November 2016 - Comp-phys-alps-users

Trouble installing ALPS with VisTrails on Win 7
by De Nicola, Stefano 15 Nov '16

15 Nov '16

Dear all, I'm having trouble installing ALPS and VisTrails on Win7. Here is a detailed list of what I did and what didn't work: Installed VisTrails 2.2.4 from https://www.vistrails.org/index.php/Downloads Installed ALPS2.2b3 binary from http://alps.comp-phys.org/mediawiki/index.php/Download_and_install_ALPS_2 Installed ALPS-vistrails-2.2.b3 binary from http://alps.comp-phys.org/mediawiki/index.php/Download_and_install_ALPS_2 Added ALPS to environment variables from control panel (it wasn't possible to do it directly during installation, the installer complained about the "path being too long") as : Variable Name: ALPS Variable value: C:\Program Files\ALPS\bin Opened C:\Program Files\ALPS\tutorials\intro-01-basics with vistrails The program seems to initialize correctly, then I get: Critical error: error changing version (I get this message twice) The full error message reads: InvalidPipeline: Pipeline has errors. Please see the detailed message for more information. Missing package: org.comp-phys.alps If, within vistrails, I try to enable ALPS from preferences/packages, get: Initialization of package "ALPS" failed. The full error message reads: InitializationFailed: Package 'ALPS' failed to initialize because of the following exceptions: Traceback (most recent call last): File "C:\Program Files\VisTrails\vistrails\core\modules\module_registry.py", line 1635, in initialize_package package.initialize() File "C:\Program Files\VisTrails\vistrails\core\modules\package.py", line 429, in initialize __import__(name, globals(), locals(), []) File "C:\Program Files\VisTrails\vistrails\core\packagemanager.py", line 266, in _import_override package_importing_directly=False) File "C:\Program Files\VisTrails\vistrails\core\modules\package.py", line 310, in import_override res = orig_import(name, globals, locals, fromlist, level) File "C:\Program Files\VisTrails\vistrails\packages\alps\init.py", line 22, in <module> import applications File "C:\Program Files\VisTrails\vistrails\core\packagemanager.py", line 257, in _import_override package_importing_directly=True) File "C:\Program Files\VisTrails\vistrails\core\modules\package.py", line 310, in import_override res = orig_import(name, globals, locals, fromlist, level) File "C:\Program Files\VisTrails\vistrails\packages\alps\applications.py", line 19, in <module> import tools File "C:\Program Files\VisTrails\vistrails\core\packagemanager.py", line 257, in _import_override package_importing_directly=True) File "C:\Program Files\VisTrails\vistrails\core\modules\package.py", line 310, in import_override res = orig_import(name, globals, locals, fromlist, level) File "C:\Program Files\VisTrails\vistrails\packages\alps\tools.py", line 18, in <module> from packages.HTTP.init import HTTPFile File "C:\Program Files\VisTrails\vistrails\core\packagemanager.py", line 257, in _import_override package_importing_directly=True) File "C:\Program Files\VisTrails\vistrails\core\modules\package.py", line 331, in import_override res = orig_import(name, globals, locals, fromlist, level) ImportError: No module named HTTP.init Time: 2016-11-15 10:03:15,427 Location: C:\Program Files\VisTrails\vistrails\gui\preferences.py, line 326 Thank you in advance, kind regards Stefano

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Dipolar interaction
by Hocine Ahmed 11 Nov '16

11 Nov '16

Hello everybodyI need to introduce a dipolar interaction in my one dimensional sustem.How can I do this....?Best regardsHocine ------------------------------------------------------------------------- Mr Hocine Ahmed LABORATORY FOR THEORETICAL PHYSICS AND MATERIAL PHYSICS HASSIBA BENBOUALI UNIVERSITY BP. 151, 02000 CHLEF, ALGERIA Tel:+213790974582 ; mail: ah.hocine(a)univ-chlef.dz

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reduced density matrices eigenvalues
by Robertson Esperanza 03 Nov '16

03 Nov '16

Hello, Thank you for replying to my previous inquiries. For now, I'm looking at the von neumann entropy of some variation of the Hubbard Hamiltonian, and I'm using the mps_optim application. Since the von Neumann entropy can be calculated, will I be able to access the eigenvalues of the reduced density matrices? If yes, how can I do that? I would like to also do the same thing using the exact diagonalization, but there is no function, as far as I know, to calculate the non Neumann entropy. How can I access the eigenvalued of the reduced density matrices using the ALPS application for exact diagonalization? Regards, Robbie

