ptr.hpp:14, > from > /home/tadeusz/alps-2.2.b4-src-with-boost/boost/boost/smart_ptr.hpp:19, > from > /home/tadeusz/alps-2.2.b4-src-with-boost/alps/src/alps/osiris/dump.h:38, > from > /home/tadeusz/alps-2.2.b4-src-with-boost/alps/src/alps/ > scheduler/info.h:38, > from > /home/tadeusz/alps-2.2.b4-src-with-boost/alps/src/alps/ > scheduler/worker.h:35, > from > /home/tadeusz/alps-2.2.b4-src-with-boost/alps/src/alps/ > scheduler/task.h:41, > from > /home/tadeusz/alps-2.2.b4-src-with-boost/alps/src/alps/ > scheduler/factory.h:34, > from > /home/tadeusz/alps-2.2.b4-src-with-boost/alps/applications/ > dmrg/dmrg/factory.h:31, > from > /home/tadeusz/alps-2.2.b4-src-with-boost/alps/applications/ > dmrg/dmrg/factory.C:30: > /usr/include/c++/6.1.1/bits/unique_ptr.h:49:28: note: declared here > template<typename> class auto_ptr; > ^~~~~~~~ > applications/dmrg/dmrg/CMakeFiles/dmrg.dir/build.make:86: for > 'applications/dmrg/dmrg/CMakeFiles/dmrg.dir/factory.C.o' failed > make[2]: *** [applications/dmrg/dmrg/CMakeFiles/dmrg.dir/factory.C.o] > error > 1 > CMakeFiles/Makefile2:6096: polecenia dla obiektu > 'applications/dmrg/dmrg/CMakeFiles/dmrg.dir/all' failed > make[1]: *** [applications/dmrg/dmrg/CMakeFiles/dmrg.dir/all] error 2 > Makefile:160: polecenia dla obiektu 'all' failed > make: *** [all] error 2 > > ?Any suggestions? > Regards? > > -- > Tadeusz Wasiuty?ski >

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SxSx Correlation function in DMRG - MPS
by Natanael de Carvalho Costa 05 Sep '16

05 Sep '16

Dear All, I'm using ALPS DMRG (MPS) to study the magnetism of XY model in a frustrated chain. In order to obtain the Sx correlation functions, I add the following command line: MEASURE_CORRELATIONS[Sx_correlation]= Sx I expected that the output file presented me all <Sx(i) Sx(j)> correlation functions. However, there were only this line in the output file. <SCALAR_AVERAGE name="Sx_correlation"><MEAN>6.7066684180584175e-317</MEAN></SCALAR_AVERAGE> Even when I chose to program make only specifics calculations, such as MEASURE_LOCAL_AT[SxSx_corr] = "Sx:Sx|(0,1),(0,2),(0,3),(0,4)" the answer I obtained was zero, no matter of the choice of the external parameters, as showed below. <VECTOR_AVERAGE name="SxSx_corr"> <SCALAR_AVERAGE indexvalue="( 0 ) -- ( 0 )"><MEAN>0</MEAN></SCALAR_AVERAGE> <SCALAR_AVERAGE indexvalue="( 0 ) -- ( 0 )"><MEAN>0</MEAN></SCALAR_AVERAGE> <SCALAR_AVERAGE indexvalue="( 0 ) -- ( 1 )"><MEAN>0</MEAN></SCALAR_AVERAGE> <SCALAR_AVERAGE indexvalue="( 0 ) -- ( 1 )"><MEAN>0</MEAN></SCALAR_AVERAGE> </VECTOR_AVERAGE> *(the index are not the same in the input and output file because I'm working with a unit cell with 3 sites.) Owing to these not good results, I did a test, and then I measured the correlation functions <Splus(i) Splus(j)>, <Splus(i) Sminus(j)> and <Sminus(i) Sminus(j)>, as showed below MEASURE_LOCAL_AT[SxSx_corr1] = "Splus:Splus|(3,18)" MEASURE_LOCAL_AT[SxSx_corr2] = "Splus:Sminus|(3,18)" MEASURE_LOCAL_AT[SxSx_corr3] = "Sminus:Splus|(3,18)" MEASURE_LOCAL_AT[SxSx_corr4] = "Sminus:Sminus|(3,18)" and I obtained <VECTOR_AVERAGE name="SxSx_corr1"> <SCALAR_AVERAGE indexvalue="( 1 ) -- ( 6 )"><MEAN>-0.1565028679350004</MEAN></SCALAR_AVERAGE> </VECTOR_AVERAGE> <VECTOR_AVERAGE name="SxSx_corr2"> <SCALAR_AVERAGE indexvalue="( 1 ) -- ( 6 )"><MEAN>-0.15912792472820933</MEAN></SCALAR_AVERAGE> </VECTOR_AVERAGE> <VECTOR_AVERAGE name="SxSx_corr3"> <SCALAR_AVERAGE indexvalue="( 1 ) -- ( 6 )"><MEAN>-0.15912792472820814</MEAN></SCALAR_AVERAGE> </VECTOR_AVERAGE> <VECTOR_AVERAGE name="SxSx_corr4"> <SCALAR_AVERAGE indexvalue="( 1 ) -- ( 6 )"><MEAN>-0.15650286793499901</MEAN></SCALAR_AVERAGE> </VECTOR_AVERAGE> which means that <SxSx>'s are really nonzero. Actually, these last results are in good agreement with exact diagonalization for a small chain. (Before you asked me, I correctly defined the onsite operator Sx in the model library.) Then, probably it could be a bug when the program is summing the terms of SxSx correlations. I really thank you for this great program. Regards, Natanael C. Costa

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