January 2011 - Comp-phys-alps-users

quantum XY model with an uniform magnetic field in the x-direction
by Kubila 11 Feb '11

11 Feb '11

Hi ALPS users I was wondering can one use looper to simulate quantum XY model with an uniform magnetic field in the x-direction. Thanks.

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TEBD tutorial "2a" (kink & XX chain)
by Grégoire Misguich 09 Feb '11

09 Feb '11

Dear ALPS community, As my first attempt to use the TEBD code provided in alps-2.0, I ran a tutorial concerning the simulation of the XX spin chain (tutorial_2a.py), which simulates the dynamics starting from a domain wall spin configuration: http://alps.comp-phys.org/mediawiki/index.php/ALPS_2_Tutorials:TEBD-02_kink I got the following figures (attached .png files). The Wiki says "We see that the magnetization agrees very well to visual accuracy", but in the plot I obtained, it is not quite the case (very "noisy"). I played a bit with some parameters (increasing the number of time steps and the max Schmidt dimension), but it still get some ugly curves. So, I suspect that something might we wrong... Any help or suggestion would be very much appreciated ! Gregoire Misguich.

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ising scheduler example
by Evgeny Burovskiy 31 Jan '11

31 Jan '11

Ladies and Gentlemen, I'm having a bit of a difficulty with something probably very very simple: I'm writing a simple MC code, which I just derive from the Ising scheduler example of ALPS 1.3.5. The problem appears once I try using the evaluate.C code from the same example. Even if I just take the code from an example, it throws a bad lexical cast exception. Looks like I can nail it down to a line, but the line itself is a bit of alea magic and I simply have no clue how to fix it. Hoping that somebody would spend a minute of their time and have a look at it, I'm attaching a minimal example which shows this behaviour. Here I just copy the sources from the scheduler example directory and only patch the source of evaluate.C. Below is the listing of what I'm doing. Any suggestions would be kindly appreciated, Zhenya ===================================================================== br@ymir:~/sweethome/adatoms/ising/from_scheduler$ make ising g++ -DNDEBUG -I/usr/local/boost -I/usr/local/ALPS-1.3.5/include -g -O2 -o ising ising.C main.C -L/usr/local/ALPS-1.3.5/lib -lalps -lcomm-sgl -llapack -lf77blas -latlas -lpthread -lm <.... a lot of complaints on deprecated headers...> br@ymir:~/sweethome/adatoms/ising/from_scheduler$ make evaluate g++ -DNDEBUG -I/usr/local/boost -I/usr/local/ALPS-1.3.5/include -g -O2 -o evaluate evaluate.C -L/usr/local/ALPS-1.3.5/lib -lalps -lcomm-sgl -llapack -lf77blas -latlas -lpthread -lm <.... a lot of complaints on deprecated headers...> br@ymir:~/sweethome/adatoms/ising/from_scheduler$ parameter2xml par1 Converting parameter file par1 to par1.in.xml br@ymir:~/sweethome/adatoms/ising/from_scheduler$ ./ising par1.in.xml Ising simulation example program using the ALPS Monte Carlo library copyright(c) 1994-2006 by Matthias Troyer <troyer(a)comp-phys.org> 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 1.3.5 available from http://alps.comp-phys.org/ copyright (c) 1994-2009 by the ALPS collaboration. Consult the web page for license details. For details see the publication: A.F. Albuquerque et al., J. of Magn. and Magn. Materials 310, 1187 (2007). parsing task files ... Created run 1 locally Starting task 1. Checking if it is finished: not yet, next check in 60 seconds ( 0% done). Halted Simulation 1 This task took 1 seconds. Checkpointing Simulation 1 Finished with everything. br@ymir:~/sweethome/adatoms/ising/from_scheduler$ ./evaluate par1.task1.out.xml parsing task files ... line 1 of evaluate line 2 of evaluate Caught exception: bad lexical cast: source type value could not be interpreted as target br@ymir:~/sweethome/adatoms/ising/from_scheduler$ ======================================================================

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Fwd: FW: FW: error at installation for pyalea_c.so
by Krunoslav Prsa 23 Jan '11

