June 2011 - Comp-phys-alps-users

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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Self Energy in DMFT Code
by Hunter Sims 11 Sep '11

11 Sep '11

Dear All, I have written a little DMFT code using the ALPS CTQMC impurity solver. The code accepts an arbitrary Hamiltonian (eventually with the goal of doing some form of LDA+DMFT, currently just a model tight-binding Hamiltonian). Firstly, I was wondering what might be done to address the large amount of noise in the tail of the self energy (after the first 20 or so Matsubara frequencies, the noise is a couple of orders of magnitude larger than the "signal"). I suppose it is not surprising that subtracting the inverses of two small numbers would lead to this sort of thing. Secondly, the type of lattice (a Bethe lattice by default in the ALPS dmft code) seems to enter into the picture via a set of three constants in the Fourier transforms. For the forward transform, these seem to be boundary terms in a numerical integration-by-parts method. They also appear in the backward transform, although it is less clear to me what their function might be. I was also wondering, if it does not exceed the scope of a mailing list query, if there are other places in the provided dmft code in which the Bethe lattice is tacitly assumed. Any help would be greatly appreciated. Regards, Hunter -- Hunter Sims Center for Materials for Information Technology University of Alabama Box 870209 Tuscaloosa AL 35487-0209 205-310-9369

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Where is the measurements defined in hybridization dmft?
by Brains Chen 29 Jul '11

29 Jul '11

Dear all, I want to modify the measurement in the hybridization expansion of dmft and I looked through the source code in alps/applications/dmft/qmc and its two subdirectories hybridization/ and interaction_expansion/. In the hybridization/impurity.h, a paragraph of codes looks // create measurement objects measurements << RealVectorObservable("n"); measurements << RealVectorObservable("order"); measurements << vec_obs_t("Greens"); measurements << vec_obs_t("Greens_4point"); measurements << vec_obs_t("Greens_4point_ud"); measurements << RealObservable("sign"); measurements << RealObservable("MatrixSize"); measurements << RealVectorObservable("overlap"); Where is the 'measurements' defined? -- Kuang-Shing Chen

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installation problem
by zhian asadzadeh 23 Jun '11