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DMRG code
by Julien 02 Nov '16

02 Nov '16

Hello ALPS community, First, sorry for my English and for the trivial question that I'm going to ask you. I already made the tutorial on the S=(1/2, 1) antiferromagnetic Heisenberg chain where I found the correlation function and the gap in the thermodynamic limit (for S = 1). Now, I'm trying to do the same thing for the S=1/2 ferromagnetic Heisenberg chain but I guess I made a mistake when we have to specify the different parameters. Here is what I wrote in my computer code : parms.append({ 'LATTICE' : 'open chain lattice', 'MODEL' : 'spin', 'CONSERVED_QUANTUMNUMBERS' : 'N,Sz', 'Sz_total' : 0, 'J' : -1, 'SWEEPS' : 4, 'NUMBER_EIGENVALUES' : 1, 'L' : 32, 'MAXSTATES' : 20, 'MEASURE_CORRELATIONS[Diagonal spin correlations]' : 'Sz', }) but the result is completely wrong. I only modify the sign of the coupling constant compared to the antiferromagnetic case. Thank you in advance for your help, Best regards, Julien

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MPI problem
by Tadeusz Wasiutyński 02 Nov '16

02 Nov '16

2016-10-31 12:00 GMT+01:00 <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. MPI problem (Tadeusz Wasiuty?ski) > 2. Re: MPI problem (Michele Dolfi) > > > ---------- Wiadomość przekazana dalej ---------- > From: "Tadeusz Wasiutyński" <tadeusz.wasiutynski(a)gmail.com> > To: comp-phys-alps-users(a)lists.phys.ethz.ch > Cc: > Date: Sat, 29 Oct 2016 21:42:49 +0200 > Subject: [ALPS-users] MPI problem > Hello, > I met the problem on my CENTOS 7 installed on station with 24 threads. > After: > > ~/opt/bin/cmake -D Boost_ROOT_DIR:PATH=~/alps-2.2.b4-src-with-boost/boost/ > -D MPI_C_LIBRARIES=/usr/lib64/openmpi/libmpi.so -D > MPI_C_INCLUDE_PATH=/usr/lib64/openmpi/include/ -D > MPI_CXX_INCLUDE_PATH=/usr/lib64/openmpi/include -D > LPSolve_LIBRARY=/usr/lib64/liblpsolve55.so -D LPSolve_INCLUDE_DIR=/usr/include/lpsolve/ > -D HDF5_LIBRARIES=~/opt/lib/libhdf5.so -D HDF5_INCLUDE_DIR=~/opt/include/ > -D SZIP_LIBRARIES=/usr/lib64/lib/libsz.so -D SZIP_INCLUDE_DIRS=/usr/lib64/include/ > ~/alps-2.2.b4-src-with-boost/alps/ > > I receive: > > ---- Compiler version: c++ (GCC) 4.8.5 20150623 (Red Hat 4.8.5-4) > -- Build type: Release > -- Python interpreter /usr/bin/python > -- Python interpreter ok : version 2. PYTHON_INCLUDE_DIRS = > /usr/include/python2.7 > -- PYTHON_NUMPY_INCLUDE_DIR = /usr/lib64/python2.7/site- > packages/numpy/core/include > -- PYTHON_SITE_PKG = /usr/lib/python2.7/site-packages > -- PYTHON_LIBRARY = /usr/lib64/python2.7/config/libpython2.7.so > -- PYTHON_EXTRA_LIBS =-lpthread -ldl -lutil > -- PYTHON_LINK_FOR_SHARED = -Xlinker -export-dynamic > -- ALPS version: 2.2.b4 > -- Looking for Boost Source > -- Found Boost Source: /home/twasiutynsk/alps-2.2.b4-src-with-boost/boost > -- Boost Version: 1_58_0 > -- Adding Boost dir: /home/twasiutynsk/alps-2.2.b4-src-with-boost/boost > -- MPI compiler was /usr/lib64/openmpi/bin/mpicxx > -- Falling back to CMake provied LAPACK/BLAS detection. > -- A library with BLAS API found. > -- A library with BLAS API found. > -- A library with LAPACK API found. > -- SQLite Library: not found > -- Could NOT find SZIP (missing: SZIP_LIBRARIES SZIP_INCLUDE_DIRS) > -- HDF5 without THREADSAFE mode. ALPS will ensure thread safety by HDF5 > running sequentially. > -- Python interpreter /usr/bin/python > -- Python interpreter ok : version 2.7.5 > -- PYTHON_INCLUDE_DIRS = /usr/include/python2.7 > -- PYTHON_NUMPY_INCLUDE_DIR = /usr/lib64/python2.7/site- > packages/numpy/core/include > -- PYTHON_SITE_PKG = /usr/lib/python2.7/site-packages > -- PYTHON_LIBRARY = /usr/lib64/python2.7/config/libpython2.7.so > -- PYTHON_EXTRA_LIBS =-lpthread -ldl -lutil > -- PYTHON_LINK_FOR_SHARED = -Xlinker -export-dynamic > -- Numpy include in /usr/lib64/python2.7/site-packages/numpy/core/include > -- ALPS XML dir is /opt/alps/lib/xml > -- HDF5 without THREADSAFE mode. ALPS will ensure thread safety by HDF5 > running sequentially. > -- MPS: enabling NU1 symmetry. > -- HDF5 without THREADSAFE mode. ALPS will ensure thread safety by HDF5 > running sequentially. > -- tebd will not be built > -- HDF5 without THREADSAFE mode. ALPS will ensure thread safety by HDF5 > running sequentially. > -- Configuring done > -- Generating done > -- Build files have been written to: /home/twasiutynsk/build > > in ccmake I see MPI ON. make and make tests (all passed) go smoothly. In > tutorial runs I see however mess with MPI=24 while everything goes OK with > MPI=1. > Is something wrong in my HDF5? > > In docker hub I found dolfim/alps but could not run probably because of > some path problems. Anyone did it successfully? > Regards > > > -- > Tadeusz Wasiutyński > > > -- > Tadeusz Wasiutyński > > > ---------- Wiadomość przekazana dalej ---------- > From: Michele Dolfi <dolfim(a)phys.ethz.ch> > To: comp-phys-alps-users(a)lists.phys.ethz.ch > Cc: > Date: Mon, 31 Oct 2016 11:11:51 +0100 > Subject: Re: [ALPS-users] MPI problem > The configuration seems fine and the hdf5 message are not related to the > MPI execution. > > Can you clarify a bit what you mean by “see a mess”? How do you run the > mpi application? > > > Michele > > -- > ETH Zurich > Michele Dolfi > Institute for Theoretical Physics > HIT G 32.4 > Wolfgang-Pauli-Str. 27 > 8093 Zurich > Switzerland > > dolfim(a)phys.ethz.ch > www.itp.phys.ethz.ch > > +41 44 633 78 56 phone > +41 44 633 11 15 fax > > > > > > On Oct 29, 2016, at 9:42 PM, Tadeusz Wasiutyński < > tadeusz.wasiutynski(a)gmail.com> wrote: > > Hello, > I met the problem on my CENTOS 7 installed on station with 24 threads. > After: > > ~/opt/bin/cmake -D Boost_ROOT_DIR:PATH=~/alps-2.2.b4-src-with-boost/boost/ > -D MPI_C_LIBRARIES=/usr/lib64/openmpi/libmpi.so -D > MPI_C_INCLUDE_PATH=/usr/lib64/openmpi/include/ -D > MPI_CXX_INCLUDE_PATH=/usr/lib64/openmpi/include -D > LPSolve_LIBRARY=/usr/lib64/liblpsolve55.so -D LPSolve_INCLUDE_DIR=/usr/include/lpsolve/ > -D HDF5_LIBRARIES=~/opt/lib/libhdf5.so -D HDF5_INCLUDE_DIR=~/opt/include/ > -D SZIP_LIBRARIES=/usr/lib64/lib/libsz.so -D SZIP_INCLUDE_DIRS=/usr/lib64/include/ > ~/alps-2.2.b4-src-with-boost/alps/ > > I receive: > > ---- Compiler version: c++ (GCC) 4.8.5 20150623 (Red Hat 4.8.5-4) > -- Build type: Release > -- Python interpreter /usr/bin/python > -- Python interpreter ok : version 2. PYTHON_INCLUDE_DIRS = > /usr/include/python2.7 > -- PYTHON_NUMPY_INCLUDE_DIR = /usr/lib64/python2.7/site- > packages/numpy/core/include > -- PYTHON_SITE_PKG = /usr/lib/python2.7/site-packages > -- PYTHON_LIBRARY = /usr/lib64/python2.7/config/libpython2.7.so > -- PYTHON_EXTRA_LIBS =-lpthread -ldl -lutil > -- PYTHON_LINK_FOR_SHARED = -Xlinker -export-dynamic > -- ALPS version: 2.2.b4 > -- Looking for Boost Source > -- Found Boost Source: /home/twasiutynsk/alps-2.2.b4-src-with-boost/boost > -- Boost Version: 1_58_0 > -- Adding