23 Jan '11

Indeed, that was also the error in my case. Now it works, thanks! Kruno -------- Original Message -------- Subject: FW: [ALPS-users] FW: error at installation for pyalea_c.so Date: Sat, 22 Jan 2011 17:56:25 +0100 From: "Prsa Krunoslav" <Krunoslav.Prsa(a)psi.ch> To: <kprsa(a)phys.ethz.ch> ------------------------------------------- From: comp-phys-alps-users-bounces(a)lists.phys.ethz.ch on behalf of Munehisa Matsumoto[SMTP:MATSUMOTO@PHYSICS.UCDAVIS.EDU] Sent: Saturday, January 22, 2011 5:56:18 PM To: comp-phys-alps-users(a)lists.phys.ethz.ch Subject: Re: [ALPS-users] FW: error at installation for pyalea_c.so Auto forwarded by a Rule Dear Benoît, Thank you for sending the file "cmake_install.cmake" which was taken from lib/pyalps under your build directory as I understood. It looks like your build directory is the same as your installation directory. Is that the case? In line 41 of the file your install destination reads ${CMAKE_INSTALL_PREFIX}/lib/pyalps with ${CMAKE_INSTALL_PREFIX} being "/home/gremaud/alps/alps-2.0.0-r5363" as defined in line 5, while from the build directory "pyalea_c.so" is referenced as "/home/gremaud/alps/alps-2.0.0-r5363/lib/pyalps/pyalea_c.so" I guess your installation moves the file "pyalea.so" from your build directory to your installation directory and thus the file "pyalea.so" is deleted after this stage of installation is supposed to be passed. If the build directory and the installation directory is the same, it might happen that a target file is copied onto itself and then deleted. To avoid such complication having a separate installation directory might help. At least now I am reproducing the problem by setting the build directory and the installation directory to be the same. best regards, Munehisa -- ------------------------------------------------- Dr. Krunoslav Prsa, Postdoc Dynamics of strongly correlated materials Lab. for Solid State Physics Building/Office: HPF/E15.1 Schafmattstrasse 16, ETH Zürich Hönggerberg, CH-8093 Switzerland. Office phone: +41 44 633 22 96 Lab phone: +41 44 633 23 01 Mobile phone: +41 76 386 17 99 -------------------------------------------------

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Re: [ALPS-users] FW: error at installation for pyalea_c.so
by Munehisa Matsumoto 23 Jan '11

23 Jan '11

Dear Benoît, Thank you for sending the file "cmake_install.cmake" which was taken from lib/pyalps under your build directory as I understood. It looks like your build directory is the same as your installation directory. Is that the case? In line 41 of the file your install destination reads ${CMAKE_INSTALL_PREFIX}/lib/pyalps with ${CMAKE_INSTALL_PREFIX} being "/home/gremaud/alps/alps-2.0.0-r5363" as defined in line 5, while from the build directory "pyalea_c.so" is referenced as "/home/gremaud/alps/alps-2.0.0-r5363/lib/pyalps/pyalea_c.so" I guess your installation moves the file "pyalea.so" from your build directory to your installation directory and thus the file "pyalea.so" is deleted after this stage of installation is supposed to be passed. If the build directory and the installation directory is the same, it might happen that a target file is copied onto itself and then deleted. To avoid such complication having a separate installation directory might help. At least now I am reproducing the problem by setting the build directory and the installation directory to be the same. best regards, Munehisa

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Re: [ALPS-users] FW: error at installation for pyalea_c.so
by Munehisa Matsumoto 22 Jan '11

