July 2012 - Comp-phys-alps-users

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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ALPS 2.0.1 released
by Matthias Troyer 19 Sep '12

19 Sep '12

Dear ALPS users, ALPS 2.0.1 has been released. This is the version included with the ALPS paper: B. Bauer et al., J. Stat. Mech. (2011) P05001, which is available at : http://www.iop.org/EJ/abstract/1742-5468/2011/05/P05001 .Besides references to this paper, this release contains many minor bug fixes. The MacOS X 10.5 binary release will be uploaded shortly. The others are ready for download. Best regards Matthias Troyer

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Question
by Majid Abedi 30 Jul '12

30 Jul '12

Hi I run the script '$ alpspython build_lattice.py 32 > my_lattice.xml'. The coordinate for site "1" is "0". Other sites are different. For example site "2" have coordination "2". Am I making a mistake or is there a reason behind that? Sincerely Majid Abedi Student of 7-year PhD Course Institute for Advanced Studies in Basic Sciences (IASBS) Gavazang road Zanjan, Iran P.O.Box: 45195 - 1159 Tel: +98-241-415-2023 (IASBS) Fax: +98-241-415-2104 W: www.iasbs.ac.ir~abedi

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entanglement entropy in DMRG
by Emanuele Levi 26 Jul '12

26 Jul '12

Hi all, I am using the DMRG application to get some results on the Heisenberg quantum spin chain. First of all I want to apologize in advance for any silly question I might write in the following (I am quite new to this kind of simulations). Is there any easy way of changing the position of the additional sites and the dimension of the environment block? I would like to use periodic boundary conditions, and try something like |system| - |1| - |environment| - |1|. As far as I understand the algorithm evaluate the entropy of the density matrix of system+site obtained tracing out environment+site. I consider the last sweeps as the left part grows in spite of the right one and vice versa, and I plot the entropy against the "system+1" length. Is that final-sweep-one a good estimate of the behaviour of entanglement entropy of a "system+1"-long bit of chain against the environment? -- Emanuele Levi emanuele.levi(a)gmail.com

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НА: [ALPS-USERS] error in convert.cpp
by konefvitbka53＠gmail.com 25 Jul '12

25 Jul '12

Thanks ----- Reply message ----- От: "Matthias Troyer" <troyer(a)phys.ethz.ch> Кому: <comp-phys-alps-users(a)lists.phys.ethz.ch> Тема: [ALPS-users] [ALPS-USERS] error in convert.cpp Дата: чт, июл 26, 2012 00:10 On Jul 25, 2012, at 12:08 PM, vitbka konef wrote: > I do > cmake ./alps/src/alps/CMakeLists.txt > make -f ./alps/src/alps/Makefile > > Please read the instructions on how to build ALPS on https://alps.comp-phys.org/mediawiki/index.php/Building_ALPS_from_source#Bu… Best regards Matthias Troyer > 25.07.2012 23:49 пользователь "Matthias Troyer" <troyer(a)phys.ethz.ch> написал: > Please tell us what are you trying to do. > > On Jul 25, 2012, at 10:50 AM, konefvitbka53(a)gmail.com wrote: > > > Dear all > > I can't build ./alps/src/alps. > > In file convert.cpp line 48, error : expected constructor ,destructor or type conversion before 'std' and 'short' > > Thanks. > > >

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[ALPS-USERS] error in convert.cpp
by konefvitbka53＠gmail.com 25 Jul '12

25 Jul '12

Dear all I can't build ./alps/src/alps. In file convert.cpp line 48, error : expected constructor ,destructor or type conversion before 'std' and 'short' Thanks.

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tebd gs calculation
by Mateusz Łącki 25 Jul '12

