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installation problem hdf5 alps 2.0.0b1
by Sebastian Huber 23 Jun '10

23 Jun '10

Hi everybody, I struggle with the installation of alps2 on our linux cluster. The problem boils down to the following error message after successful compilation: ../ALPS/bin/sparsediag: error while loading shared libraries: libhdf5.so.6: cannot open shared object file: No such file or directory which I am not sure how to relate to the following answer I get from the configuration with cmake: -- Found HDF5: /srv01/condgrp/huber/opt/lib/libhdf5.so.6 The parameters I give cmake are: ../cmake-2.8.1/bin/cmake -D BLAS_LIBRARY=/usr/lib64/libblas.so.3.0.3 -D LAPACK_LIBRARY=/usr/lib64/liblapack.so.3.0.3 -D CMAKE_INSTALL_PREFIX=$HOME/ALPS -D LAPACK_64_BIT=ON -D HDF5_INCLUDE_DIR=/srv01/condgrp/huber/opt/include/ -D HDF5_LIBRARIES=/srv01/condgrp/huber/opt/lib/libhdf5.so.6 ~/alps-2.0.0b1-r4556-src-with-boost/alps/ Any suggestion is highly appreciated! Sebi -- Sebastian Huber Department of Condensed Matter Physics The Weizmann Institute of Science 76100 Rehovot Web: http://www.weizmann.ac.il/~huber Tel: +972 8 934 4258

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Calculating the spinon gap for finite system
by Vipin Varma 22 Jun '10

22 Jun '10

Hi I'm trying to get the gap (between the Sz=0 sector and the Sz=1/2 i.e. spinon) for a spin-1/2 anti-ferromagnetic Hiesenberg chain for a finite system L=4. No eigenvalues are calculated in the output file when I perform sparse diagonalization on the below parameter file for getting the spinon eigenvalue: MODEL="spin"; LATTICE="chain lattice"; LATTICE_LIBRARY="../lattices.xml" MODEL_LIBRARY="../models.xml" CONSERVED_QUANTUMNUMBERS="Sz"; local_S=1/2; J=1; {L=4; Sz_total=1/2;} It seems only the sectors with Sz= {-1,0,+1} can be input to the Lanczos algorithm. Can somebody tell me what I am missing? Thanks, Vipin

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First ALPS 2.0 beta release
by Matthias Troyer 04 Jun '10

04 Jun '10

Dear ALPS developers and users, We have posted ALPS 2.0b1 on the web page. This is the first beta release of ALPS 2. It's main purpose is to provide a stable version to test on various platforms, and to provide feedback about installation and compilation issues. The libraries and applications should be at least as stable as version 1.3.4 was. Any potential issues should be due to dependencies on new libraries, a new build system, and support for more operating systems. Download and installation instructions are posted at http://alps.comp-phys.org/mediawiki/index.php/Download_and_install_ALPS_2 Major new features are - Use of HDF5 as binary file format for results, replacing XML for large data sets, as requested by power users. Specifying the option --write-xml with the applications will still write the old XML files in addition - Use of CMake as a new build system - Support for Windows, as requested by many users - Ready-made binary installers for MacOS X and Windows, as desired by many users. - More powerful Python based evaluation tools replacing the old XSLT based ones - Integration with the VisTrails workflow and provenance tool - A new DMFT application - Updated applications with new features - A new and more extensive set of tutorials (in progress). This first beta release will also be used to finish development on the tutorials. Progress on tutorials and documentation will be seen on the Wiki over the coming six weeks. Another beta release 2.0b2 is planned for early July, containing new features, improved documentation and tutorials and numerous improvements (and probably also bug fixes). I would like to encourage all to download and install this beta release and report problems or provide feedback on the mailing list. We want to solve all installation issued before 2.0b2 comes out. Besides all the ALPS developers I want to especially thank the following people who contributed major time to the development of new features in ALPS 2: Bela Bauer Sebastian Fuchs Lukas Gamper Jan Gukelberger Emanuel Gull Ryo Igarashi Tama Ma Olivier Parcollet Brigitte Surer Synge Todo as well as from the VisTrails team: Juliana Freire David Koop Emanuele Santos Claudio Silva For the ALPS team, Matthias Troyer

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question on the local measurement and definition
by jun wen 03 Jun '10