22 Jan '11

Dear Kruno and Benoît, I finally reproduced the problem by setting the following in my initial cmake command -DCMAKE_INSTALL_PREFIX=~/.... instead of -DCMAKE_INSTALL_PREFIX=${HOME}/... which I usually do. It might help to do "${HOME}/" instead of "~/" in your cmake. best regards, Munehisa Matsumoto Munehisa MATSUMOTO Department of Physics University of California, One Shields Avenue, Davis, CA 95616 E-mail: matsumoto(a)physics.ucdavis.edu matumott(a)mac.com matumott(a)gmail.com On 2011/01/19, at 3:02, Krunoslav Prsa wrote: Hi, I get the same problem when installing on the brutus clustur... Best wishes, Kruno ------------------------------------------------- Dr. Krunoslav Prsa, Postdoc Dynamics of strongly correlated materials Laboratory for Solid State Physics Building/Office: HPF/E15.1 Schafmattstrasse 16, ETH Zürich Hönggerberg, CH-8093 Switzerland. Office phone: +41 44 633 22 96 Lab phone: +41 44 633 23 01 Mobile phone: +41 76 386 17 99 ------------------------------------------------- -----Original Message----- From: Prsa Krunoslav [mailto:Krunoslav.Prsa@psi.ch] Sent: Wednesday, January 19, 2011 8:50 AM To: kprsa(a)phys.ethz.ch Subject: FW: [ALPS-users] error at installation for pyalea_c.so ------------------------------------------- From: comp-phys-alps-users-bounces(a)lists.phys.ethz.ch on behalf of benoît grémaud[SMTP:GREMAUD.BENOIT@GMAIL.COM <SMTP%3AGREMAUD.BENOIT(a)GMAIL.COM>] Sent: Wednesday, January 19, 2011 8:50:21 AM To: comp-phys-alps-users(a)phys.ethz.ch Subject: [ALPS-users] error at installation for pyalea_c.so Auto forwarded by a Rule Hello, I am compiling alps2.0.0-- -r5363 on a linux machine (fedora) with intel compilers and mkl I use boost provided by alps. python version is 2.6.4 the cmake command is as follows: cmake -D Boost_ROOT_DIR:PATH=~/alps/alps-2.0.0-r5363-src-with-boost/boost -DCMAKE_INSTALL_PREFIX=~/alps/alps-2.0.0-r5363 -D LAPACK_64_BIT=ON -DLPSOLVE_ROOT=~/alps/lp_solve_4.0 ~/alps/alps-2.0.0-r5363-src-with-boost/alps cmake, make, make test, all went fine. however, I got the following error during the install: CMake Error at lib/pyalps/cmake_install.cmake:41 (FILE): file INSTALL cannot find "/home/gremaud/alps/alps-2.0.0-r5363/lib/pyalps/pyalea_c.so". Call Stack (most recent call first): cmake_install.cmake:94 (INCLUDE) I checked that before the installation the file pyalea_c.so existed. Strangely enough, after the preceding error, it has disappeared. any clue of what happened? regards, Benoît Grémaud -------------------- Researcher at CNRS, Laboratoire Kastler Brossel (Paris, France) Visiting Associate Professor at the Centre for Quantum Technologies (NUS, Singapore)

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Dzyaloshinskii-Moriya in spinmc
by Francesco Casola 21 Jan '11

21 Jan '11

Dear ALPS community, as you know classical Monte Carlo in ALPS does not make use of the XML model descriptions, contrary to the quantum case. On the other hand, I would be intereseted in simulating a Heisenberg model including a Dzyaloshinskii-Moriya interaction. I could not find any comment about this possibility on the page describing spinmc : http://alps.comp-phys.org/mediawiki/index.php/Documentation:ClassicalMCSimu…. - Would it be possible to implement such a Hamiltonian? -Secondly, from that same tutorial page it is not clear to me whether the field can be specified as a 3D vector or it is intended as a scalar in the default z-direction. Many thanks for your kind help. Francesco -- Francesco Casola, Ph. D. Student Laboratory for Solid State Physics ETH Zürich Hönggerberg HPF E15.1 Schafmattstrasse 16 CH-8093 Switzerland Tel. Office: +41 (0)44 633 22 96 / 03 Tel. Lab: +41 (0)44 633 23 01 E-mail: fcasola(a)phys.ethz.ch Group website: https://protos.ethz.ch/dscm

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Re: [ALPS-users] How to run Spin Glass systems
by Hakob Abajyan 21 Jan '11

