Comp-phys-alps-users February 2012

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

13 participants
14 discussions

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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spimc questions
by daniel.aravena＠antares.qi.ub.edu 14 Mar '12

14 Mar '12

Dear all, I am performing some tests using spinmc (alps 2.0, Heisenberg model) on uncoupled spins changing the number and magnitude of spins at different fields. There are some things in the results that I dont understand: The energy is always zero, independently of the magnitude of the field for the uncoupled case, if I put a coupling constant, then I get as expected a non-zero value for the energy, but it is still non-dependent on field as it should be because of the Zeeman term. In a previous post, it is said that the susceptibility is calculated from magnetization^2, so it should work while M is linear on H, is there a way to get the dependence of susceptibility against field as the system approaches to saturation? And regarding the direction of field, setting H=1 means: Hz=1 Hx, Hy and Hz=1 Hx^2+Hy^2+Hz^2=1^2 , Hx=Hy=Hz or something else? I also tried to set H="0 0 1" and the program runs, but i dont know what I am actually getting. Any comments are welcome Kind Regards Daniel

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Re: [ALPS-users] Problems compiling alps-2.0.3-src-with-boost (Andreas Sindermann)
by Tadeusz Wasiutyński 08 Mar '12

08 Mar '12

Andreas, I have the same message after make on Scientific Linux 6.1, nevertheless make install goes smoothly and I did not notice any problems going through tutorial. Tadeusz 2012/2/16 <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. Problems compiling alps-2.0.3-src-with-boost (Andreas Sindermann) > > > ---------------------------------------------------------------------- > > Message: 1 > Date: Wed, 15 Feb 2012 13:19:02 +0100 (MET) > From: Andreas Sindermann <sinder(a)thp.Uni-Koeln.DE> > To: comp-phys-alps-users(a)lists.phys.ethz.ch > Subject: [ALPS-users] Problems compiling alps-2.0.3-src-with-boost > Message-ID: <201202151219.q1FCJ2p19838(a)sun80.thp.Uni-Koeln.DE> > Content-Type: text/plain; charset=US-ASCII > > > Dear all, > > I'm just about to compile and to install alps-2.0.3 from source with > libboost included. Compilation succeeds without problems. But > unfortunately 'make test' results in 4 failed tests: > > Test project /scratch/sinder/alps-2.0.3-src-with-boost/alps > Start 1: ising_single > 1/99 Test #1: ising_single .....................***Failed 0.32 sec > Start 2: loop_single > 2/99 Test #2: loop_single ......................***Failed 0.19 sec > Start 3: exchange > 3/99 Test #3: exchange .........................***Failed 0.25 sec > Start 40: lattice_constant_test > 40/99 Test #40: lattice_constant_test ............***Failed 0.08 sec > > > As I don't have experience with the Cmake building system I'd like to > ask for help where I should start looking. > > Thanks in advance > Andreas > > -- > Dr. Andreas Sindermann fon: +49 (221) 470-4201 > Institut fuer Theoretische Physik fax: +49 (221) 470-5159 > Universitaet zu Koeln > Zuelpicher Str. 77 mailto:sinder@thp.Uni-Koeln.DE > D-50937 Koeln, Germany http://www.thp.uni-koeln.de/~sinder > > > End of Comp-phys-alps-users Digest, Vol 71, Issue 9 > *************************************************** > -- Tadeusz Wasiutyński

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Fwd: Problem building ALPS under Debian stable.
by Francisco Cordobés 03 Mar '12