03 Jun '10

Dear all, I would like to ask you a question about the local measurement and definition: I want to calculate the density of fermions and the bond order cdag(i)*c(j) on each site and each bond in a spinless Hubbard model. How should I do it? Thank you very much! Best Jun Here are my files: ============================================================= lattice.xml <LATTICES> <LATTICE name="triangular lattice" dimension="2"> <PARAMETER name="a" default="1"/> <BASIS><VECTOR>a 0</VECTOR><VECTOR>a/2 a*sqrt(3)/2</VECTOR></BASIS> <RECIPROCALBASIS><VECTOR>2*pi/a -2*pi/a/sqrt(3)</VECTOR><VECTOR>0 4*pi/a/sqrt(3)</VECTOR></RECIPROCALBASIS> </LATTICE> <UNITCELL name="Kagome" dimension="2"> <VERTEX><COORDINATE>0 0</COORDINATE></VERTEX> <VERTEX><COORDINATE>0.5 0</COORDINATE></VERTEX> <VERTEX><COORDINATE>0 0.5</COORDINATE></VERTEX> <EDGE><SOURCE vertex="1"/><TARGET vertex="2"/></EDGE> <EDGE><SOURCE vertex="1"/><TARGET vertex="3"/></EDGE> <EDGE><SOURCE vertex="2"/><TARGET vertex="3"/></EDGE> <EDGE><SOURCE vertex="1"/><TARGET vertex="2" offset="-1 0"/></EDGE> <EDGE><SOURCE vertex="2"/><TARGET vertex="3" offset="1 -1"/></EDGE> <EDGE><SOURCE vertex="1"/><TARGET vertex="3" offset="0 -1"/></EDGE> </UNITCELL> <LATTICEGRAPH name = "Kagome lattice"> <FINITELATTICE> <LATTICE ref="triangular lattice"/> <PARAMETER name="W" default="L"/> <EXTENT dimension="1" size="L"/> <EXTENT dimension="2" size="W"/> <BOUNDARY type="periodic"/> </FINITELATTICE> <UNITCELL ref="Kagome"/> </LATTICEGRAPH> </LATTICES> ========================================= models.xml <MODELS> <SITEBASIS name="spinless fermion"> <QUANTUMNUMBER name="N" min="0" max="1" type="fermionic"/> <OPERATOR name="cdag" matrixelement="1"> <CHANGE quantumnumber="N" change="1"/> </OPERATOR> <OPERATOR name="c" matrixelement="1"> <CHANGE quantumnumber="N" change="-1"/> </OPERATOR> <OPERATOR name="n" matrixelement="N"/> </SITEBASIS> <SITEOPERATOR name="density" site="x"> cdag(x)*c(x) </SITEOPERATOR> <BASIS name="spinless fermion"> <SITEBASIS ref="spinless fermion"/> <CONSTRAINT quantumnumber="N" value="N_total"/> </BASIS> <BONDOPERATOR name="fermion_hop" source="x" target="y"> cdag(x)*c(y)+cdag(y)*c(x) </BONDOPERATOR> <HAMILTONIAN name="spinless fermions"> <PARAMETER name="mu" default="0"/> <PARAMETER name="t" default="1"/> <PARAMETER name="V" default="0"/> <PARAMETER name="t'" default="0"/> <PARAMETER name="V'" default="0"/> <PARAMETER name="t0" default="t"/> <PARAMETER name="t1" default="t'"/> <PARAMETER name="V0" default="V"/> <PARAMETER name="V1" default="V'"/> <BASIS ref="spinless fermion"/> <SITETERM site="i"> <PARAMETER name="mu#" default="mu"/> -mu#*n(i) </SITETERM> <BONDTERM source="i" target="j"> <PARAMETER name="t#" default="0"/> <PARAMETER name="V#" default="0"/> -t#*(cdag(i)*c(j)+cdag(j)*c(i)) + V#*n(i)*n(j) </BONDTERM> </HAMILTONIAN> </MODELS> ============================================= parameters.txt MODEL="spinless fermions"; LATTICE="Kagome lattice"; LATTICE_LIBRARY="definitions/lattices.xml" MODEL_LIBRARY="definitions/Copy of models.xml" t=1; N_total=4; W=2; L=2; CONSERVED_QUANTUMNUMBERS="N"; NUMBER_EIGENVALUES=3; MEASURE_AVERAGE[kinetic-energy]=fermion_kinetic_energy; MEASURE_AVERAGE[density]=density; {V=30;}

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questions on exact diagonalization in ALPS
by jun wen 01 Jun '10