23 Jun '11

Dear All, I am trying to install *ALPS.2.01 *on cluster, for the installation I have followed the provided instruction on the main page of the project, those three step for installation has been down without error, but surprisingly finally I have nothing on the specified path for the installed code. these are the out put of each command: $ *cmake* -D Boost_ROOT_DIR=/u/cm/asadzade/alps-2.0.1-r5565-src-with-boost/boost/ -D Boost_INCLUDE_DIR=/u/cm/asadzade/alps-2.0.1-r5565-src-with-boost/boost/ -D FFTW_LIBRARIES=/opt/fftw/3.2.2/intel/lib -D FFTW_INCLUDE_DIR=/opt/fftw/3.2.2/intel/include -D MKL_INCLUDE_DIR=/opt/intel/mkl/10.0.5.025/include/ -D LAPACK_LIBRARY=/opt/intel/Compiler/11.1/069/mkl/lib/em64t/libmkl_core.so -D LAPACK_64_BIT=ON -D HDF5_INCLUDE_DIR=/opt/hdf5/1.8.5p1/gnu/include/ -D HDF5_LIBRARIES=/opt/hdf5/1.8.5p1/gnu/lib/libhdf5.so.6 -D BLAS_LIBRARY=/opt/rinave/blas-lapack/libblas.so.3.0.3 -D MPI_LIBRARY=/opt/openmpi/1.3.4/intel-11.0/lib -DCMAKE_INSTALL_PREFIX=/u/cm/asadzade/ALPS2/ /u/cm/asadzade/alps-2.0.1-r5565-src-with-boost/alps/* -- Build type: Release -- Python interpreter /opt/python/2.6.4/bin/python -- Python interpreter ok : version 2.6.4 -- PYTHON_INCLUDE_DIRS = /opt/python/2.6.4/include/python2.6 -- PYTHON_NUMPY_INCLUDE_DIR = /opt/numpy/1.5.1/lib/python2.6/site-packages/numpy/core/include -- PYTHON_SITE_PKG = /opt/python/2.6.4/lib/python2.6/site-packages -- PYTHON_LIBRARY = /opt/python/2.6.4/lib/python2.6/config/libpython2.6.a -- PYTHON_EXTRA_LIBS =-lpthread -ldl -lutil -- PYTHON_LINK_FOR_SHARED = -Xlinker -export-dynamic -- ALPS version: 2.0.1 -- Looking for Boost Source -- Found Boost Source: /u/cm/asadzade/alps-2.0.1-r5565-src-with-boost/boost/ -- Boost Version: 1_46_1 -- LPSolve Library: not found -- Using ALPS-installed ZLIB -- Using ALPS-installed SZIP -- Could NOT find SZIP (missing: SZIP_LIBRARIES SZIP_INCLUDE_DIRS) -- Using ALPS-installed HDF5 in . -- HDF5 version found is 1.8.5-patch1 in /opt/hdf5/1.8.5p1/gnu/include -- Python interpreter /opt/python/2.6.4/bin/python -- Python interpreter ok : version 2.6.4 -- PYTHON_INCLUDE_DIRS = /opt/python/2.6.4/include/python2.6 -- PYTHON_NUMPY_INCLUDE_DIR = /opt/numpy/1.5.1/lib/python2.6/site-packages/numpy/core/include -- PYTHON_SITE_PKG = /opt/python/2.6.4/lib/python2.6/site-packages -- PYTHON_LIBRARY = /opt/python/2.6.4/lib/python2.6/config/libpython2.6.a -- PYTHON_EXTRA_LIBS =-lpthread -ldl -lutil -- PYTHON_LINK_FOR_SHARED = -Xlinker -export-dynamic -- Numpy include in /opt/numpy/1.5.1/lib/python2.6/site-packages/numpy/core/include -- ALPS XML dir is ./u/cm/asadzade/ALPS2/xml -- Adding Boost dir: /u/cm/asadzade/alps-2.0.1-r5565-src-with-boost/boost/ -- Configuring done -- Generating done -- Build files have been written to: /u/cm/asadzade/alps-2.0.1-r5565-src-with-boost/alps *$* make[ 73%] Built target boost [ 75%] Built target boost_prg_exec_monitor [ 87%] Built target boost_test_exec_monitor [100%] Built target boost_unit_test_framework $ make install (just some part of it) [ 73%] Built target boost [ 75%] Built target boost_prg_exec_monitor [ 87%] Built target boost_test_exec_monitor [100%] Built target boost_unit_test_framework Install the project... -- Install configuration: "Release" -- Up-to-date: /u/cm/asadzade/alps-2.0.1-r5565-src-with-boost/alps/./alps/Welcome.txt -- Up-to-date: /u/cm/asadzade/alps-2.0.1-r5565-src-with-boost/alps/./alps/CITATIONS.txt -- Installing: /u/cm/asadzade/alps-2.0.1-r5565-src-with-boost/alps/./alps/CMakeCache.txt -- Up-to-date: /u/cm/asadzade/alps-2.0.1-r5565-src-with-boost/alps/./alps/LICENSE-package.txt -- Up-to-date: /u/cm/asadzade/alps-2.0.1-r5565-src-with-boost/alps/./alps/LICENSE.txt -- Up-to-date: /u/cm/asadzade/alps-2.0.1-r5565-src-with-boost/alps/./alps/LICENSE_1_0.txt -- Up-to-date: /u/cm/asadzade/alps-2.0.1-r5565-src-with-boost/alps/./alps/README-light.txt -- Up-to-date: /u/cm/asadzade/alps-2.0.1-r5565-src-with-boost/alps/./alps/LICENSE-applications.txt -- Up-to-date: /u/cm/asadzade/alps-2.0.1-r5565-src-with-boost/alps/./alps/LICENSE-light.txt -- Up-to-date: /u/cm/asadzade/alps-2.0.1-r5565-src-with-boost/alps/./alps/README-package.txt -- Installing: /u/cm/asadzade/alps-2.0.1-r5565-src-with-boost/alps/./alps/install_manifest.txt -- Up-to-date: /u/cm/asadzade/alps-2.0.1-r5565-src-with-boost/alps/./alps/CMakeLists.txt -- Up-to-date: /u/cm/asadzade/alps-2.0.1-r5565-src-with-boost/alps/./alps/README.txt -- Up-to-date: /u/cm/asadzade/alps-2.0.1-r5565-src-with-boost/alps/./alps/script/hdf5.sh -- Up-to-date: /u/cm/asadzade/alps-2.0.1-r5565 . . .-- Installing: /u/cm/asadzade/alps-2.0.1-r5565-src-with-boost/alps/./alps/tutorials/./dmft-02-hybridization/beta_10_U3_tsqrt2 -- Up-to-date: /u/cm/asadzade/alps-2.0.1-r5565-src-with-boost/alps/./alps/tutorials/./dmft-02-hybridization/beta_10_U3_tsqrt2/G0_omega_input -- Up-to-date: /u/cm/asadzade/alps-2.0.1-r5565-src-with-boost/alps/./alps/tutorials/./dmft-02-hybridization/beta_10_U3_tsqrt2/hybrid.parm -- Up-to-date: /u/cm/asadzade/alps-2.0.1-r5565-src-with-boost/alps/./alps/tutorials/./dmft-02-hybridization/G0_tau_input_beta_12.0 -- Installing: /u/cm/asadzade/alps-2.0.1-r5565-src-with-boost/alps/./alps/tutorials/./dmft-02-hybridization/beta_12_U3_tsqrt2 -- Up-to-date: /u/cm/asadzade/alps-2.0.1-r5565-src-with-boost/alps/./alps/tutorials/./dmft-02-hybridization/beta_12_U3_tsqrt2/G0_omega_input -- Up-to-date: /u/cm/asadzade/alps-2.0.1-r5565-src-with-boost/alps/./alps/tutorials/./dmft-02-hybridization/beta_12_U3_tsqrt2/hybrid.parm -- Installing: /u/cm/asadzade/alps-2.0.1-r5565-src-with-boost/alps/./alps/tutorials/./dmft-02-hybridization/beta_6_U3_tsqrt2 -- Up-to-date: /u/cm/asadzade/alps-2.0.1-r5565-src-with-boost/alps/./alps/tutorials/./dmft-02-hybridization/beta_6_U3_tsqrt2/G0_omega_input -- Up-to-date: /u/cm/asadzade/alps-2.0.1-r5565-src-with-boost/alps/./alps/tutorials/./dmft-02-hybridization/beta_6_U3_tsqrt2/hybrid.parm -- Up-to-date: /u/cm/asadzade/alps-2.0.1-r5565-src-with-boost/alps/./alps/tutorials/./dmft-02-hybridization/dmft-02-inputs.zip -- Up-to-date: /u/cm/asadzade/alps-2.0.1-r5565-src-with-boost/alps/./alps/tutorials/./dmft-02-hybridization/G0_tau_input_beta_14.0 -- Installing: /u/cm/asadzade/alps-2.0.1-r5565-src-with-boost/alps/./alps/tutorials/./dmft-02-hybridization/beta_14_U3_tsqrt2 -- Up-to-date: /u/cm/asadzade/alps-2.0.1-r5565-src-with-boost/alps/./alps/tutorials/./dmft-02-hybridization/beta_14_U3_tsqrt2/G0_omega_input -- Up-to-date: /u/cm/asadzade/alps-2.0.1-r5565-src-with-boost/alps/./alps/tutorials/./dmft-02-hybridization/beta_14_U3_tsqrt2/hybrid.parm *could you please help me to know which part is not complete, Thanks, zhian*. *

