August 2012 - Comp-phys-alps-users

Inconsistent comment in generate_spline_matrix in the DMFT folder
by Kuangshing Chen 21 Jul '15

21 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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Re: [ALPS-users] Comp-phys-alps-users Digest, Vol 77, Issue 5
by 陈巧妮 30 Aug '12

30 Aug '12

I'm calculating the one particle reduced density matrix, so it's the cdag_up:c_up, and cdag_down:c_down. 2012/8/30 <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. using sparsediag (???) > 2. Re: using sparsediag (Matthias Troyer) > > > ---------------------------------------------------------------------- > > Message: 1 > Date: Wed, 29 Aug 2012 21:35:13 -0400 > From: ??? <qiaoni2233(a)gmail.com> > To: comp-phys-alps-users(a)lists.phys.ethz.ch > Subject: [ALPS-users] using sparsediag > Message-ID: > <CAEM5Jm67=pHMzhVxKwZuPKFJjiNpw8A3+LSSa3hG0MJ9zEAC= > Q(a)mail.gmail.com> > Content-Type: text/plain; charset="iso-8859-1" > > 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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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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