01 Jun '10

Dear all, I wonder if I can ask you how to setup a script to run an exact diagonalization of a spinless extended Hubbard model on a 4-sites system. I have read the tutorial but still do not get the idea of how to do it. I want to specify the model Hamiltonian with a nearest neighbor hopping t, a nearest neighbor interaction strength V1 and a second nearest neighbor interaction strength V2. Where should I define these parameters? thanks a lot for your kind help! Best regards, Jun

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on the ALPS Pre-release 2.0b1 on windows
by jun wen 31 May '10

31 May '10

Hi All, I am a beginner to the ALPS and am eager to try the new version of ALPS. I installed the alps-2.0.0b1-windows.exe and then python and Vistrails and finally alps-vistrails-2.0.0b1-windows.exe. Then I tried to run the tutorial in the Exact Diagonalization in the directory C:\Program Files\ALPS\tutorials\ed-01-sparsediag, However, I could not either run tutorial1a.py or ed-01-sparsediag.vt. For the former, it said "ImportError: No module named pyalps", for later, it showed a command window and initializing something and reached "initializing abstraction "and would not proceed at all. I wonder if anyone could help me on this issue. Thanks a lot! Best, Jun

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enegy
by "Michał Maik" 14 May '10

14 May '10

Hi, I am confused as to how the energy is calculated by the different simulations. When I use the worm or SSE algorithm I receive a different answer then when I use full diagonalization. As an example I have attached a simple parameter file below. Using worm and SSE I get the same energy while full diagonalization gives me a different answer. I have not modified this file at all, just ran it with each of the programs. I would really appreciate an explanation as to why SSE and worms do not give me the same answer as full diagonalization even at such a low temperature. Thank you. Michal LATTICE_LIBRARY="/usr/local/lib/xml/lattices.xml"; LATTICE="chain lattice"; L=6 MODEL_LIBRARY="/usr/local/lib/xml/models.xml"; MODEL="boson Hubbard"; U = 1; V = 0; mu = 0; CONSERVED_QUANTUMNUMBERS = "N" Nmax = 6; N_total=6; T=0.01 SWEEPS = 1000000 THERMALIZATION = 50000 { t = 0.08; }

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IXDRDump
by Giuseppe Carleo 10 May '10

10 May '10

Hello everybody, I am currently using the ALPS (v. 1.35) scheduler in my QMC code, and everything works pretty well. Nonetheless, I've experienced an error when trying to restart my simulations on a HPC machine : "failed to read array of type double from an IXDRDump" which doesn't allow me to restart any simulation... On the other hand, on other machines the simulations are correctly restarted. I therefore assume that the way I use to restart simulations is correct, i.e. I invoke something like mpirun ./myprogram.o simulation_name.out.xml , and that the dumping of the internal variables is done correctly in my code. I think the error message should be related to some machine-specific issue. Do you have suggestions for this problem? Thank you in advance, Giuseppe

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Summer school "Simulating strongly correlated systems" September 13-17
by Matthias Troyer 05 May '10

05 May '10

Dear colleagues, I would like to ask you to bring the school for which we attach a poster to the attention of any interested student or postdoc. Best regards Matthias Troyer

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Re: [ALPS-users] BLAS/LAPACK troubles configuring ALPS 1.3.5
by Kirill Shtengel 30 Apr '10