03 Mar '12

Dear all, I am trying to build ALPS 2.0.3 in a Debian Squeeze(stable) system. I have downloaded the .tgz with BOOST sources and I prepare for building with the following command: $cmake -D Boost_ROOT_DIR:PATH=/home/ghiret/Downloads/alps-2.0.3-src-with-boost/boost/ -DCMAKE_INSTALL_PREFIX=/home/ghiret/local/ ./alps the output of it being: """ -- CMAKE_GENERATOR: Unix Makefiles -- CMAKE_CL_64: -- CMAKE_SIZEOF_VOID_P: -- CMAKE_GENERATOR: Unix Makefiles -- CMAKE_CL_64: -- The C compiler identification is GNU -- The CXX compiler identification is GNU -- Check for working C compiler: /usr/bin/gcc -- Check for working C compiler: /usr/bin/gcc -- 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 /usr/bin/python -- Python interpreter ok : version 2.6.6 -- PYTHON_INCLUDE_DIRS = /usr/include/python2.6 -- PYTHON_NUMPY_INCLUDE_DIR = /usr/lib/pymodules/python2.6/numpy/core/include -- PYTHON_SITE_PKG = /usr/lib/python2.6/dist-packages -- PYTHON_LIBRARY = /usr/lib/python2.6/config/libpython2.6.so -- PYTHON_EXTRA_LIBS =-lssl -lcrypto -lssl -lcrypto -L/usr/lib -lz -lpthread -ldl -lutil -- PYTHON_LINK_FOR_SHARED = -Xlinker -export-dynamic -Wl,-O1 -Wl,-Bsymbolic-functions -- ALPS version: 2.0.3 -- 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/ghiret/Downloads/alps-2.0.3-src-with-boost/boost -- Boost Version: 1_47_0 -- Found MPI: /usr/lib/openmpi/lib/libmpi_cxx.so -- MPI compiler was /usr/bin/mpic++ -- The Fortran compiler identification is GNU -- Check for working Fortran compiler: /usr/bin/gfortran -- Check for working Fortran compiler: /usr/bin/gfortran -- works -- Detecting Fortran compiler ABI info -- Detecting Fortran compiler ABI info - done -- Checking whether /usr/bin/gfortran supports Fortran 90 -- Checking whether /usr/bin/gfortran supports Fortran 90 -- yes -- Looking for Fortran cblas_dgemm -- Looking for Fortran cblas_dgemm - not found -- Looking for Fortran sgemm -- Looking for Fortran sgemm - found -- Looking for include files CMAKE_HAVE_PTHREAD_H -- Looking for include files CMAKE_HAVE_PTHREAD_H - 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 -- 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: /usr/lib/libfftw3.so -- LPSolve Library: not found -- Found ZLIB: /usr/lib/libz.so -- Found SZIP: /home/ghiret/local/lib/libsz.so -- Found HDF5: debug;/home/ghiret/local/hdf5/lib/libhdf5_hl.so;/home/ghiret/local/hdf5/lib/libhdf5.so;/usr/lib/libz.so;/usr/lib/libm.so;optimized;/home/ghiret/local/hdf5/lib/libhdf5_hl.so;/home/ghiret/local/hdf5/lib/libhdf5.so;/usr/lib/libz.so;/usr/lib/libm.so -- HDF5 version found is 1.8.7 in /home/ghiret/local/hdf5/include -- Python interpreter /usr/bin/python -- Python interpreter ok : version 2.6.6 -- PYTHON_INCLUDE_DIRS = /usr/include/python2.6 -- PYTHON_NUMPY_INCLUDE_DIR = /usr/lib/pymodules/python2.6/numpy/core/include -- PYTHON_SITE_PKG = /usr/lib/python2.6/dist-packages -- PYTHON_LIBRARY = /usr/lib/python2.6/config/libpython2.6.so -- PYTHON_EXTRA_LIBS =-lssl -lcrypto -lssl -lcrypto -L/usr/lib -lz -lpthread -ldl -lutil -- PYTHON_LINK_FOR_SHARED = -Xlinker -export-dynamic -Wl,-O1 -Wl,-Bsymbolic-functions -- Numpy include in /usr/lib/pymodules/python2.6/numpy/core/include -- ALPS XML dir is /home/ghiret/local/lib/xml -- Adding Boost dir: /home/ghiret/Downloads/alps-2.0.3-src-with-boost/boost -- HDF5 version found is 1.8.7 in /home/ghiret/local/hdf5/include -- HDF5 version found is 1.8.7 in /home/ghiret/local/hdf5/include -- tebd will not be built -- Configuring done -- Generating done -- Build files have been written to: /home/ghiret/Downloads/alps-2.0.3-src-with-boost """ and when I do "make", it goes well up to 38%, where the following error stops it from continuing: " > [ 