Comp-phys-alps-users January 2014

comp-phys-alps-users@lists.phys.ethz.ch

19 participants
18 discussions

Compilation error on cluster
by Jorge López 15 Jan '14

15 Jan '14

Dear All: I am trying to compile ALPS on a cluster using a local installation. I have installed all required software, and I suppose I have told the system where to find everything, but I am having the following error message: $ cmake -D Boost_ROOT_DIR:PATH=/home/jorgext/alps-2.1.1-r6176-src-with-boost/boost/ /home/jorgext/alps-2.1.1-r6176-src-with-boost/alps/ -D BLAS_LIBRARY=/usr/lib64/libblas.so.3.0.3 -D LAPACK_LIBRARY=/usr/lib64/liblapack.so.3.0.3 -D LAPACK_64_BIT=ON -D HDF5_LIBRARIES=/home/jorgext/opt/lib/libhdf5.so.8 -D HDF5_INCLUDE_DIR=/home/jorgext/opt/include/ /home/jorgext/alps-2.1.1-r6176-src-with-boost/alps/ CMake Error: Could not open file for write in copy operation /CMakeSystem.cmake.tmp CMake Error: : System Error: Permission denied CMake Error at /home/jorgext/opt/share/cmake-2.8/Modules/CMakeDetermineSystem.cmake:182 (configure_file): configure_file Problem configuring file Call Stack (most recent call first): CMakeLists.txt:110 (include) -- The C compiler identification is GNU 4.1.2 -- The CXX compiler identification is GNU 4.1.2 -- Check for working C compiler: /usr/bin/cc -- Check for working C compiler: /usr/bin/cc -- works -- Detecting C compiler ABI info -- Detecting C compiler ABI info - done -- Check for working CXX compiler: /usr/bin/c++ -- Check for working CXX compiler: /usr/bin/c++ -- works -- Detecting CXX compiler ABI info -- Detecting CXX compiler ABI info - done -- Build type: Release -- Python interpreter /home/jorgext/opt/bin/python -- Python interpreter ok : version 2.7.5 -- PYTHON_INCLUDE_DIRS = /home/jorgext/opt/include/python2.7 -- PYTHON_NUMPY_INCLUDE_DIR = /home/jorgext/opt/lib/python2.7/site-packages/numpy/core/include -- PYTHON_SITE_PKG = /home/jorgext/opt/lib/python2.7/site-packages -- PYTHON_LIBRARY = /home/jorgext/opt/lib/python2.7/config/libpython2.7.a -- PYTHON_EXTRA_LIBS =-lpthread -ldl -lutil -- PYTHON_LINK_FOR_SHARED = -Xlinker -export-dynamic -- ALPS version: 2.1.1 -- Looking for rpc/rpc.h -- Looking for rpc/rpc.h - found -- Looking for stdarg.h -- Looking for stdarg.h - found -- Looking for sys/stat.h -- Looking for sys/stat.h - found -- Looking for sys/systeminfo.h -- Looking for sys/systeminfo.h - not found -- Looking for sys/types.h -- Looking for sys/types.h - found -- Looking for unistd.h -- Looking for unistd.h - found -- Looking for windows.h -- Looking for windows.h - not found -- Looking for C++ include valarray -- Looking for C++ include valarray - found -- Looking for Boost Source -- Found Boost Source: /home/jorgext/alps-2.1.1-r6176-src-with-boost/boost -- Boost Version: 1_49_0 -- Found MPI_C: /opt/openmpi/lib/libmpi.so;/opt/openmpi/lib/libopen-rte.so;/opt/openmpi/lib/libopen-pal.so;/usr/lib64/libdl.so;/usr/lib64/libnsl.so;/usr/lib64/libutil.so;/usr/lib64/libm.so;/usr/lib64/libdl.so -- Found MPI_CXX: /opt/openmpi/lib/libmpi_cxx.so;/opt/openmpi/lib/libmpi.so;/opt/openmpi/lib/libopen-rte.so;/opt/openmpi/lib/libopen-pal.so;/usr/lib64/libdl.so;/usr/lib64/libnsl.so;/usr/lib64/libutil.so;/usr/lib64/libm.so;/usr/lib64/libdl.so -- MPI compiler was /opt/openmpi/bin/mpicxx -- Found SQLite Library: /usr/lib64/libsqlite3.so -- Found FFTW: /usr/local/lib/libfftw3.a -- LPSolve Library: not found -- Found ZLIB: /usr/lib64/libz.so -- Could NOT find SZIP (missing: SZIP_LIBRARIES SZIP_INCLUDE_DIRS) -- Found HDF5: /home/jorgext/opt/lib/libhdf5.so.8 -- HDF5: /home/jorgext/opt/include/ /home/jorgext/opt/lib/libhdf5.so.8 HDF5_DLL-NOTFOUND;HDF5_HL_DLL-NOTFOUND -- Python interpreter /home/jorgext/opt/bin/python -- Python interpreter ok : version 2.7.5 -- PYTHON_INCLUDE_DIRS = /home/jorgext/opt/include/python2.7 -- PYTHON_NUMPY_INCLUDE_DIR = /home/jorgext/opt/lib/python2.7/site-packages/numpy/core/include -- PYTHON_SITE_PKG = /home/jorgext/opt/lib/python2.7/site-packages -- PYTHON_LIBRARY = /home/jorgext/opt/lib/python2.7/config/libpython2.7.a -- PYTHON_EXTRA_LIBS =-lpthread -ldl -lutil -- PYTHON_LINK_FOR_SHARED = -Xlinker -export-dynamic -- Numpy include in /home/jorgext/opt/lib/python2.7/site-packages/numpy/core/include -- ALPS XML dir is /opt/alps/lib/xml -- Adding Boost dir: /home/jorgext/alps-2.1.1-r6176-src-with-boost/boost -- HDF5: /home/jorgext/opt/include/ /home/jorgext/opt/lib/libhdf5.so.8 HDF5_DLL-NOTFOUND;HDF5_HL_DLL-NOTFOUND;HDF5_DLL-NOTFOUND;HDF5_HL_DLL-NOTFOUND -- HDF5: /home/jorgext/opt/include/ /home/jorgext/opt/lib/libhdf5.so.8 HDF5_DLL-NOTFOUND;HDF5_HL_DLL-NOTFOUND;HDF5_DLL-NOTFOUND;HDF5_HL_DLL-NOTFOUND -- tebd will not be built -- Configuring incomplete, errors occurred! See also "/home/jorgext/build/CMakeFiles/CMakeOutput.log". See also "/home/jorgext/build/CMakeFiles/CMakeError.log". I hope you can help me. I have attached the CMakeCache.txt file. Jorge López