30 Apr '10

Emanuel, Thanks a lot, but this does not seem to help. As I have mentioned in my first email, gfortran is not installed as a part of acml libraries on the cluster in question (unlike some other installations where there is a /usr/local/acml3.6.0/gfortran64 directory). On the machine I am trying to use, gfortran seems to be a part of the standard gcc installation: /usr/lib/gcc/x86_64-redhat-linux/4.1.2/libgfortran.so -> ../../../../lib64/libgfortran.so.1.0.0 Yet trying g++ -L /usr/local/acml3.6.0/gnu64/lib -L /usr/lib/gcc/x86_64-redhat- linux/4.1.2/ -lacml -lacml_mv -lgfortran test.cpp produces exactly the same output as before :-( What am I missing? Is the acml installation I am trying to use actually unusable for compiling ALPS with? Should I try installing acml libraries locally? Sorry is these questions seem dumb -- I am a novice in these matters. Best, Kirill On Thursday 29 April 2010 13:11:51 Emanuel Gull wrote: > Hi, > > this looks like you're forgetting to link gfortran. Please try > > g++ -L /usr/local/acml3.6.0/gnu64/lib -lacml -lacml_mv -lgfortran > > Emanuel > > On Apr 29, 2010, at 4:07 PM, Kirill Shtengel wrote: > > Matthias, > > > > Here is the best I seem to be able to do with your test program: > > > > [shtengel@gigio ~]$ g++ -L /usr/local/acml3.6.0/gnu64/lib -lacml > > -lacml_mv test.cpp > > /usr/local/acml3.6.0/gnu64/lib/libacml.so: undefined reference to > > `e_wsfi' /usr/local/acml3.6.0/gnu64/lib/libacml.so: undefined reference > > to `s_stop' /usr/local/acml3.6.0/gnu64/lib/libacml.so: undefined > > reference to `s_wsfe' /usr/local/acml3.6.0/gnu64/lib/libacml.so: > > undefined reference to `e_rsfi' > > /usr/local/acml3.6.0/gnu64/lib/libacml.so: undefined reference to `s_cmp' > > /usr/local/acml3.6.0/gnu64/lib/libacml.so: undefined reference to > > `e_wsfe' /usr/local/acml3.6.0/gnu64/lib/libacml.so: undefined reference > > to `z_abs' /usr/local/acml3.6.0/gnu64/lib/libacml.so: undefined reference > > to `do_lio' /usr/local/acml3.6.0/gnu64/lib/libacml.so: undefined > > reference to `s_wsle' /usr/local/acml3.6.0/gnu64/lib/libacml.so: > > undefined reference to `z_sqrt' > > /usr/local/acml3.6.0/gnu64/lib/libacml.so: undefined reference to `s_cat' > > /usr/local/acml3.6.0/gnu64/lib/libacml.so: undefined reference to > > `c_sqrt' /usr/local/acml3.6.0/gnu64/lib/libacml.so: undefined reference > > to `s_copy' /usr/local/acml3.6.0/gnu64/lib/libacml.so: undefined > > reference to `s_rsfi' /usr/local/acml3.6.0/gnu64/lib/libacml.so: > > undefined reference to `do_fio' > > /usr/local/acml3.6.0/gnu64/lib/libacml.so: undefined reference to `z_exp' > > /usr/local/acml3.6.0/gnu64/lib/libacml.so: undefined reference to `c_abs' > > /usr/local/acml3.6.0/gnu64/lib/libacml.so: undefined reference to > > `e_wsle' /usr/local/acml3.6.0/gnu64/lib/libacml.so: undefined reference > > to `c_exp' /usr/local/acml3.6.0/gnu64/lib/libacml.so: undefined reference > > to `s_wsfi' /usr/local/acml3.6.0/gnu64/lib/libacml.so: undefined > > reference to `i_indx' collect2: ld returned 1 exit status > > > > Could someone please help me with these errors? What are the libraries I > > am still missing? > > The other installation of acml/blas/lapack libraries I have mentioned in > > my previous email does not work at all: the linker reports skipping these > > libraries as incompatible (?). > > Once again, any help will be greatly appreciated! > > > > Kirill > > > > On Monday 26 April 2010 21:45:23 Matthias Troyer wrote: > >> On 27 Apr 2010, at 04:19, Kirill Shtengel wrote: > >>> Hello, > >>> > >>> I wonder if anyone can help me with configuring/compiling ALPS-1.3.5 on > >>> a Linux machine with AMD Opteron Processor. My problem seems to be > >>> making the configuration routine see either acml or blas/lapack > >>> libraries. From what I can tell, there are two separate installations > >>> of > >>> acml/blas/lapack libraries, one is the set of ACML libraries: > >> > >> ... > >> > >>> Removing references to lapack (i.e. keeping only references to blas in > >>> the configuration options makes no difference whatsoever). In either > >>> case, I am getting " LAPACK support no" at the end of the > >>> configuration process, and subsequent use of make does not compile dmrg > >>> (which is what I intend to run). > >>> Any help or suggestions will be greatly appreciated! > >> > >> Hi Kirill > >> > >> The best way to figure out how to link LAPACL/BLAS is to write a test > >> program: > >> > >> extern "C" {void dgeev_();} > >> int main() > >> { > >> dgeev_(); > >> } > >> > >> and try to compile this with the -L and -l options you mention above. > >> You'll immediately see the linker errors, which might give you hints > >> regarding libraries you need to link in addition. We can help you more > >> if you tell us what happens when you try this. > >> > >> Matthias > -- Kirill Shtengel Associate Professor Department of Physics & Astronomy UC Riverside, CA 92521 Tel: (951) 827-1058

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