- Comp-phys-alps-users - lists.phys.ethz.ch

sparsediag on lattice with different edge types
by Valentin Sinitsyn 24 Mar '15

24 Mar '15

Hi all, I'm trying to do exact diagonalization (with sparsediag) for a spin tube (see lattice description below). Everything goes fine, but energy I get is about twice higher (by absolute value) than expected (I can treat small lattices with other means). This looks suspiciously similar to [1], but that message was left unanswered for two years. Am I doing anything wrong or is this a bug in sparsediag? For the latter, I can help with debugging. Thank you in advance! 1. https://lists.phys.ethz.ch/pipermail/comp-phys-alps-users/2013/002100.html Params file: LATTICE_LIBRARY="./my_lattice.xml" LATTICE="ladder" W=4 MODEL="spin"; CONSERVED_QUANTUMNUMBERS="Sz"; TRANSLAION_SYMMETRY=false; local_S=1/2; J1=1.0; J2=-0.0625; J3=-0.125; Sz_total=0 {L=6} Sz_total=1 {L=6} Lattice description is as follows: <LATTICES> <LATTICE name="square lattice" dimension="2"> <PARAMETER name="a" default="1"/> <BASIS><VECTOR>a 0</VECTOR><VECTOR>0 a</VECTOR></BASIS> </LATTICE> <FINITELATTICE name="rectangular half-open" dimension="2"> <LATTICE ref="square lattice"/> <EXTENT dimension="1" size="L"/> <EXTENT dimension="2" size="W"/> <BOUNDARY dimension="1" type="open"/> <BOUNDARY dimension="2" type="periodic"/> </FINITELATTICE> <UNITCELL name="nnn" dimension="2"> <VERTEX/> <EDGE type="1"> <SOURCE vertex="1"/> <TARGET vertex="1" offset="1 0"/> </EDGE> <EDGE type="2"> <SOURCE vertex="1"/> <TARGET vertex="1" offset="0 2"/> </EDGE> <EDGE type="3"> <SOURCE vertex="1"/> <TARGET vertex="1" offset="0 1"/> </EDGE> </UNITCELL> <LATTICEGRAPH name="ladder"> <FINITELATTICE ref="rectangular half-open"/> <UNITCELL ref="nnn"/> </LATTICEGRAPH> </LATTICES> -- Regards, Valentine Sinitsyn

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MPS with odd number of sites
by Amir M.Aghaei 23 Mar '15

23 Mar '15

Hi, Is it possible to use odd number of sites with the MPS code? I am getting the following error when I change the number of sites from 8 to 7 using the tutorial file (with almost no change but changing the lattice and lattice libraries, lattice and python files are attached in case you want to reproduce): Running task 1. > This binary contains symmetries: nu1 > MAQUIS repo r4143 > Temporary storage is disabled > site_types: 0 0 0 0 0 0 0 > phys[0]: |( <1,0,0,0,0,0>: 1 )( <-1,0,0,0,0,0>: 1 )| > Right end: <0,0,0,0,0,0> > MPS initialization has finished... > Expecting 0 states to orthogonalize to. > Boundaries are partially initialized... > Boundaries are fully initialized... > Done init_left_right > TSMPOTensor: 1x5, 5 operators, 8 tags > TSMPOTensor: 5x5, 8 operators, 11 tags > TSMPOTensor: 5x5, 9 operators, 11 tags > TSMPOTensor: 5x5, 9 operators, 11 tags > TSMPOTensor: 5x5, 9 operators, 11 tags > TSMPOTensor: 5x1, 5 operators, 8 tags > Total number of tags: 60 > > Sweep 0, optimizing sites 0 and 1 > Exception thrown: > vector::_M_fill_insert > The group '/spectrum' does not exist. > regards, Amir

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Building ALPS from source
by Tadeusz Wasiutyński 19 Mar '15