3 4

MaxEnt
by tesfaye mamuye 15 Jan '14

15 Jan '14

Dear developers I'm interest on DMFT code in ALPS. I need to do analytic continuation of the CT-QMC data to real frequency. I want to use the ALPS MaxEnt code. But there is no elaborate documentation regarding MaxEnt. In .bybdoc.pdf' documentation it is pointed out that a tutorial for alps MaxEnt code will be provided elsewhere. 1. Ca someone send me the code or describe parameters, input/output files and any necessary information to run MaxEnt ? or any one who will guide me on MaxEnt? 2. How to plot the phase diagram (T Vs U) for the DMFT impurity silver

2 1

Additional DoF off the lattice
by Alex Edelman 10 Jan '14

10 Jan '14

Dear ALPS community, I am looking to simulate something with a few quantum degrees of freedom beyond those which live on the lattice. For concreteness, imagine a spin at each lattice site that can couple to a single photon mode that permeates the whole lattice, similar to the Dicke model. Naively there would seem to be no fundamental obstacle to simulating this, so I wonder if there is a natural way to do it within ALPS, or if I should be looking for a clever hack. Thank you for any help, Alex Edelman

1 0

DMRG Su(n) model
by Moreno William 08 Jan '14

08 Jan '14

Dear developers, I have written a model (who can be used as a model library) who generalize to classical Heisenberg model for fermion with spin up and down to fermion with ’n’ degrees of freedom and two particles per sites. Here is my code <MODELS> <SITEBASIS name ="SU5_m2"> <QUANTUMNUMBER name="N_1" min ="0" max ="1" type="fermionic"/> <QUANTUMNUMBER name="N_2" min ="0" max ="1" type="fermionic"/> <QUANTUMNUMBER name="N_3" min ="0" max ="(1 - N_1*N_2)" type ="fermionic"/> <QUANTUMNUMBER name="N_4" min ="(1 - N_1)*(1 - N_2)*(1 - N_3)" max ="(1 - N_1*N_2)*(1 - N_1*N_3)*(1 - N_2*N_3)" type ="fermionic"/> <QUANTUMNUMBER name="N_5" min ="2 - N_1 - N_2 - N_3 - N_4" max ="2 - N_1 - N_2 - N_3 - N_4" type ="fermionic"/> <OPERATOR name="S_1_1" matrixelement="N_1"/> <OPERATOR name="S_2_2" matrixelement="N_2"/> <OPERATOR name="S_3_3" matrixelement="N_3"/> <OPERATOR name="S_4_4" matrixelement="N_4"/> <OPERATOR name="S_5_5" matrixelement="N_5"/> <OPERATOR name="S_1_2" matrixelement="1"> <CHANGE quantumnumber="N_2" change="-1"/> <CHANGE quantumnumber="N_1" change="+1"/> </OPERATOR> <OPERATOR name="S_1_3" matrixelement="1"> <CHANGE quantumnumber="N_3" change="-1"/> <CHANGE quantumnumber="N_1" change="+1"/> </OPERATOR> <OPERATOR name="S_1_4" matrixelement="1"> <CHANGE quantumnumber="N_4" change="-1"/> <CHANGE quantumnumber="N_1" change="+1"/> </OPERATOR> <OPERATOR name="S_1_5" matrixelement="1"> <CHANGE quantumnumber="N_5" change="-1"/> <CHANGE quantumnumber="N_1" change="+1"/> </OPERATOR> <OPERATOR name="S_2_1" matrixelement="1"> <CHANGE quantumnumber="N_1" change="-1"/> <CHANGE quantumnumber="N_2" change="+1"/> </OPERATOR> <OPERATOR name="S_2_3" matrixelement="1"> <CHANGE quantumnumber="N_3" change="-1"/> <CHANGE quantumnumber="N_2" change="+1"/> </OPERATOR> <OPERATOR name="S_2_4" matrixelement="1"> <CHANGE quantumnumber="N_4" change="-1"/> <CHANGE quantumnumber="N_2" change="+1"/> </OPERATOR> <OPERATOR