25 Jul '12

Dear All, I would like to ask about calculating GS energy in the tebd code. I want to set up a simple BH model (for example L=20 sites, N=20 particles, J=0.1, U=1) and to get energy for that case. I have done the following. I modified tutorial1a.py file to be: ****************************** tutorial1a.py ************************************************************************** parms=[] count=0 for u in range(1): count+=1 parms.append({ 'L' : 10, 'MODEL' : 'boson Hubbard', 'CONSERVED_QUANTUMNUMBERS' : 'N', 'N' : 10, 't' : 0.1, 'U' : 1.0, 'Nmax' : 5, 'ITP_CHIS' : [40 for x in range(7)], 'ITP_DTS' : [0.1, 0.05,0.025,0.0125,0.00625,0.003125,0.0015625], 'ITP_CONVS' : [1E-8 for x in range(7)], 'INITIAL_STATE' : 'ground', 'CHI_LIMIT' : 40, 'TRUNC_LIMIT' : 1E-12, 'NUM_THREADS' : 7, 'NUMSTEPS' : [0 for x in range(7)], 'SIMID' : count }) baseName='tutorial_1a' #write output files nmlnameList=pyalps.writeTEBDfiles(parms, baseName) #run the application res=pyalps.runTEBD(nmlnameList) LEdata=pyalps.load.loadTimeEvolution(pyalps.getResultFiles(prefix='tutorial_1a'), measurements=['Energy']) print LEdata ******************************************************************************************************** I was planning to do something more sophisticated with LEdata further, but I got stuck at: ****************************************** console output ************************************************************* tebd tutorial_1a1.nml Time-Evolving Block Decimation Program available from http://alps.comp-phys.org/ copyright(c) 2010 by Michael L. Wall <mwall(a)mines.edu> Lincoln D. Carr <lcarr(a)mines.edu> For details see the publication: B. Bauer et al., J. Stat. Mech. (2011) P05001. Based on the ALPS libraries version 2.0 available from http://alps.comp-phys.org/ copyright (c) 1994-2011 by the ALPS collaboration. Consult the web page for license details. For details see the publications: A.F. Albuquerque et al., J. of Magn. and Magn. Materials 310, 1187 (2007). B. Bauer et al., J. Stat. Mech. (2011) P05001. At line 184 of file /users/champ/lacki/al/alps202-gcc44/alps-2.0.2-r5790-src-with-boost/alps/applications/dmrg/tebd/tebd.f90 (unit = 138, file = 'tutorial_1a1.nml') Fortran runtime error: End of file Error in /users/champ/lacki/al/alps202-gcc44/alps-2.0.2-r5790-src-with-boost/alps/src/alps/ngs/lib/hdf5.cpp on 484 in list_children: The group '/timesteps/' does not exists. stack trace: /users/champ/lacki/alps202-gcc446mpiok/lib/libalps.so.2(_ZNK4alps4hdf57archive13list_childrenESs+0x7c6) [0x7f43c4d58776] /users/champ/lacki/alps202-gcc446mpiok/lib/pyalps/pyhdf5_c.so(_ZN4alps6python4hdf513list_childrenERNS_4hdf57archiveERKSs+0x44) [0x7f43c5279734] /users/champ/lacki/alps202-gcc446mpiok/lib/pyalps/pyhdf5_c.so(_ZN5boost6python7objects23caller_py_function_implINS0_6detail6callerIPFNS0_4listERN4alps4hdf57archiveERKSsENS0_21default_call_policiesENS_3mpl7vector3IS5_S9_SB_EEEEEclEP7_objectSL_+0xa8) [0x7f43c5282448] /users/champ/lacki/alps202-gcc446mpiok/lib/libboost.so(_ZNK5boost6python7objects8function4callEP7_objectS4_+0x28e) [0x7f43c482560e] /users/champ/lacki/alps202-gcc446mpiok/lib/libboost.so(+0x2278b8) [0x7f43c48258b8] /users/champ/lacki/alps202-gcc446mpiok/lib/libboost.so(_ZN5boost6python21handle_exception_implENS_9function0IvEE+0x5b) [0x7f43c480ce3b] /users/champ/lacki/alps202-gcc446mpiok/lib/libboost.so(+0x2241c8) [0x7f43c48221c8] /usr/lib64/libpython2.7.so.1.0(PyObject_Call+0x53) [0x35ed248fe3] /usr/lib64/libpython2.7.so.1.0(PyEval_EvalFrameEx+0x3b73) [0x35ed2de0a3] /usr/lib64/libpython2.7.so.1.0(PyEval_EvalCodeEx+0x855) [0x35ed2e1125] /usr/lib64/libpython2.7.so.1.0(PyEval_EvalFrameEx+0x5556) [0x35ed2dfa86] /usr/lib64/libpython2.7.so.1.0(PyEval_EvalCodeEx+0x855) [0x35ed2e1125] /usr/lib64/libpython2.7.so.1.0(PyEval_EvalCode+0x32) [0x35ed2e1252] /usr/lib64/libpython2.7.so.1.0() [0x35ed2fb3ac] /usr/lib64/libpython2.7.so.1.0(PyRun_FileExFlags+0x90) [0x35ed2fc1e0] /usr/lib64/libpython2.7.so.1.0(PyRun_SimpleFileExFlags+0xdf) [0x35ed2fcc5f] /usr/lib64/libpython2.7.so.1.0(Py_Main+0xb85) [0x35ed30e285] /lib64/libc.so.6(__libc_start_main+0xed) [0x35d182135d] python() [0x400651] Traceback (most recent call last): File "/users/champ/lacki/alps202-gcc446mpiok/lib/pyalps/load.py", line 636, in loadTimeEvolution L=h5file.list_children(resroot) RuntimeError: Error in /users/champ/lacki/al/alps202-gcc44/alps-2.0.2-r5790-src-with-boost/alps/src/alps/ngs/lib/hdf5.cpp on 484 in list_children: The group '/timesteps/' does not exists. stack trace: /users/champ/lacki/alps202-gcc446mpiok/lib/libalps.so.2(_ZNK4alps4hdf57archive13list_childrenESs+0x7c6) [0x7f43c4d58776] /users/champ/lacki/alps202-gcc446mpiok/lib/pyalps/pyhdf5_c.so(_ZN4alps6python4hdf513list_childrenERNS_4hdf57archiveERKSs+0x44) [0x7f43c5279734] /users/champ/lacki/alps202-gcc446mpiok/lib/pyalps/pyhdf5_c.so(_ZN5boost6python7objects23caller_py_function_implINS0_6detail6callerIPFNS0_4listERN4alps4hdf57archiveERKSsENS0_21default_call_policiesENS_3mpl7vector3IS5_S9_SB_EEEEEclEP7_objectSL_+0xa8) [0x7f43c5282448] /users/champ/lacki/alps202-gcc446mpiok/lib/libboost.so(_ZNK5boost6python7objects8function4callEP7_objectS4_+0x28e) [0x7f43c482560e] /users/champ/lacki/alps202-gcc446mpiok/lib/libboost.so(+0x2278b8) [0x7f43c48258b8] /users/champ/lacki/alps202-gcc446mpiok/lib/libboost.so(_ZN5boost6python21handle_exception_implENS_9function0IvEE+0x5b) [0x7f43c480ce3b] /users/champ/lacki/alps202-gcc446mpiok/lib/libboost.so(+0x2241c8) [0x7f43c48221c8] /usr/lib64/libpython2.7.so.1.0(PyObject_Call+0x53) [0x35ed248fe3] /usr/lib64/libpython2.7.so.1.0(PyEval_EvalFrameEx+0x3b73) [0x35ed2de0a3] /usr/lib64/libpython2.7.so.1.0(PyEval_EvalCodeEx+0x855) [0x35ed2e1125] /usr/lib64/libpython2.7.so.1.0(PyEval_EvalFrameEx+0x5556) [0x35ed2dfa86] /usr/lib64/libpython2.7.so.1.0(PyEval_EvalCodeEx+0x855) [0x35ed2e1125] /usr/lib64/libpython2.7.so.1.0(PyEval_EvalCode+0x32) [0x35ed2e1252] /usr/lib64/libpython2.7.so.1.0() [0x35ed2fb3ac] /usr/lib64/libpython2.7.so.1.0(PyRun_FileExFlags+0x90) [0x35ed2fc1e0] /usr/lib64/libpython2.7.so.1.0(PyRun_SimpleFileExFlags+0xdf) [0x35ed2fcc5f] /usr/lib64/libpython2.7.so.1.0(Py_Main+0xb85) [0x35ed30e285] /lib64/libc.so.6(__libc_start_main+0xed) [0x35d182135d] python() [0x400651] [[], [], [], []] ******************************************************************************************************** I see that I shoudl specify time step, but I am interested only in imaginary time evolution. Should I specify that in any way? Regards, Mateusz Łącki

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covariance matrix
by august＠fzu.cz 25 Jul '12

25 Jul '12

Hi all, I would like to calculate the covarince matrix of MC data from CT-HYB. But when I run the method "covarinace" of the SimpleObservableEvaluator class, it fails on "no binning information available for calculation of covariances". Is there some way to fix this and set the number of bins? I am using ALPS 2.0.2-r5790. Thank you, Pavel

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3D XY model with ALPS
by Alvise Scarpa 03 Jul '12

03 Jul '12

Hi, I'd need to simulate a three-dimensional XY model, studying the helicity modulus as a function of temperature. (3D XY means that the sites are defined on a cubic lattice, while the spins are constrained on a plane) I'd have a few questions: 0) Can I do that with ALPS? (I suppose the answer will be yes...) 1) Is it possible to do that just from a parameter file, without using the Python interface? In particular, how is it possibile to measure the helicity modulus? 2) Is there any place where I could find a relevant parameter file, or one I could adapt to fit my needs? Thanks in advance (and sorry if the question is too silly, I have been playing with ALPS for a couple of days so far! I have searched for my issues in the documentation by I could not find relevant examples!) Best Regards, Alvise

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