21 Jan '11

Doesn't anyone have answer ? ________________________________ From: Hakob Abajyan <hakob.abajyan(a)yahoo.com> To: comp-phys-alps-devel(a)lists.phys.ethz.ch; comp-phys-alps-users(a)lists.phys.ethz.ch Sent: Wed, January 19, 2011 2:03:54 AM Subject: Re: How to run Spin Glass systems Any help would be appreciated. ________________________________ From: Hakob Abajyan <hakob.abajyan(a)yahoo.com> To: comp-phys-alps-devel(a)lists.phys.ethz.ch; comp-phys-alps-users(a)lists.phys.ethz.ch Sent: Sat, January 15, 2011 5:23:02 AM Subject: How to run Spin Glass systems ________________________________ Hi ALPS Team, I have investigated tutorials on ALPS web page but could not find any instructions how to run "classical Heisenberg spin-glass model" on ALPS. Could you please, answer to the following questions ? 1. Does ALPS support "classical Heisenberg spin-glass model" (Interaction constants are generated randomly) ? 2. If the answer of first question is positive, how to do that ? 3. Does ALPS support ensemble simulation or just simulation of one spin chain?Thanks in advance, Hakob

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problem with alps - python
by Carlos Pineda 20 Jan '11

20 Jan '11

Dear friends, I am trying to install ALPS and my interest is to use it in combination with python, which I am still learning. The installation has so far been more or less easy. However I am stuck with a problem with python. Possibly its only python I downloaded alps-2.0.0-r5363-src-with-boost.tar.gz and followed the instructions in http://alps.comp-phys.org/mediawiki/index.php/Download_and_install_ALPS_2#B… for a generic distribution, until ******************************************** make test ******************************************** where some errors are reported: ******************************************** $ make test ... The following tests FAILED: 1 - ising_single (Failed) 2 - loop_single (Failed) 3 - exchange (Failed) 90 - python_hlist_test (Failed) 91 - python_mcdata (Failed) 92 - python_pyhdf5 (Failed) Errors while running CTest make: *** [test] Error 8 ******************************************** Some of them are trivial, I think. Namely, for the Ising model instead of having an error of exactly 0, the error is of the order of 10^-8. However for the python part it is mode problematic. I managed to trace back the errors to the command ******************************************** carlosp@papa ~/Desktop/alps-2.0.0-r5363-src-with-boost/alps/test/pyalps $ /usr/bin/ctest --force-new-ctest-process -V UpdateCTestConfiguration from :/home/carlosp/Desktop/alps-2.0.0-r5363-src-with-boost/alps/test/pyalps/DartConfiguration.tcl UpdateCTestConfiguration from :/home/carlosp/Desktop/alps-2.0.0-r5363-src-with-boost/alps/test/pyalps/DartConfiguration.tcl Test project /home/carlosp/Desktop/alps-2.0.0-r5363-src-with-boost/alps/test/pyalps Constructing a list of tests Done constructing a list of tests Checking test dependency graph... test 1 Start 1: python_hlist_test 1: Test command: /usr/bin/cmake -Dcmd=hlist_test.py -Dinput=hlist_test -Doutput=hlist_test -Dsourcedir=/home/carlosp/Desktop/alps-2.0.0-r5363-src-with-boost/alps -Dbinarydir=/home/carlosp/Desktop/alps-2.0.0-r5363-src-with-boost/alps -Dcmddir=/home/carlosp/Desktop/alps-2.0.0-r5363-src-with-boost/alps/test/pyalps -P /home/carlosp/Desktop/alps-2.0.0-r5363-src-with-boost/alps/config/run_python_test.cmake 1: Test timeout computed to be: 9.99988e+06 1: CMake Error at /home/carlosp/Desktop/alps-2.0.0-r5363-src-with-boost/alps/config/run_python_test.cmake:33 (message): 1: error runing test 'python_hlist_test.py': Traceback (most recent call 1: last): 1: 1: File "/home/carlosp/Desktop/alps-2.0.0-r5363-src-with-boost/alps/test/pyalps/hlist_test.py", line 28, in <module> 1: from pyalps.hlist import HList 1: File "/home/carlosp/Desktop/alps-2.0.0-r5363-src-with-boost/alps/lib/pyalps/__init__.py", line 38, in <module> 1: from tools import * 1: File "/home/carlosp/Desktop/alps-2.0.0-r5363-src-with-boost/alps/lib/pyalps/tools.py", line 31, in <module> 1: import tempfile 1: File "/usr/lib/python2.6/tempfile.py", line 34, in <module> 1: from random import Random as _Random 1: File "/usr/lib/python2.6/random.py", line 45, in <module> 1: from math import log as _log, exp as _exp, pi as _pi, e as _e, ceil as _ceil 1: 1: ImportError: cannot import name pi 1: 1: ; shell output: 1! 