39%] Building CXX object > src/alps/CMakeFiles/alps.dir/ngs/lib/convert.cpp.o /home/ghiret/Downloads/alps-2.0.3-src-with-boost/alps/src/alps/ngs/lib/convert.cpp:48: > error: expected constructor, destructor, or type conversion before ‘std’ /home/ghiret/Downloads/alps-2.0.3-src-with-boost/alps/src/alps/ngs/lib/convert.cpp:48: > error: expected constructor, destructor, or type conversion before ‘short’ /home/ghiret/Downloads/alps-2.0.3-src-with-boost/alps/src/alps/ngs/lib/convert.cpp:49: > error: expected constructor, destructor, or type conversion before ‘std’ /home/ghiret/Downloads/alps-2.0.3-src-with-boost/alps/src/alps/ngs/lib/convert.cpp:49: > error: expected constructor, destructor, or type conversion before ‘int’ /home/ghiret/Downloads/alps-2.0.3-src-with-boost/alps/src/alps/ngs/lib/convert.cpp:50: > error: expected constructor, destructor, or type conversion before ‘std’ /home/ghiret/Downloads/alps-2.0.3-src-with-boost/alps/src/alps/ngs/lib/convert.cpp:50: > error: expected constructor, destructor, or type conversion before ‘long’ .... .... .... /home/ghiret/Downloads/alps-2.0.3-src-with-boost/alps/src/alps/ngs/lib/convert.cpp:101: error: expected constructor, destructor, or type conversion before ‘void’ /home/ghiret/Downloads/alps-2.0.3-src-with-boost/alps/src/alps/ngs/lib/convert.cpp:101: error: expected constructor, destructor, or type conversion before ‘void’ /home/ghiret/Downloads/alps-2.0.3-src-with-boost/alps/src/alps/ngs/lib/convert.cpp:101: error: expected constructor, destructor, or type conversion before ‘void’ make[2]: *** [src/alps/CMakeFiles/alps.dir/ngs/lib/convert.cpp.o] Error 1 make[1]: *** [src/alps/CMakeFiles/alps.dir/all] Error 2 make: *** [all] Error 2 " I am not sure if it is because I am doing something wrong or I am missing a library or something like that(from the output of cmake it does not look like that). I have either the recommended version(or newer) of cmake, hdf5 and everything as recommended in the ALPS website and my gcc is: " > $ gcc -v Using built-in specs. Target: x86_64-linux-gnu Configured with: ../src/configure -v --with-pkgversion='Debian 4.3.5-4' > --with-bugurl=file:///usr/share/doc/gcc-4.3/README.Bugs > --enable-languages=c,c++,fortran,objc,obj-c++ --prefix=/usr --enable-shared > --enable-multiarch --enable-linker-build-id --with-system-zlib > --libexecdir=/usr/lib --without-included-gettext --enable-threads=posix > --enable-nls --with-gxx-include-dir=/usr/include/c++/4.3 > --program-suffix=-4.3 --enable-clocale=gnu --enable-libstdcxx-debug > --enable-objc-gc --enable-mpfr --with-tune=generic > --enable-checking=release --build=x86_64-linux-gnu --host=x86_64-linux-gnu > --target=x86_64-linux-gnu Thread model: posix gcc version 4.3.5 (Debian 4.3.5-4) " and for g++ > " $ g++ -v Using built-in specs. Target: x86_64-linux-gnu Configured with: ../src/configure -v --with-pkgversion='Debian 4.4.5-8' > --with-bugurl=file:///usr/share/doc/gcc-4.4/README.Bugs > --enable-languages=c,c++,fortran,objc,obj-c++ --prefix=/usr > --program-suffix=-4.4 --enable-shared --enable-multiarch > --enable-linker-build-id --with-system-zlib --libexecdir=/usr/lib > --without-included-gettext --enable-threads=posix > --with-gxx-include-dir=/usr/include/c++/4.4 --libdir=/usr/lib --enable-nls > --enable-clocale=gnu --enable-libstdcxx-debug --enable-objc-gc > --with-arch-32=i586 --with-tune=generic --enable-checking=release > --build=x86_64-linux-gnu --host=x86_64-linux-gnu --target=x86_64-linux-gnu Thread model: posix gcc version 4.4.5 (Debian 4.4.5-8) " I apologize in advance if it is a stupid mistake of mine but I have been trying for some days and I cannot find a solution. Thank you very much in advance. Paco Cordobes