19 Mar '15

Some time ago I have installed alps-2.2.b3-r7462 on desktop running Fedora 21. Everything went smoothly. Now I wanted to do the same on the other comp. Again seems that cmake went properly, however make collapses at 19%. What is the reason? I assume that the alps2.2.b3-r7462 is the same. regards Tadeusz Wasiutyński

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Measuring correlations only between some, given, sites
by Amir M.Aghaei 09 Mar '15

09 Mar '15

Hi, I have gone through the tutorial and the mailing list archive but I was unable to find whether it is possible to measure the correlation only between some sites of the lattice under study, say about O(n) of possible correaltions not every possible 2 sites in the lattice which is about O(n^2) and is definitely a waste of calculations in my case. So, is there any way that I can give a list (of two sites) to the program? If not, can you think of a very easy workaround? My main interest right now is the new DMRG MPS code, so even if there is any MPS specific technique that I can use I would be happy to hear about it. Bests, Amir

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hdf5 outpute
by bondnina 04 Mar '15

04 Mar '15

Dear Matthias and others! Again need your help. So finally I have performed installation on our cluster. Everything works fine!!! I have run tutorial mps-05-bhquench. I have got lots of results h5 files. But watching them in the viewer is not so user-friendly. Is there any tutorial how to decrypt the output. Best, Nina -- Yours sincerely, Nina Bondarenko 1024R/EAC56154 9F6C DDF8 6873 5D19 FF9A 600E 46A4 42BE EAC5 6154

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pyalps lybrary
by bondnina 14 Feb '15

14 Feb '15

Dear all alps users and developers. Is somewhere available for download pyalps library tutorial which is more detailed than one below. Sorry, if question is very trivial. http://alps.comp-phys.org/mediawiki/index.php/Documentation:The_palps_Pytho… And also one more small question. Which version of python is preferable. I got strange errors while compiling Alps2.2.0b3 on a super-computing cluster. Now straggling with the correct parallel compilation. -- Yours sincerely, Nina Bondarenko 1024R/EAC56154 9F6C DDF8 6873 5D19 FF9A 600E 46A4 42BE EAC5 6154

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CMake error when building ALPS 2.1.1
by Guilhem Boeris 06 Feb '15