1: 1: 1/3 Test #1: python_hlist_test ................***Failed 0.09 sec test 2 Start 2: python_mcdata 2: Test command: /usr/bin/cmake -Dcmd=mcdata.py -Dinput=mcdata -Doutput=mcdata -Dsourcedir=/home/carlosp/Desktop/alps-2.0.0-r5363-src-with-boost/alps -Dbinarydir=/home/carlosp/Desktop/alps-2.0.0-r5363-src-with-boost/alps -Dcmddir=/home/carlosp/Desktop/alps-2.0.0-r5363-src-with-boost/alps/test/pyalps -P /home/carlosp/Desktop/alps-2.0.0-r5363-src-with-boost/alps/config/run_python_test.cmake 2: Test timeout computed to be: 9.99988e+06 2: CMake Error at /home/carlosp/Desktop/alps-2.0.0-r5363-src-with-boost/alps/config/run_python_test.cmake:33 (message): 2: error runing test 'python_mcdata.py': Traceback (most recent call last): 2: 2: File "/home/carlosp/Desktop/alps-2.0.0-r5363-src-with-boost/alps/test/pyalps/mcdata.py", line 30, in <module> 2: from pyalps.alea import * 2: File "/home/carlosp/Desktop/alps-2.0.0-r5363-src-with-boost/alps/lib/pyalps/__init__.py", line 38, in <module> 2: from tools import * 2: File "/home/carlosp/Desktop/alps-2.0.0-r5363-src-with-boost/alps/lib/pyalps/tools.py", line 31, in <module> 2: import tempfile 2: File "/usr/lib/python2.6/tempfile.py", line 34, in <module> 2: from random import Random as _Random 2: File "/usr/lib/python2.6/random.py", line 45, in <module> 2: from math import log as _log, exp as _exp, pi as _pi, e as _e, ceil as _ceil 2: 2: ImportError: cannot import name pi 2: 2: ; shell output: 1! 2: 2: 2/3 Test #2: python_mcdata ....................***Failed 0.09 sec test 3 Start 3: python_pyhdf5 3: Test command: /usr/bin/cmake -Dcmd=pyhdf5.py -Dinput=pyhdf5 -Doutput=pyhdf5 -Dsourcedir=/home/carlosp/Desktop/alps-2.0.0-r5363-src-with-boost/alps -Dbinarydir=/home/carlosp/Desktop/alps-2.0.0-r5363-src-with-boost/alps -Dcmddir=/home/carlosp/Desktop/alps-2.0.0-r5363-src-with-boost/alps/test/pyalps -P /home/carlosp/Desktop/alps-2.0.0-r5363-src-with-boost/alps/config/run_python_test.cmake 3: Test timeout computed to be: 9.99988e+06 3: CMake Error at /home/carlosp/Desktop/alps-2.0.0-r5363-src-with-boost/alps/config/run_python_test.cmake:33 (message): 3: error runing test 'python_pyhdf5.py': Traceback (most recent call last): 3: 3: File "/home/carlosp/Desktop/alps-2.0.0-r5363-src-with-boost/alps/test/pyalps/pyhdf5.py", line 30, in <module> 3: import pyalps.hdf5 as h5 3: File "/home/carlosp/Desktop/alps-2.0.0-r5363-src-with-boost/alps/lib/pyalps/__init__.py", line 38, in <module> 3: from tools import * 3: File "/home/carlosp/Desktop/alps-2.0.0-r5363-src-with-boost/alps/lib/pyalps/tools.py", line 31, in <module> 3: import tempfile 3: File "/usr/lib/python2.6/tempfile.py", line 34, in <module> 3: from random import Random as _Random 3: File "/usr/lib/python2.6/random.py", line 45, in <module> 3: from math import log as _log, exp as _exp, pi as _pi, e as _e, ceil as _ceil 3: 3: ImportError: cannot import name pi 3: 3: ; shell output: 1! 3: 3: 3/3 Test #3: python_pyhdf5 ....................***Failed 0.09 sec 0% tests passed, 3 tests failed out of 3 Total Test time (real) = 0.28 sec The following tests FAILED: 1 - python_hlist_test (Failed) 2 - python_mcdata (Failed) 3 - python_pyhdf5 (Failed) Errors while running CTest ******************************************************************** however the "bad" line seems to be working in normal python: ******************************************************************** carlosp@papa ~/Desktop/alps-2.0.0-r5363-src-with-boost/alps/test/pyalps $ python Python 2.6.6 (r266:84292, Jan 19 2011, 11:02:33) [GCC 4.4.4] on linux2 Type "help", "copyright", "credits" or "license" for more information. >>> from math import log as _log, exp as _exp, pi as _pi, e as _e, ceil as _ceil >>> exit() ******************************************************************** my python version: ******************************************************************** carlosp@papa ~/Desktop/alps-2.0.0-r5363-src-with-boost/alps/test/pyalps $ python -V Python 2.6.6 ******************************************************************** Thanks a lot for your help! carlos

