December 2011 - 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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Bug in diagonalization measurements
by Chris Laumann 28 Dec '11

28 Dec '11

Hi ALPS- I've been playing around with ALPS diagonalization procedures in the tutorials and seem to have run across a bug in the measurement behavior. If you add the following measurement to parm1a in ed-01-sparsediag (and appropriately convert the input file to xml): MEASURE_AVERAGE[Avg Sx] = Sx Then sparsediag dies with a parsing error: $ sparsediag parm1a.in.xml ALPS sparse diagonalization application version 1.1 available from http://alps.comp-phys.org/ copyright (c) 2003-2007 by Matthias Troyer <troyer(a)comp-phys.org> for details see the publication: A.F. Albuquerque et al., J. of Magn. and Magn. Materials 310, 1187 (2007). 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 2.0.2-r5790 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 publication: B. Bauer et al., J. Stat. Mech. (2011) P05001. parsing task files ... Starting task 1. Quantumnumber Sz going from -4 to 4 with increment 1 Did not parse to end of string '(Sx)/4(i)' I couldn't figure out any way to measure an average single site operator (rather than a correlation) because of this issue. Best, Chris

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errors after install
by A. Giovanni Ramirez Garcia 28 Dec '11

28 Dec '11

Dear all, I installed Alps 2.0 after a lot of work finding the libraries for my linux distribution (openSUSE 12) and now, when I try to run the tutorials as I did in the liveALPS version I get this error parsing task files ... Did not parse to end of string 'DEPLETION' even running from the command line. Is it a common error? Thanks in advance, Giovanni

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no speedup when running sparsediag with --mpi
by Matt Hurst 27 Dec '11

27 Dec '11

Hey everyone, I have build ALPS with openmpi and acml. Trying to run an exact diagonalization with 4 processors in parallel by calling mpirun -np 4 ~/alps/bin/sparsediag --mpi --write-xml param_test.in.xml succeeds in the sense that sparsediag prints: Creating a new simulation: 1 on 4 processes All processes have been assigned Starting Lanczos Finished Lanczos Checking if Simulation 1 is finished: Finished Halted Simulation 1 Checkpointing Simulation 1 Finished with all tasks. However, there seems to be no speedup at all with respect to a calculation with a single process. The runtime is almost exactly the same and when I check "top" only one process appears to be working while the other three are using 0% CPU time. (All processes were started on the same multicore machine.) What could be the reason? Should I build with different libraries or set specific environment variables? Some potentially relevant lines form CMakeCache.txt: ALPS_ENABLE_MPI:BOOL=ON ALPS_ENABLE_OPENMP:BOOL=OFF MPIEXEC_MAX_NUMPROCS:STRING=2 (Why? There are certainly more than two processors available.) MPI_CXX_COMPILER:FILEPATH=/opt/MPI/openmpi-1.5.3/linux/gcc/bin/mpicxx best regards, Matt

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Eigenvectors ED
by Shevchuk Olya 26 Dec '11

26 Dec '11

Hello, I am trying to run fulldiag for Heisenberg model. What I need is eigenstates for each Sz. I read in the parameter description that by default fulldiag or sparsearray does not store eigenvectors. Can you please help me to figure it out how to store them? thanks in advance, Olya.

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Problem with large graph
by Volodymyr Derzhko 26 Dec '11

26 Dec '11

Dear Mr. Troyer, I have another problem with a graph, which consists of 32 sites. fulldiag works perfectly with smaller graphs (8 and 18 sites) but won't with 32-sites one. I tried it under linux (command line, Vistrails) and Windows(Vistrails). There is no error, but it can't diagonalize it (time of diagonalizing is longer than several hours; I had to interrupt the process). Note, that I'm taking {N_total=1; Sz_total=1/2;}, and it's hard to believe, that it can take hours and hours to diagonalize it. The lattice, model, and tasks files are attached. Please, let me know what can be wrong. Probably, there is a limitation for big lattice size? Thank you in advance, Volodymyr Derzhko

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more script module for plotting result of dmft
by lutfi rohman 23 Dec '11

23 Dec '11

I am a student Ph.D from Indonesia, and I interest to dmft tools in ALPS. 1. How to plot DOS from dmft result? 2. I can not read (access) about Common hardcoded measurements and The tools in alps web page, how do I acces it? 3. How can I know data results from dmft simulations in file.h5? thanks very much, best regards Lutfi R

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Excited energies
by Elliot Snow-Kropla 21 Dec '11

21 Dec '11

Dear All, I am trying to use the QMC loop code to get the energies for excited states of my Hamiltonians. Getting the ground state energy is built in; is there an easy way for me to pull out the first excited energy? Thanks, -Elliot Snow-Kropla

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construct_matrix in update.h in the Hybridization Expansion
by Kuangshing Chen 14 Dec '11

14 Dec '11

Hi, I look through the source code of hybridization in alps/applications/dmft/qmc and have a question: The template function construct_matrix in update.h is defined but NEVER used in the code. I use grep to search for that: grep construct_matrix * -R The result is only the definition in update.h. Now the question is: How is the matrix M (inverse of hybridization function) constructed? M is only initialized in the constructor of HybridizationRun but it is never assigned to any value after that. How is the code working without defining M? Thank you, -- Kuang-Shing Chen

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