2 4

how to read results during run
by Tadeusz Wasiutyński 17 Feb '12

17 Feb '12

Dear all, when performing simulations with xml option I can read in the browser the results during the run and eventually stop the run. I do not see this possibility with option hdf5. Is there any chance to do it? As the simulations are performed on remote cluster I would like to look at the results on my pc. How can I do it without installing the whole alps package but only with alpspython? Regards Tadeusz

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Problems compiling alps-2.0.3-src-with-boost
by Andreas Sindermann 15 Feb '12

15 Feb '12

Dear all, I'm just about to compile and to install alps-2.0.3 from source with libboost included. Compilation succeeds without problems. But unfortunately 'make test' results in 4 failed tests: Test project /scratch/sinder/alps-2.0.3-src-with-boost/alps Start 1: ising_single 1/99 Test #1: ising_single .....................***Failed 0.32 sec Start 2: loop_single 2/99 Test #2: loop_single ......................***Failed 0.19 sec Start 3: exchange 3/99 Test #3: exchange .........................***Failed 0.25 sec Start 40: lattice_constant_test 40/99 Test #40: lattice_constant_test ............***Failed 0.08 sec As I don't have experience with the Cmake building system I'd like to ask for help where I should start looking. Thanks in advance Andreas -- Dr. Andreas Sindermann fon: +49 (221) 470-4201 Institut fuer Theoretische Physik fax: +49 (221) 470-5159 Universitaet zu Koeln Zuelpicher Str. 77 mailto:sinder@thp.Uni-Koeln.DE D-50937 Koeln, Germany http://www.thp.uni-koeln.de/~sinder

1 0

help
by #ABDUL MALEK BIN RAZALI# 15 Feb '12

15 Feb '12

Hi, I just changed to python and am using alps version 2.0. So, i first started the first basic tutorial using python and everything was going smoothly until i reached " result_files = pyalps.getResultFiles(prefix='parm1') ". The error message i received was: File "<stdin>", line 1, in <module> File "C:\Program Files\VisTrails\vistrails\Python27\lib\site-packages\pyalps\tools.py", line 400, in getResultFiles res = recursiveGlob(dirname, pattern) File "C:\Program Files\VisTrails\vistrails\Python27\lib\site-packages\pyalps\tools.py", line 372, in recursiveGlob ret += recursiveGlob(os.path.join(dirname, d), pattern) File "C:\Program Files\VisTrails\vistrails\Python27\lib\site-packages\pyalps\tools.py", line 370, in recursiveGlob for d in os.listdir(dirname): windowsError: [Error 5] Access is denied: '.\\Application Data/*.*' Then, i skipped over to tutorials MC-08 and got the same message when using result_files = .... May i know what is wrong here ? I use my windows command prompt with the python interpreter from vistrails. Regards, Mike

2 14

help
by #ABDUL MALEK BIN RAZALI# 12 Feb '12

12 Feb '12

Hi, I typed parameter2xml parm1a in command prompt for MC-01 and received a reply: Caught exception:Parameter parse error at "" May i know how to resolve this ? Regards

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calculate density distribution in finite temperature using "fulldiag"
by Chen Ahai 12 Feb '12

12 Feb '12

Dear all ALPS users I want to calculate the density distribution of hubbard model with external potential in finite temperature using the "fulldiag" command, the main parameters are ------------------------------------------------------------------------ ......... t=1.0 CONSERVED_QUANTUMNUMBERS="Sz,Nup,Ndown,N" MEASURE_LOCAL[n_density]=n MEASURE_LOCAL[n_up]=n_up MEASURE_LOCAL[n_down]=n_down {T=1.0} {T=10.0} ------------------------------------------------------------------------ It can get different thermodynamic quantities (e.g. free energy, specific heat) in different T, but the quantities I defined above keep the same in the two tasks. I can't find the problem in this test. Any help would be appreciated.... Thanks. Chen Ahai Department of Physics, Zhejiang Normal University Jinhua, Zhejiang Province, 321004, China e-mail: chenahaiphysics(a)gmail.com; chenahai(a)yahoo.cn

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Comp-phys-alps-users February 2012