06 Feb '15

Dear all, I'm trying to build ALPS 2.1.1 with the Intel compiler on a HPC, but I get errors when I run cmake. 1) I run cmake with the command C=icc CXX=icpc cmake -D Boost_ROOT_DIR:PATH=/home/boeris/lib/boost-1.49.0 -DCMAKE_INSTALL_PREFIX=/home/boeris/lib/alps-2.1.1 -D MPI_C=mpicc -D MPI_CXX=mpicxx -D MPI_C_LIBRARIES=/opt/software/intel/impi/5.0.1.035/lib64/lib/libmpi.a -D MPI_CXX_LIBRARIES=/opt/software/intel/impi/5.0.1.035/lib64/libmpicxx.so -D FFTW_LIBRARIES=/opt/software/libraries/fftw3/3.3.4/lib/libfftw3.a -D FFTW_INCLUDE_DIR=/opt/software/libraries/fftw3/3.3.4/include -D HDF5_hdf5_LIBRARY_DEBUG= -D HDF5_hdf5_hl_LIBRARY_DEBUG= -D HDF5_m_LIBRARY_DEBUG= -D HDF5_rt_LIBRARY_DEBUG= -D HDF5_z_LIBRARY_DEBUG= -D SZIP_LIBRARIES=/opt/software/libraries/szip/2.1/lib/libsz.so -D SZIP_INCLUDE_DIRS=/opt/software/libraries/szip/2.1/include -D LAPACK_64_BIT=ON /home/boeris/lib/alps-2.1.1-r6176-src-with-boost/alps I set variables like HDF5_hdf5_LIBRARY_DEBUG to empty strings to avoid errors, as recommended in a previous post (https://lists.phys.ethz.ch/pipermail/comp-phys-alps-users/2013/002300.html) 2) I get errors telling me that variables like MPI_C_LIBRARIES or SZIP_LIBRARIES are missing, even if I tried to define them in the command above. The full output of cmake is copied at the end of the message. I would really appreciate some help ! Regards. ------------ CMAKE OUTPUT ------------ CMake Error: Could not open file for write in copy operation /CMakeSystem.cmake.tmp CMake Error: : System Error: Permission denied CMake Error at /usr/share/cmake/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 Intel 15.0.0.20140723 -- The CXX compiler identification is Intel 15.0.0.20140723 -- Check for working C compiler: /opt/software/intel/composer_xe_2015.0.090/bin/intel64/icc -- Check for working C compiler: /opt/software/intel/composer_xe_2015.0.090/bin/intel64/icc -- works -- Detecting C compiler ABI info -- Detecting C compiler ABI info - done -- Check for working CXX compiler: /opt/software/intel/composer_xe_2015.0.090/bin/intel64/icpc -- Check for working CXX compiler: /opt/software/intel/composer_xe_2015.0.090/bin/intel64/icpc -- works -- Detecting CXX compiler ABI info -- Detecting CXX compiler ABI info - done -- Build type: Release -- Python interpreter /opt/software/tools/python/2.7.8/bin/python -- Python interpreter ok : version 2.7.8 -- PYTHON_INCLUDE_DIRS = /opt/software/tools/python/2.7.8/include/python2.7 -- PYTHON_NUMPY_INCLUDE_DIR = /opt/software/tools/python/2.7.8/lib/python2.7/site-packages/numpy/core/include -- PYTHON_SITE_PKG = /opt/software/tools/python/2.7.8/lib/python2.7/site-packages -- PYTHON_LIBRARY = /opt/software/tools/python/2.7.8/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/boeris/lib/boost-1.49.0 -- Boost Version: 1_49_0 -- Could NOT find MPI_C (missing: MPI_C_LIBRARIES) -- Could NOT find MPI_CXX (missing: MPI_CXX_LIBRARIES) -- MPI compiler was -- The Fortran compiler identification is Intel -- Check for working Fortran compiler: /opt/software/intel/composer_xe_2015.0.090/bin/intel64/ifort -- Check for working Fortran compiler: /opt/software/intel/composer_xe_2015.0.090/bin/intel64/ifort -- works -- Detecting Fortran compiler ABI info -- Detecting Fortran compiler ABI info - done -- Checking whether /opt/software/intel/composer_xe_2015.0.090/bin/intel64/ifort supports Fortran 90 -- Checking whether /opt/software/intel/composer_xe_2015.0.090/bin/intel64/ifort supports Fortran 90 -- yes Falling back to CMake provied LAPACK/BLAS detection. -- Looking for include file pthread.h -- Looking for include file pthread.h - found -- Looking for pthread_create -- Looking for pthread_create - not found -- Looking for pthread_create in pthreads -- Looking for pthread_create in pthreads - not found -- Looking for pthread_create in pthread -- Looking for pthread_create in pthread - found -- Found Threads: TRUE -- Looking for Fortran sgemm -- Looking for Fortran sgemm - found -- A library with BLAS API found. -- A library with BLAS API found. -- Looking for Fortran cheev -- Looking for Fortran cheev - found -- A library with LAPACK API found. -- SQLite Library: not found -- Found FFTW: /opt/software/libraries/fftw3/3.3.4/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: debug;optimized;/usr/lib64/libhdf5_hl.so;/usr/lib64/libhdf5.so;/usr/lib64/libz.so;/usr/lib64/librt.so;/usr/lib64/libm.so -- HDF5: /usr/include debug;optimized;/usr/lib64/libhdf5_hl.so;/usr/lib64/libhdf5.so;/usr/lib64/libz.so;/usr/lib64/librt.so;/usr/lib64/libm.so HDF5_DLL-NOTFOUND;HDF5_HL_DLL-NOTFOUND -- Python interpreter /opt/software/tools/python/2.7.8/bin/python -- Python interpreter ok : version 2.7.8 -- PYTHON_INCLUDE_DIRS = /opt/software/tools/python/2.7.8/include/python2.7 -- PYTHON_NUMPY_INCLUDE_DIR = /opt/software/tools/python/2.7.8/lib/python2.7/site-packages/numpy/core/include -- PYTHON_SITE_PKG = /opt/software/tools/python/2.7.8/lib/python2.7/site-packages -- PYTHON_LIBRARY = /opt/software/tools/python/2.7.8/lib/python2.7/config/libpython2.7.a -- PYTHON_EXTRA_LIBS =-lpthread -ldl -lutil -- PYTHON_LINK_FOR_SHARED = -Xlinker -export-dynamic -- Numpy include in /opt/software/tools/python/2.7.8/lib/python2.7/site-packages/numpy/core/include -- ALPS XML dir is /home/boeris/lib/alps-2.1.1/lib/xml -- Adding Boost dir: /home/boeris/lib/boost-1.49.0 -- HDF5: /usr/include debug;optimized;/usr/lib64/libhdf5_hl.so;/usr/lib64/libhdf5.so;/usr/lib64/libz.so;/usr/lib64/librt.so;/usr/lib64/libm.so HDF5_DLL-NOTFOUND;HDF5_HL_DLL-NOTFOUND;HDF5_DLL-NOTFOUND;HDF5_HL_DLL-NOTFOUND CMake Warning (dev) at src/alps/CMakeLists.txt:85 (target_link_libraries): Link library type specifier "debug" is followed by specifier "optimized" instead of a library name. The first specifier will be ignored. This warning is for project developers. Use -Wno-dev to suppress it. -- HDF5: /usr/include debug;optimized;/usr/lib64/libhdf5_hl.so;/usr/lib64/libhdf5.so;/usr/lib64/libz.so;/usr/lib64/librt.so;/usr/lib64/libm.so 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/boeris/lib/build-alps/CMakeFiles/CMakeOutput.log". See also "/home/boeris/lib/build-alps/CMakeFiles/CMakeError.log".

