April 2007 - Comp-phys-alps-users

2-D heisenberg system
by John Single 06 Jul '07

06 Jul '07

Hello, I am trying to use alps version 2 to simulate a 2-D heisenberg spin ladder model with 2 different (ladder and rail) exchange strengths. In the example for a 1-D chain I changed the lattice to rectangular lattice but I guess that is not the right keyword. Is there an easy way to do this? Thanks, John

2 3

ALPS 1.3b4 released
by Matthias Troyer 30 Jun '07

30 Jun '07

I have put the current ALPS version (1.3b4) on the web. Before the final release there are only a few things that need to be fixed: * correct structure factors for non-square and non-cubic lattices * add evaluation of custom measurements to fulldiag * finalize the documentation Best regards Matthias

4 16

MPI Issues
by Niall Moran 27 Apr '07

27 Apr '07

Hi, I have built and installed ALPS 1.3b3 and am trying to get the MPI version working. I am using a simple input file (shown below) and using the dirloop_sse_mpi tool. When running this on a single processor with dirloop_sse it takes around 62 seconds for each task and does each sequentially on a single cpu. I then tried running this in parallel on 8 processors. System has PBS for batch processing. Submitted job interactively and requested a walltime of 20 minutes and 8 cpus (4 x 2 processors per node). qsub -l walltime=00:20:00 -l nodes=4:ppn=2 -I Then started simulation with mpiexec -n 8 dirloop_sse_mpi job.in.xml All the tasks seem to finish correctly however the processes remain until the walltime is up. Output is listed below. Have tried building ALPS with both gcc 3.3.3 and also pathscale 2.5 compiler along with mpich-1.2.7. The same thing happens with each. Does anyone have any ideas what is going on? Many Thanks, Niall. Parameter version of input file. --------------------------------------------------------------------------- MODEL_LIBRARY="/alps/lib/xml/models.xml" MODEL="spin"; LATICE_LIBRARY="/alps/lib/xml/lattices.xml" LATTICE="chain lattice" SWEEPS=1000; THERMALIZATION=100; WORK_FACTOR=L*SWEEPS; { L=10; T=0.1; } { L=15; T=0.15; } { L=20; T=0.2; } { L=25; T=0.05; } { L=30; T=0.05; } { L=35; T=0.3; } { L=40; T=0.05; } { L=45; T=0.05; } Output of simulation in parallel. -------------------------------------------------------------------------- Quantum Monte simulations using the generalized directed loop algorithm v. 1.1 available from http://alps.comp-phys.org/ copyright (c) 2001-2005 by Fabien Alet <alet(a)comp-phys.org>, Synge Todo <wistaria(a)comp-phys.org>, and Matthias Troyer <troyer(a)comp-phys.org> see F. Alet, S. Wessel and M. Troyer, Phys. Rev. E 71, 036706 (2005) for details. using the ALPS parallelizing scheduler copyright (c) 1994-2006 by Matthias Troyer <troyer(a)comp-phys.org>. see Lecture Notes in Computer Science, Vol. 1505, p. 191 (1998). based on the ALPS libraries version 1.3b3 available from http://alps.comp-phys.org/ copyright (c) 1994-2006 by the ALPS collaboration. Consult the web page for license details. For details see the publication: F. Alet et al., J. Phys. Soc. Jpn. Suppl., Vol. 74, 30 (2005). parsing task files ... Created a new simulation: 2 on 1 processes Created a new simulation: 3 on 1 processes Created a new simulation: 4 on 1 processes Created a new simulation: 5 on 1 processes Created a new simulation: 6 on 1 processes Created a new simulation: 7 on 1 processes Created a new simulation: 8 on 1 processes Creating a new simulation: 1 on 1 processes Created run 1 locally All processes have been assigned Checking if Simulation 1 is finished: not yet, next check in 60 seconds ( 0% done). Created run 1 locally Checking if Simulation 2 is finished: not yet, next check in 60 seconds ( 0% done). Created run 1 locally Created run 1 locally Created run 1 locally Created run 1 locally Created run 1 locally Created run 1 locally Checking if Simulation 3 is finished: not yet, next check in 60 seconds ( 0% done). Checking if Simulation 4 is finished: not yet, next check in 60 seconds ( 0% done). Checking if Simulation 5 is finished: not yet, next check in 60 seconds ( 0% done). Checking if Simulation 6 is finished: not yet, next check in 60 seconds ( 0% done). Checking if Simulation 7 is finished: not yet, next check in 60 seconds ( 0% done). Checking if Simulation 8 is finished: not yet, next check in 60 seconds ( 0% done). Checking if Simulation 2 is finished: Finished Halted Simulation 2 Checking if Simulation 1 is finished: Finished Halted Simulation 1 Assigning 2 processes No work for master process No work for 1. All processes have been assigned Checking if Simulation 3 is finished: Finished Halted Simulation 3 Checking if Simulation 4 is finished: Finished Halted Simulation 4 Checking if Simulation 5 is finished: Finished Halted Simulation 5 Checking if Simulation 6 is finished: Finished Halted Simulation 6 Assigning 5 processes No work for 5. All processes have been assigned Checking if Simulation 7 is finished: Finished Halted Simulation 7 Checking if Simulation 8 is finished: Finished Halted Simulation 8 Assigning 7 processes All processes have been assigned Checkpointing Simulation 1 Checkpointing Simulation 2 Checkpointing Simulation 3 Checkpointing Simulation 4 Checkpointing Simulation 5 Checkpointing Simulation 6 Checkpointing Simulation 7 Checkpointing Simulation 8 Finished with all tasks. WARNING : Hamiltonian has a sign problem... p7_10096: p4_error: Timeout in establishing connection to remote process: 0 rm_l_7_10098: (365.230469) net_send: could not write to fd=5, errno = 32 p7_10096: (365.234375) net_send: could not write to fd=5, errno = 32 WARNING : Hamiltonian has a sign problem... p5_12240: p4_error: Timeout in establishing connection to remote process: 0 rm_l_5_12242: (365.238281) net_send: could not write to fd=5, errno = 32 p0_29156: p4_error: net_recv read: probable EOF on socket: 1 WARNING : Hamiltonian has a sign problem... p3_12614: p4_error: Timeout in establishing connection to remote process: 0 rm_l_3_12616: (365.238281) net_send: could not write to fd=5, errno = 32 p5_12240: (373.246094) net_send: could not write to fd=5, errno = 32 p0_29156: (374.425781) net_send: could not write to fd=4, errno = 32 p3_12614: (373.250000) net_send: could not write to fd=5, errno = 32 WARNING : Hamiltonian has a sign problem... p1_29158: p4_error: net_recv read: probable EOF on socket: 1 p1_29158: (381.265625) net_send: could not write to fd=5, errno = 32