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Re: [ALPS-users] tebd will not be built (Matthias Troyer)
by Cristian Degli Esposti Boschi 03 Jun '11

03 Jun '11

> Did you specify a Fortran-90 compiler? I guess so, at least I installed gfortran (4.4) via the Debian procedure. However, now I am worried about these two things: 1) (from the installation guidelines on the ALPS website) The tebd code requires a fortran compiler and that HDF5 be built with the --enable-fortran configure option. Will this be the case with Debian's gfortran? How to check a posteriori in HDF5 in my machine has been built with the --enable-fortran option? 2) what is the role of the two scripts $ $HOME/src/alps2/script/cmake.sh $HOME/opt $HOME/tmp $ $HOME/src/alps2/script/hdf5.sh $HOME/opt $HOME/tmp if all the dependent libraries are already ok, are these scripts necessary? Thanks again for your help. Cristian On 05/26/2011 12:00 PM, comp-phys-alps-users-request(a)lists.phys.ethz.ch wrote: > 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. tebd will not be built (Cristian Degli Esposti Boschi) > 2. Re: tebd will not be built (Matthias Troyer) > 3. transverse Ising model with DMRG (shuai cui) -- Cristian Degli Esposti Boschi CNR-IMM, Sezione di Bologna, via Gobetti, 101, 40129, Bologna, Italia tel. ++39 051 6399152, fax ++39 051 6399216 degliesposti -AT- bo.imm.cnr.it

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Define two-site spin correlation and controll the output in DMRG simulation
by 潘丽华 02 Jun '11

02 Jun '11

Dear ALPS users and developers, I am now studying the properties of the frustated Heisenberg spin chain. And the correlation functions is considered. The calculation result give (N+1)^2 terms of the two-sites' correlation value. Maybe we are interested in the result about C(l)=<Sz(N+2-l/2)Sz(N/2+l/2)>. I'd like to ask for your help. Can we modify the file /ALPS/alps-application/dmrg/dmrg/dmrg.c to get just the <Sz(N+2-l/2)Sz(N/2+l/2)> result? Or if there is another way to do so? The main reason we do not like the available one is that we find hat the output data of a single program is huge. So I'd like to consult you that if there's some other method to reduce the output data of the program? Thank you in advance for your time and effort to response. Best Regards! Your Sincerely, Pan Lihua

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