name="S_2_5" matrixelement="1"> <CHANGE quantumnumber="N_5" change="-1"/> <CHANGE quantumnumber="N_2" change="+1"/> </OPERATOR> <OPERATOR name="S_3_1" matrixelement="1"> <CHANGE quantumnumber="N_1" change="-1"/> <CHANGE quantumnumber="N_3" change="+1"/> </OPERATOR> <OPERATOR name="S_3_2" matrixelement="1"> <CHANGE quantumnumber="N_2" change="-1"/> <CHANGE quantumnumber="N_3" change="+1"/> </OPERATOR> <OPERATOR name="S_3_4" matrixelement="1"> <CHANGE quantumnumber="N_4" change="-1"/> <CHANGE quantumnumber="N_3" change="+1"/> </OPERATOR> <OPERATOR name="S_3_5" matrixelement="1"> <CHANGE quantumnumber="N_5" change="-1"/> <CHANGE quantumnumber="N_3" change="+1"/> </OPERATOR> <OPERATOR name="S_4_1" matrixelement="1"> <CHANGE quantumnumber="N_1" change="-1"/> <CHANGE quantumnumber="N_4" change="+1"/> </OPERATOR> <OPERATOR name="S_4_2" matrixelement="1"> <CHANGE quantumnumber="N_2" change="-1"/> <CHANGE quantumnumber="N_4" change="+1"/> </OPERATOR> <OPERATOR name="S_4_3" matrixelement="1"> <CHANGE quantumnumber="N_3" change="-1"/> <CHANGE quantumnumber="N_4" change="+1"/> </OPERATOR> <OPERATOR name="S_4_5" matrixelement="1"> <CHANGE quantumnumber="N_5" change="-1"/> <CHANGE quantumnumber="N_4" change="+1"/> </OPERATOR> <OPERATOR name="S_5_1" matrixelement="1"> <CHANGE quantumnumber="N_1" change="-1"/> <CHANGE quantumnumber="N_5" change="+1"/> </OPERATOR> <OPERATOR name="S_5_2" matrixelement="1"> <CHANGE quantumnumber="N_2" change="-1"/> <CHANGE quantumnumber="N_5" change="+1"/> </OPERATOR> <OPERATOR name="S_5_3" matrixelement="1"> <CHANGE quantumnumber="N_3" change="-1"/> <CHANGE quantumnumber="N_5" change="+1"/> </OPERATOR> <OPERATOR name="S_5_4" matrixelement="1"> <CHANGE quantumnumber="N_4" change="-1"/> <CHANGE quantumnumber="N_5" change="+1"/> </OPERATOR> </SITEBASIS> <BASIS name = "SU5_m2" > <SITEBASIS ref="SU5_m2"/> <CONSTRAINT quantumnumber="N_1" value="N_total"/> <CONSTRAINT quantumnumber="N_2" value="N_total"/> <CONSTRAINT quantumnumber="N_3" value="N_total"/> <CONSTRAINT quantumnumber="N_4" value="N_total"/> <CONSTRAINT quantumnumber="N_5" value="N_total"/> </BASIS> <HAMILTONIAN name ="SU5_m2" > <BASIS ref="SU5_m2"/> <BONDTERM source="i" target="j"> S_1_1(i)*S_1_1(j) + S_1_2(i)*S_2_1(j) + S_1_3(i)*S_3_1(j) + S_1_4(i)*S_4_1(j) + S_1_5(i)*S_5_1(j) + S_2_1(i)*S_1_2(j) + S_2_2(i)*S_2_2(j) + S_2_3(i)*S_3_2(j) + S_2_4(i)*S_4_2(j) + S_2_5(i)*S_5_2(j) + S_3_1(i)*S_1_3(j) + S_3_2(i)*S_2_3(j) + S_3_3(i)*S_3_3(j) + S_3_4(i)*S_4_3(j) + S_3_5(i)*S_5_3(j) + S_4_1(i)*S_1_4(j) + S_4_2(i)*S_2_4(j) + S_4_3(i)*S_3_4(j) + S_4_4(i)*S_4_4(j) + S_4_5(i)*S_5_4(j) + S_5_1(i)*S_1_5(j) + S_5_2(i)*S_2_5(j) + S_5_3(i)*S_3_5(j) + S_5_4(i)*S_4_5(j) + S_5_5(i)*S_5_5(j) </BONDTERM> </HAMILTONIAN> </MODELS> The problem is that the ground state energy is -622 and the first excited energy is -670 in a open chain lattice with 5 sites. Obviously somethings is wrong because the ground state energy is greater than the first excited energy. I don’t know if the min and max condition in the quantum number are correctly implemented or maybe this is not the correct way to implement the bond term? Can you help me ? Best regards, William Moreno