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FW: error at installation for pyalea_c.so
by Krunoslav Prsa 19 Jan '11

19 Jan '11

Hi, I get the same problem when installing on the brutus clustur... Best wishes, Kruno ------------------------------------------------- Dr. Krunoslav Prsa, Postdoc Dynamics of strongly correlated materials Laboratory for Solid State Physics Building/Office: HPF/E15.1 Schafmattstrasse 16, ETH Zürich Hönggerberg, CH-8093 Switzerland. Office phone: +41 44 633 22 96 Lab phone: +41 44 633 23 01 Mobile phone: +41 76 386 17 99 ------------------------------------------------- -----Original Message----- From: Prsa Krunoslav [mailto:Krunoslav.Prsa@psi.ch] Sent: Wednesday, January 19, 2011 8:50 AM To: kprsa(a)phys.ethz.ch Subject: FW: [ALPS-users] error at installation for pyalea_c.so ------------------------------------------- From: comp-phys-alps-users-bounces(a)lists.phys.ethz.ch on behalf of benoît grémaud[SMTP:GREMAUD.BENOIT@GMAIL.COM] Sent: Wednesday, January 19, 2011 8:50:21 AM To: comp-phys-alps-users(a)phys.ethz.ch Subject: [ALPS-users] error at installation for pyalea_c.so Auto forwarded by a Rule Hello, I am compiling alps2.0.0-- -r5363 on a linux machine (fedora) with intel compilers and mkl I use boost provided by alps. python version is 2.6.4 the cmake command is as follows: cmake -D Boost_ROOT_DIR:PATH=~/alps/alps-2.0.0-r5363-src-with-boost/boost -DCMAKE_INSTALL_PREFIX=~/alps/alps-2.0.0-r5363 -D LAPACK_64_BIT=ON -DLPSOLVE_ROOT=~/alps/lp_solve_4.0 ~/alps/alps-2.0.0-r5363-src-with-boost/alps cmake, make, make test, all went fine. however, I got the following error during the install: CMake Error at lib/pyalps/cmake_install.cmake:41 (FILE): file INSTALL cannot find "/home/gremaud/alps/alps-2.0.0-r5363/lib/pyalps/pyalea_c.so". Call Stack (most recent call first): cmake_install.cmake:94 (INCLUDE) I checked that before the installation the file pyalea_c.so existed. Strangely enough, after the preceding error, it has disappeared. any clue of what happened? regards, Benoît Grémaud -------------------- Researcher at CNRS, Laboratoire Kastler Brossel (Paris, France) Visiting Associate Professor at the Centre for Quantum Technologies (NUS, Singapore)

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