2 8

Re: [ALPS-users] Help on Ising spin monte carlo simulation
by Matthias Troyer 26 Apr '07

26 Apr '07

Dear Zhimin Xiong, A simple local update MC code for an Ising model is in the example/ scheduler directory of the ALPS libraries. Matthias Troyer On 26 Apr 2007, at 12:05, Zhimin Xiong wrote: > Dear Troyer, > > I am a graduate student at Graduate University of Chinese Academy > of Sciences, and now I just started to study the topic of spin > glasses. At the beginning, I want to have a simple code to do some > exercise and simulation, so I found your project "ALPS" and > downloaded the library and application. After my first look at it, > there are some spin models in the packages. Now my question is, > whether your codes contain the algorithm for Ising spin glass > model, if so, I will need to a careful study of these related > codes, and if not, could you please give me some suggestion on how > to get a piece of simple code for Ising spin model? Thank you in > advance! >

1 0

kagome lattice, I want to introduce
by aniket＠jncasr.ac.in 26 Apr '07

26 Apr '07

hi, I want to introduce kagome lattice. How can I do that? Please tell me in briefly. I have attached kagome lattice also. How can I check the generated lattice is kagome or not? That means I want to extract the coordinates of the lattice. I am waiting for reply. Regards, aniket

2 1

how to define own unit cell
by aniket＠jncasr.ac.in 26 Apr '07

26 Apr '07

hi , I know the procedure for writing own unit cell i.e., you have to write lattice, latticegraph, unit cell, finite lattice, and graph. But I was trying for Kagome lattice but it wasn't working. So please help me out. I am giving you unit cell for kagome. Please find attached. Description: There are 5 vertices per unit cell. There is one triangle and a line included in that. The coordinates for 5 vertices are (0,0), (a,0) ,(a/2, sqrt(3)*a/2), (a/2, 0) and (a/4, sqrt(3)*a/4). One more thing, how to extract the coordinates of any generated lattice? I am waiting for your reply. Regards, Aniket

3 7

main executable
by Niall Moran 24 Apr '07

24 Apr '07

Hi, I have just managed to get the alps 1.3b3 library and applications installed. I am new to this area so have started going through the tutorials at http://alps.comp-phys.org:16080/mediawiki-1.9.3/index.php/Tutorials:Overview. The first tutorial uses an executable called "main" in the alps bin directory to run the simulation. I do not have any executable in the bin directory by that name. I am guessing that it might be that the name has changed from version 1.2.2. Can anyone tell me the name of the equivalent executable if this is the case? Thanks, Niall.

