December 2013 - 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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cmake error in configuring alps 2.1.1
by Mohammadreza Abdollahzadeh 02 Jan '14

02 Jan '14

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Re: [ALPS-users] Comp-phys-alps-users Digest, Vol 93, Issue 11
by Elton Nascimento 31 Dec '13

31 Dec '13

Dear Matthias Troyer Thanks for you attention. You are right on your first option, that is exactly I have: a complex lattice with two sites per unit cell and I must ensure exactly two particles per unit cell. 2013/12/30 <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. Re: Constraints for a unit cell (Matthias Troyer) > > > ---------------------------------------------------------------------- > > Message: 1 > Date: Sun, 29 Dec 2013 15:37:02 +0100 > From: Matthias Troyer <troyer(a)phys.ethz.ch> > To: ALPS user list <comp-phys-alps-users(a)lists.phys.ethz.ch> > Subject: Re: [ALPS-users] Constraints for a unit cell > Message-ID: <1FC5704D-82EB-4A08-A16F-08376885EA58(a)phys.ethz.ch> > Content-Type: text/plain; charset=iso-8859-1 > > Hi, > > what do you mean by 2-site unit cell? Do you have a complex lattice with > two sites per unit cell and you want to have exactly two particles per unit > cell, or do you want to have two particles in total on the whole lattice? > > > On 28 Dec 2013, at 16:59, Elton Nascimento <emn(a)fis.ufal.br> wrote: > > > Dear All > > > > How can I constrain the particle numbers of a 2-sites unit cell for a > constant N=2? I am trying to obtain local magnetization using DMRG > application and t-J model. > > > > Thanks everybody. > > > > Elton M. Nascimento > > Instituto de F?sica - UFAL-Brazil > > > > End of Comp-phys-alps-users Digest, Vol 93, Issue 11 > **************************************************** >

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Fw: cmake error in configuring alps 2.1.1
by Mohammadreza Abdollahzadeh 31 Dec '13

31 Dec '13

hi every one I try to install alps, but I get following error from cmake: CMake Error: The following variables are used in this project, but they are set to NOTFOUND. Please set them or make sure they are set and tested correctly in the CMake files: HDF5_dl_LIBRARY_DEBUG (ADVANCED) HDF5_hdf5_LIBRARY_DEBUG (ADVANCED) HDF5_hdf5_hl_LIBRARY_DEBUG (ADVANCED) HDF5_m_LIBRARY_DEBUG (ADVANCED) HDF5_pthread_LIBRARY_DEBUG (ADVANCED) HDF5_z_LIBRARY_DEBUG (ADVANCED) help me please! ps: I use archlinux distribution with following updated packages installed: hdf5 1.8.11-1 boost 1.55.0-4 cmake 2.8.12.1-3 python2 2.7.6-1 python2-h5py 2.2.0-1 python2-matplotlib 1.3.1-1 python2-numpy 1.8.0-1 python2-scipy 0.13.2-1 blas 3.4.2-2 lapack 3.4.2-2

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Constraints for a unit cell
by Elton Nascimento 29 Dec '13

29 Dec '13

Dear All How can I constrain the particle numbers of a 2-sites unit cell for a constant N=2? I am trying to obtain local magnetization using DMRG application and t-J model. Thanks everybody. Elton M. Nascimento Instituto de Física - UFAL-Brazil

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How can DMRG in ALPS calculate this unparallel edge magnetic fields model
by cuishuai_757 27 Dec '13