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Setting thermalization after simulation is done
by Peter Bröcker 29 Jan '15

29 Jan '15

Dear ALPS developers, I am trying to set the thermalization of observables after my simulation is done. I was able to check whether an observable admits this operation with alps::RealObsevaluator test = obs["Test"]; cout << test.can_set_thermalization() << endl; A direct check on obs["Test"] did not work. If I now want to actually set the thermalization, the code doesn't compile for any of the following possibilities: 1. test.set_thermalization(5000); 2. obs["Test"].set_thermalization(5000); 3. alps::RealObservable o = obs["Test"]; o.set_thermalization(5000) How do I do this properly? I would actually prefer to do it in python, but I couldn't yet find any info if that is possible at all. Best regards, Peter

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unable to measure entropy in MPS code
by Amir M.Aghaei 17 Jan '15

17 Jan '15

Hi, I have this problem that I can't enable the measurement of entropy (Von-Neumann entropy) in the MPS code. I am even using the the same code in Tutorial and adding only the line: 'MEASURE[Entropy]' : 1, to the parameters in python code, but still the output doesn't have the measurement of entropy in it. Same is true for EnergyVariance. It would be wonderful if someone can tell me what I am doing wrong. Regards, Amir

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the entanglement Hamiltonian
by hamid mosadegh 05 Jan '15

05 Jan '15

Dear ALPS user I want to calculate the left reduced density matrix \rho_L=Tr_R |\Phi><\Phi| using DMRG and then evaluate the entanglement spectrum consists of the energies of the entanglement Hamiltonian H_E=-Ln(\rho_L) But we don't have direct access to the many body wave function in the DMRG calculations using ALPS. Is there any way to evaluate these parameters in the DMRG calculations using ALPS? Thanks -- H. Mosadeq Shahr-e-Kord University (SKU), Shahr-e-Kord , Iran

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