1 0

Hybridization expansion Solver runs longer than specified
by backes＠th.physik.uni-frankfurt.de 06 Jan '14

06 Jan '14

Dear developers, I recently checked out the newest version of the Alps code rev. 7291 and compiled the Hybridization expansion Impurity solver with the Intel compiler composer_xe_2013.3.163 on Ubuntu 12.04 LTS. My problem is that the code takes longer to exit than specified in MAX_TIME in the parameter file (SWEEPS much higher than possible in this time). I.e. MAX_TIME = 30 --> runs for 60sec MAX_TIME = 60 --> runs for 180sec MAX_TIME = 120 --> runs for 180sec MAX_TIME = 180 --> runs for 420sec MAX_TIME = 240 --> runs for 420sec Also for longer time and mpi-parallelization the behaviour is similar. With an older version checked out about 2 months ago this problem did not occur. Could you check if this problem is caused by some change in the code? Thanks, Steffen

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Re: [ALPS-users] Constraints for a unit cell (Elton Nascimento)
by Elton Nascimento 02 Jan '14

02 Jan '14

Dear Matthias Troyer You are right, but the lattice we are using shows hop energy between the two sites of the unit cell (edge type = 0) and an exchange energy between sites in adjacent cells (edge type = 1), as bellow <UNITCELL name="Nascimento" dimension="1"> <VERTEX type="0"/> <VERTEX type="0"/> <EDGE type="1"><SOURCE vertex="1"/><TARGET vertex="1" offset="1"/></EDGE> <EDGE type="1"><SOURCE vertex="2"/><TARGET vertex="2" offset="1"/></EDGE> <EDGE type="0"><SOURCE vertex="1"/><TARGET vertex="2"/></EDGE> </UNITCELL> Because of the hop energy, the particles have transition probability between the sites of the unit cell, but not between adjacent cells. This is why we need ensure the total particles of the unit cell be constant. Elton M. Nascimento

2 1

ALPS 2.2 now available in Archlinux AUR repository
by Mohammadreza Abdollahzadeh 02 Jan '14

02 Jan '14

Hi everyone, for those who use Archlinux like us! you can now install alps 2.2 from AUR repositoty: https://aur.archlinux.org/packages/alps/

1 0

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

02 Jan '14

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Comp-phys-alps-users January 2014