Boost dir: /home/twasiutynsk/alps-2.2.b4-src-with-boost/boost > -- MPI compiler was /usr/lib64/openmpi/bin/mpicxx > -- Falling back to CMake provied LAPACK/BLAS detection. > -- A library with BLAS API found. > -- A library with BLAS API found. > -- A library with LAPACK API found. > -- SQLite Library: not found > -- Could NOT find SZIP (missing: SZIP_LIBRARIES SZIP_INCLUDE_DIRS) > -- HDF5 without THREADSAFE mode. ALPS will ensure thread safety by HDF5 > running sequentially. > -- Python interpreter /usr/bin/python > -- Python interpreter ok : version 2.7.5 > -- PYTHON_INCLUDE_DIRS = /usr/include/python2.7 > -- PYTHON_NUMPY_INCLUDE_DIR = /usr/lib64/python2.7/site- > packages/numpy/core/include > -- PYTHON_SITE_PKG = /usr/lib/python2.7/site-packages > -- PYTHON_LIBRARY = /usr/lib64/python2.7/config/libpython2.7.so > -- PYTHON_EXTRA_LIBS =-lpthread -ldl -lutil > -- PYTHON_LINK_FOR_SHARED = -Xlinker -export-dynamic > -- Numpy include in /usr/lib64/python2.7/site-packages/numpy/core/include > -- ALPS XML dir is /opt/alps/lib/xml > -- HDF5 without THREADSAFE mode. ALPS will ensure thread safety by HDF5 > running sequentially. > -- MPS: enabling NU1 symmetry. > -- HDF5 without THREADSAFE mode. ALPS will ensure thread safety by HDF5 > running sequentially. > -- tebd will not be built > -- HDF5 without THREADSAFE mode. ALPS will ensure thread safety by HDF5 > running sequentially. > -- Configuring done > -- Generating done > -- Build files have been written to: /home/twasiutynsk/build > > in ccmake I see MPI ON. make and make tests (all passed) go smoothly. In > tutorial runs I see however mess with MPI=24 while everything goes OK with > MPI=1. > Is something wrong in my HDF5? > > In docker hub I found dolfim/alps but could not run probably because of > some path problems. Anyone did it successfully? > Regards > > > -- > Tadeusz Wasiutyński > > > -- > Tadeusz Wasiutyński > > > ---- > Comp-phys-alps-users Mailing List for the ALPS Project > http://alps.comp-phys.org/ > > List info: https://lists.phys.ethz.ch//listinfo/comp-phys-alps-users > Archive: https://lists.phys.ethz.ch//pipermail/comp-phys-alps-users > > Unsubscribe by writing a mail to comp-phys-alps-users-leave@ > lists.phys.ethz.ch. > > > > ---- > Comp-phys-alps-users Mailing List for the ALPS Project > http://alps.comp-phys.org/ > > List info: https://lists.phys.ethz.ch//listinfo/comp-phys-alps-users > Archive: https://lists.phys.ethz.ch//pipermail/comp-phys-alps-users > > Unsubscribe by writing a mail to comp-phys-alps-users-leave@ > lists.phys.ethz.ch. > When I run e.g. tutorial7a.py : .......................... #pyalps.runApplication('spinmc',input_file,Tmin=5) # use the following instead if you have MPI pyalps.runApplication('spinmc',input_file,Tmin=5,MPI=24) pyalps.evaluateSpinMC(pyalps.getResultFiles(prefix='parm7a')) ................................. result is different when MPI=1, 2, 8, 12, 24. I figured out that some temperatures are missed in result file. For temperatures well done all tasks have: ...out.run1 while the missed have more (run1, run2 and so on ). Finally while magnetization is collected from all temperatures, susceptibility and specific heat and Binder cumulants only from those which have only run1. Only MPI=1 gives full result. BTW it seems that for linear chain problem does not exist (Ising, Heisenberg, spinmc, loop). Tadeusz -- Tadeusz Wasiutyński

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