- Comp-phys-alps-users - lists.phys.ethz.ch

using sparsediag
by 陈巧妮 30 Aug '12

30 Aug '12

Hi, everyone I'm using sparsediag to get the ground state of Hubbard model, e.g. L=12, with the particle number constraint Nup_total=6, Ndown_total=6. Using the command line. If I calculate the correlation function , it takes 900 sec, if not it takes 100 sec, does anyone know how to speed up this calculation? Btw if I use python to run the result, I can't see the result from the task.out.xml file, how to look up the result -- Qiaoni Chen Department of Chemistry, Princeton University Princeton, NJ, 08544 Tel +1-609-865-0817

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ngs mcresult operators
by august＠fzu.cz 21 Aug '12

21 Aug '12

Hi all, I found a strange behavior of ngs mcresult operators "+" and "*". I made a fresh instalation of ALPS-2.1.1-r6193, edited /alps/applications/dmft/qmc/hybridization2/main.C and added the following code between lines 52 and 53: alps::mcresult img, temp; img = results["gw_im"]; temp = img + img; std::vector<double> temp_mean, img_mean; temp_mean = temp.mean<std::vector<double> >(); img_mean = img.mean<std::vector<double> >(); I would expect temp_mean to be just twice the img_mean. However, it seems to be 2*img_mean*img.bin_size()/img_mean.size(). Similarly, the "*" oerator yields wrongly scalled result as well (I do not know what the scaling factor is). On the contrary, "img-img" and "img/img" gives correct answers. Is it a bug or just my misunderstanding of what these operators should do? Besides that, I would like to use the mcresult::covariance method, but it is not implemented yet. Could I ask anyone to change that? Thank you for any help or comments! Best regards, Pavel

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pyalps.loadMeasurements & MPI -> Floating point exception
by Kevin Slagle 17 Aug '12

17 Aug '12

Hello When I run the attached python file, the simulation runs way too fast (ie it isn't running correctly) and then crashes at the pyalps.loadMeasurements function since the data output isn't valid. The cause seems to be the MPI=4 parameter in the pyalps.runApplication function. I realize that MPI=4 is silly for running over only one set of parameters (eg different temperatures). However, I have similar issues when I run over multiple parameters. Any ideas what I need to do to fix this? Or is this a reproducible bug (seems unlikely..)? my system: cpu = 64bit Ivy Bridge i7 distro = Arch Linux (packages up to date) $ ./Heisenburg.py mpirun -np 4 dirloop_sse --mpi Heisenburg.in.xml --Tmin 1 Quantum Monte Carlo simulations using the SSE algorithm v. 4.1.1 available from http://alps.comp-phys.org/ copyright (c) 2003-2010 by Sergei Isakov <isakov(a)itp.phys.ethz.ch> using the ALPS parallelizing scheduler copyright (c) 1994-2006 by Matthias Troyer <troyer(a)comp-phys.org>. see Lecture Notes in Computer Science, Vol. 1505, p. 191 (1998). based on the ALPS libraries version 2.1.1 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. parsing task files ... Creating a new simulation: 1 on 4 processes Created run 1 locally Created run 2 remote on Host ID: 1 Created run 3 remote on Host ID: 2 Created run 4 remote on Host ID: 3 All processes have been assigned Checking if Simulation 1 is finished: not yet, next check in 1 seconds ( 0% done). Checking if Simulation 1 is finished: not yet, next check in 1 seconds ( 58% done). NUMBER_OF_WORMS_PER_SWEEP: 9 NUMBER_OF_WORMS_PER_SWEEP: 9 NUMBER_OF_WORMS_PER_SWEEP: 9 NUMBER_OF_WORMS_PER_SWEEP: 9 Checking if Simulation 1 is finished: Finished Halted Simulation 1 Checkpointing Simulation 1 Finished with all tasks. loading measurements: Floating point exception thanks! Kevin

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non-standard constraint: "NL + nR" value="N_total"
by Mateusz Łącki 04 Aug '12

04 Aug '12

Dear All, I want to define a model for boson-boson mixture to be run by a worm code. I have two types of bosons: of type L and type R. I would like to be able to consider a conservation of total number of bosons that is : nL + nR = const. What should I put into "contraint": <CONSTRAINT quantumnumber="N" value="N_total"/> ? I would like to have something like <CONSTRAINT quantumnumber="NL + nR" value="N_total"/> An option is probably to redefine quantum numbers from: nR and nL into nA and nB by nA = (nR + nL) and nB = (nL-nR) (now nA is >=0 and nB is arbitrary) of course one would have to change creation and annihilation operators, all observables... this i why I would like to avoid it. Regards, Mateusz Łącki

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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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