2 2

Compiling Alps 1.2.2
by Niall Moran 23 Apr '07

23 Apr '07

Hi, I am trying to build and install alps on a distributed memory cluster. I am using the mpich with gcc-3.3.3. Boost 1.33_1 has been installed in /usr/local/. The configure command I am using is. ./configure --with-mpi-incdir=/usr/local/mpich/gcc/include/ --with-mpi-libdir=/usr/local/mpich/gcc/lib64 --prefix=${HOME}/local/alps CC=mpicc CXX=mpicxx When I run make I get the following error. if /bin/sh ../../libtool --mode=compile mpicxx -DHAVE_CONFIG_H -I../../src -I../../src -DNDEBUG -DNDEBUG -pthread -w -ftemplate-depth-150 -O3 -fexceptions -MT latticelibrary.lo -MD -MP -MF ".deps/latticelibrary.Tpo" -c -o latticelibrary.lo `test -f '../../src/alps/lattice/latticelibrary.C' || echo './'`../../src/alps/lattice/latticelibrary.C; \ then mv -f ".deps/latticelibrary.Tpo" ".deps/latticelibrary.Plo"; else rm -f ".deps/latticelibrary.Tpo"; exit 1; fi mpicxx -DHAVE_CONFIG_H -I../../src -I../../src -DNDEBUG -DNDEBUG -pthread -w -ftemplate-depth-150 -O3 -fexceptions -MT latticelibrary.lo -MD -MP -MF .deps/latticelibrary.Tpo -c ../../src/alps/lattice/latticelibrary.C -fPIC -DPIC -o .libs/latticelibrary.o /usr/include/boost/type_traits/extent.hpp: In function `void alps::make_graph_from_lattice(GRAPH&, const LATTICE&) [with LATTICE = alps::lattice_graph<alps::hypercubic_lattice<alps::coordinate_lattice<alps::simple_lattice<alps::GraphUnitCell, alps::simple_cell<alps::GraphUnitCell, std::vector<int, std::allocator<int> > > >, std::vector<double, std::allocator<double> > >, std::vector<int, std::allocator<int> > >, alps::coordinate_graph_type>, GRAPH = alps::coordinate_graph_type]': ../../src/alps/lattice/latticegraph.h:207: instantiated from `alps::lattice_graph<L, G>::lattice_graph(const L2&) [with L2 = alps::LatticeGraphDescriptor, LATTICE = alps::hypercubic_lattice<alps::coordinate_lattice<alps::simple_lattice<alps::GraphUnitCell, alps::simple_cell<alps::GraphUnitCell, std::vector<int, std::allocator<int> > > >, std::vector<double, std::allocator<double> > >, std::vector<int, std::allocator<int> > >, GRAPH = alps::coordinate_graph_type]' ../../src/alps/lattice/latticelibrary.C:135: instantiated from here /usr/include/boost/type_traits/extent.hpp:121: error: `template<class T, long unsigned int N> struct boost::extent' is not a function, ../../src/alps/lattice/lattice.h:198: error: conflict with `template<class Lattice> typename alps::VectorTraits<typename alps::lattice_traits<L>::extent_type>::value_type alps::extent(const Lattice&, unsigned int)' ../../src/alps/lattice/latticegraph.h:166: error: in call to `extent' make[2]: *** [latticelibrary.lo] Error 1 make[2]: Leaving directory `/....../packages/alps/alps-1.2.2/lib/alps' make[1]: *** [all-recursive] Error 1 make[1]: Leaving directory `/......./packages/alps/alps-1.2.2/lib' make: *** [all-recursive] Error 1 It seems the struct extent from the boost header extent.hpp is conflicting with the function called extent from alps. From what I can see alps should work with this version of boost and compiler. Has anyone else encountered this issue or know of a way to get around it? Thanks, Niall.

2 2

new lattice
by aniket＠jncasr.ac.in 19 Apr '07

19 Apr '07

Respected sir, I want to use new lattice other than whatever specified in lattice.xml. Suppose new lattice name is kagome lattice. What will be procedure for defining this lattice? I am waiting for reply. with regards, Aniket

2 1

Structure factor again
by Jean-David Picon 19 Apr '07

19 Apr '07

Hi, I am still in trouble with my unitcell and lattice. My unitcell is defined as follows <UNITCELL name="dimerZ" dimension="3"> <VERTEX type="1"> <COORDINATE> 0 0 0</COORDINATE> </VERTEX> <VERTEX type="2"> <COORDINATE> 0 0 1 </COORDINATE> </VERTEX> <EDGE type="0"><SOURCE vertex="1" offset="0 0 0"/><TARGET vertex="2" offset="0 0 0"/></EDGE> <EDGE type="1"><SOURCE vertex="1" offset="0 0 0"/><TARGET vertex="1" offset="1 0 0"/></EDGE> <EDGE type="2"><SOURCE vertex="2" offset="0 0 0"/><TARGET vertex="2" offset="1 0 0"/></EDGE> <EDGE type="1"><SOURCE vertex="1" offset="0 0 0"/><TARGET vertex="1" offset="0 1 0"/></EDGE> <EDGE type="2"><SOURCE vertex="2" offset="0 0 0"/><TARGET vertex="2" offset="0 1 0"/></EDGE> </UNITCELL> and describes 2 spins oriented ALONG THE Z axe. In order to have one layer of these pairs AND structure factor results in 3D with sse, I choose a 3D cubic lattice of height 1. (If I choose a 2D cubic lattice, I just get e.g. (pi, pi) structure factor and not (pi,pi,X)). The problem : the structure factor results are only (X,X,0) results. I do not have for example (pi,pi,pi) SF whereas my system is really 3D. Any help to understand why is welcome ! Thanks, Jean-David

2 1