27 Dec '13

Dear all ALPS users, I want to calculate ground state energy of XXX Heisenberg chain of open boundary conditon with unparallel edge magnetic fields,i.e.,H=\sum_{j=1}^{N-1}\sigma_j \sigma_{j+1}+\frac{1}{p}\sigma_N^z+\frac{1}{q}(\sigma_1^z +\xi\sigma_1^x)it have sigma^z term in site N, sigma^z and sigma^x terms in site 1. but the dmrg in ALPS, can not give correct result. I think the reason is sigma^x term, which lead to the quantity "s_z" doesn't conserve, as I set the coeffecient of sigma^x to 0, the energy agrees to the data using exact diagonalization very well. Is DMRG in ALPS able to calculate this unparallel edge magnetic fields model? I believe DMRG can solve this model, should I modify some parameter or code? My files are below: LATTICE_LIBRARY="my_lattice.xml"LATTICE="open chain lattice with special edges 16 "MODEL="spin"J=4SWEEPS=4NUMBER_EIGENVALUES=1local_S=0.5h0=-0.5Gamma0=-0.0625h2=0.25{MAXSTATES=40} <LATTICES> <GRAPH name="open chain lattice with special edges 16" dimension="1" vertices=" 16 " edges="15"> <VERTEX id="1" type="0"><COORDINATE>0</COORDINATE></VERTEX> <VERTEX id="2" type="1"><COORDINATE>2</COORDINATE></VERTEX> <VERTEX id="3" type="1"><COORDINATE>3</COORDINATE></VERTEX> <VERTEX id="4" type="1"><COORDINATE>4</COORDINATE></VERTEX> <VERTEX id="5" type="1"><COORDINATE>5</COORDINATE></VERTEX> <VERTEX id="6" type="1"><COORDINATE>6</COORDINATE></VERTEX> <VERTEX id="7" type="1"><COORDINATE>7</COORDINATE></VERTEX> <VERTEX id="8" type="1"><COORDINATE>8</COORDINATE></VERTEX> <VERTEX id="9" type="1"><COORDINATE>9</COORDINATE></VERTEX> <VERTEX id="10" type="1"><COORDINATE>10</COORDINATE></VERTEX> <VERTEX id="11" type="1"><COORDINATE>11</COORDINATE></VERTEX> <VERTEX id="12" type="1"><COORDINATE>12</COORDINATE></VERTEX> <VERTEX id="13" type="1"><COORDINATE>13</COORDINATE></VERTEX> <VERTEX id="14" type="1"><COORDINATE>14</COORDINATE></VERTEX> <VERTEX id="15" type="1"><COORDINATE>15</COORDINATE></VERTEX> <VERTEX id="16" type="2"><COORDINATE>16</COORDINATE></VERTEX> <EDGE source="1" target="2" id="1" type="0" vector="1"/> <EDGE source="2" target="3" id="2" type="0" vector="1"/> <EDGE source="3" target="4" id="3" type="0" vector="1"/> <EDGE source="4" target="5" id="4" type="0" vector="1"/> <EDGE source="5" target="6" id="5" type="0" vector="1"/> <EDGE source="6" target="7" id="6" type="0" vector="1"/> <EDGE source="7" target="8" id="7" type="0" vector="1"/> <EDGE source="8" target="9" id="8" type="0" vector="1"/> <EDGE source="9" target="10" id="9" type="0" vector="1"/> <EDGE source="10" target="11" id="10" type="0" vector="1"/> <EDGE source="11" target="12" id="11" type="0" vector="1"/> <EDGE source="12" target="13" id="12" type="0" vector="1"/> <EDGE source="13" target="14" id="13" type="0" vector="1"/> <EDGE source="14" target="15" id="14" type="0" vector="1"/> <EDGE source="15" target="16" id="15" type="0" vector="1"/> </GRAPH></LATTICES> the energy of ALPS is : -6.4655612295266689numerical dialoge data: -27.684359423813586the difference is large! why? Best wishes! Shuai Cui

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DMRG in ALPS unable to calculate the unparallel edge magnetic fields model
by cuishuai_757 25 Dec '13

25 Dec '13

Dear all ALPS users, I want to calculate ground state energy of XXX Heisenberg chain of open boundary conditon with unparallel edge magnetic fields,i.e.,H=\sum_{j=1}^{N-1}\sigma_j \sigma_{j+1}+\frac{1}{p}\sigma_N^z+\frac{1}{q}(\sigma_1^z +\xi\sigma_1^x)it have sigma^z term in site N, sigma^z and sigma^x terms in site 1. but the dmrg in ALPS, can not give the correct result. I think the reason is sigma^x term, which lead to the quantity "s_z" doesn't conserve, as I set the coeffecient of sigma^x to 0, the energy agrees to the data using exact diagonalization very well. Is DMRG in ALPS able to calculate this unparallel edge magnetic fields model? My files are below: LATTICE_LIBRARY="my_lattice.xml"LATTICE="open chain lattice with special edges 16 "MODEL="spin"J=4SWEEPS=4NUMBER_EIGENVALUES=1local_S=0.5h0=-0.5Gamma0=-0.0625h2=0.25{MAXSTATES=40} <LATTICES> <GRAPH name="open chain lattice with special edges 16" dimension="1" vertices=" 16 " edges="15"> <VERTEX id="1" type="0"><COORDINATE>0</COORDINATE></VERTEX> <VERTEX id="2" type="1"><COORDINATE>2</COORDINATE></VERTEX> <VERTEX id="3" type="1"><COORDINATE>3</COORDINATE></VERTEX> <VERTEX id="4" type="1"><COORDINATE>4</COORDINATE></VERTEX> <VERTEX id="5" type="1"><COORDINATE>5</COORDINATE></VERTEX> <VERTEX id="6" type="1"><COORDINATE>6</COORDINATE></VERTEX> <VERTEX id="7" type="1"><COORDINATE>7</COORDINATE></VERTEX> <VERTEX id="8" type="1"><COORDINATE>8</COORDINATE></VERTEX> <VERTEX id="9" type="1"><COORDINATE>9</COORDINATE></VERTEX> <VERTEX id="10" type="1"><COORDINATE>10</COORDINATE></VERTEX> <VERTEX id="11" type="1"><COORDINATE>11</COORDINATE></VERTEX> <VERTEX id="12" type="1"><COORDINATE>12</COORDINATE></VERTEX> <VERTEX id="13" type="1"><COORDINATE>13</COORDINATE></VERTEX> <VERTEX id="14" type="1"><COORDINATE>14</COORDINATE></VERTEX> <VERTEX id="15" type="1"><COORDINATE>15</COORDINATE></VERTEX> <VERTEX id="16" type="2"><COORDINATE>16</COORDINATE></VERTEX> <EDGE source="1" target="2" id="1" type="0" vector="1"/> <EDGE source="2" target="3" id="2" type="0" vector="1"/> <EDGE source="3" target="4" id="3" type="0" vector="1"/> <EDGE source="4" target="5" id="4" type="0" vector="1"/> <EDGE source="5" target="6" id="5" type="0" vector="1"/> <EDGE source="6" target="7" id="6" type="0" vector="1"/> <EDGE source="7" target="8" id="7" type="0" vector="1"/> <EDGE source="8" target="9" id="8" type="0" vector="1"/> <EDGE source="9" target="10" id="9" type="0" vector="1"/> <EDGE source="10" target="11" id="10" type="0" vector="1"/> <EDGE source="11" target="12" id="11" type="0" vector="1"/> <EDGE source="12" target="13" id="12" type="0" vector="1"/> <EDGE source="13" target="14" id="13" type="0" vector="1"/> <EDGE source="14" target="15" id="14" type="0" vector="1"/> <EDGE source="15" target="16" id="15" type="0" vector="1"/> </GRAPH></LATTICES> the energy of ALPS is : -6.4655612295266689numerical dialoge data: -27.684359423813586the difference is large! why? Best wishes1 Shuai Cui

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Saving boost::multi_array broken in SVN version?
by Peter Bröcker 16 Dec '13

16 Dec '13

Hello, following the bug report this morning, I upgraded to the SVN version [7274]. Unfortunately, I can not longer save boost::multi_array in the load / save functions. The compile error I get is […]/alps/include/alps/osiris/dump.h: In function 'alps::IDump& alps::operator>>(alps::IDump&, T&) [with T = boost::multi_array<double, 3u, std::allocator<double> >]': […]/alps/include/alps/osiris/dump.h:242:37: error: 'class boost::multi_array<double, 3u, std::allocator<double> >' has no member named 'load' I know that in principal I have to take care of serialising objects but at least in [6172] this worked fine. Can I fix this easily? Best, Peter

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Bug in Jackknife calculation in Alea
by Synge Todo 16 Dec '13

16 Dec '13

Dear ALPS Developers and Users, I have found a serious bug in alps::SimpleObservableData class defined in src/alps/alea/simpleobsdata.h. This bug has been introduced at [3918] (Feb. 24 2010, https://alps.comp-phys.org/trac/changeset/3918) and overlooked for about 4 years. After [3918], the jackknife data structure is rebuild (or updated) only when it becomes necessary for linear or nonlinear operation. Unfortunately, the timing when it is invoked was wrong in some member functions. As a result, the results of operation in the evaluator also become incorrect in some cases. For example, the following test code (alps/test/alea/mergeobs_times.C) std::vector<alps::ObservableSet> obssets(nsets); BOOST_FOREACH(alps::ObservableSet &obs, obssets){ obs << alps::RealObservable("one"); obs.reset(true); for(int i = 0; i < MCS; ++i) obs["one"] << 1.0 + (2 * random() - 1) * 0.3; } // merge for(int i = 1; i < nsets; ++i) obssets[0] << obssets[i]; alps::ObservableSet& obs = obssets[0]; alps::RealObsevaluator one = obs["one"]; make_obs(one * 2.0); std::cout << obs; generates one * 2.0: 4.0... instead of one * 2.0: 2.0... This problem happens only if you 1) merge two or more ObservableSets (i.e. NUM_CLONES >= 2), and 2) operate (add, multiply, etc) a scaler constant or perform a nonlinear operation (exp, log, etc) just after merging two (or more) ObservableSets. in your evaluator. On the other hand, operations between two evaluators are safe. Also, once you have performed an operation between two evaluators, succeeding scaler operations or nonlinear operations work correctly. For example, binder = m4 / (m2 * m2); // binder cumulant corr = (L / (2*M_PI)) * sort(s0 / s1 - 1.0); // Second moment correlation length estimator are safe, but density = mag + 0.5; will be incorrect. From what I've seen so far, the ALPS applications do not suffer from this bug. But if you are using (or have written) your own evaluator, please check your code carefully and upgrade ALPS to [7274] or later as soon as possible. Best regards, Synge

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Re: [ALPS-users] Histogram Raw Data MC Simulation
by Ionel Bogdan Guster 15 Dec '13

15 Dec '13

Yes, but not the very final ones. For example, let's take the energy. As far as my knowledge, the output for every energy value is an average generated by means of simulating. and I would like to extract the data that is giving this average final value. These simulated values for the energy, if I'm not wrong, will be generated with a certain distribution(e.g. Gaussian), and, probably, somewhere ALPS is storing at least temporary these values(no of bins, width, value for every bin and so on) for calculating the final values for the energy( the ones that I can actually see in the xml files) and the other output that one wants. Maybe I got the idea on how ALPS is running wrong. If it's only a modification in the parameters file, I can't do that on the work computer( read-only files and I don't have administrative rights for that). The point is that I am trying to understand how these simulations work, that's why I am trying to get to know what a simulation does from the very beginning. Thank you! Bogdan

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