- Comp-phys-alps-users - lists.phys.ethz.ch

spinmc issues
by Andrea Taroni 06 Jun '06

06 Jun '06

Dear all, I am in the very early stages of experimenting around with ALPS, with the specific goal of using the software as a benchmark on some classical calculations. I hope you don't mind, but I have a number of basic questions I would like to ask, I'm finding the documentation rather hard to follow at the moment! 1. If I were to add a term to, say, the basic Heisenberg Hamiltonian what files should I be looking to do this in? 2. In order to recompile the code once this is done, is it just a case of running gcc on the .C files in the subdirectory of interest (in this case (~/alps-applications-1.2.2/mc/spins) or do I need to recompile the whole of ALPS? If so how is this done? 3. Is there a protocol in place in order to inform the main developers that my new (fictitious) Heisenberg code should be in the next version of ALPS? Thank you for your time, -- --------------------------------------------------------------- Andrea Taroni | Phone : (44) 7679 4636 Department of Chemistry | Fax : (44) 7679 7463 University College London | e-mail: a.taroni(a)ucl.ac.uk 20 Gordon Street WC1H 0AJ, UK ---------------------------------------------------------------

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Re: [ALPS-users] spinmc on 3d fcc lattice
by Matthias Troyer 27 Apr '06

27 Apr '06

On Apr 27, 2006, at 10:14 AM, Aleksander Wittlin wrote: > >> Run it individually on each of the *task*.out.xml files *after* >> running spinmc >> >> Best regards >> Matthias >> > Tried but apparently I miss something like "jobfile" (see below). > Regards, > Aleksander > > [wittlin@wittlin1 classical3]$ spinmc_evaluate fcc7.task1.out.xml > Generic classical Monte Carlo program using local or cluster updates > available from http://alps.comp-phys.org/ > copyright(c) 1999-2004 by Matthias Troyer <troyer(a)comp-phys.org> > Fabian Stoeckli > Mathias Koerner <mkoerner(a)comp-phys.org> > for details see the publication: > F. Alet et al., Report cond-mat/0410407. > > using the ALPS parallelizing scheduler > copyright (c) 1994-2004 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 1.2.2 > available from http://alps.comp-phys.org/ > copyright (c) 1994-2004 by the ALPS collaboration. > consult the web page for license details. > for details see the publication: F. Alet et al., Report cond-mat/ > 0410407. > > Starting all processes > missing <JOB> element in jobfile Can you try using version 1.3a1 of ALPS, which we have on the web page? Matthias

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Re: [ALPS-users] spinmc on 3d fcc lattice
by Matthias Troyer 27 Apr '06

27 Apr '06

On Apr 27, 2006, at 6:50 AM, Aleksander Wittlin wrote: > Dear Dr Troyer, > > yet another question/ request for your assistance: > > there is a note at the description of spinmc, > saying that: > "To evaluate the specific heat the evaluation program > spinmc_evaluate has to > be run on the task files (*task*.xml)." > > Does it mean that one should use spinmc_evaluate *instead* of > spinmc on the > xxx.task*.in.xml parameter files, or should one run spinmc_evaluate > *after* > spinmc. Run it individually on each of the *task*.out.xml files *after* running spinmc Best regards Matthias

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Re: [ALPS-users] spinmc on 3d fcc lattice
by Matthias Troyer 24 Apr '06

24 Apr '06

On Apr 24, 2006, at 7:31 AM, Aleksander Wittlin wrote: > Dear Dr Troyer, > > I am sorry to bother you with perhaps trivial question. > I am trying to run the spinmc code with > dr's Todo fcc lattice definition. It > works, however some diagnostics seems still cryptic to me. > For example for the below enclosed parameters file > I get for some temperatures ERROR "converged"="yes" > and for somewhat higher, presumably closer to the > phase transition "converged"="no". Should I tinker with > parameters or is it OK? converge=no means that you have to run for a larger number of sweeps. This is natural close to the phase transition or at very low temperatures since there the autocorrelation times increase. The best procedure is to start from very small systems, and only increase the system size once you see that you get good convergence of the errors. As long as they are not converged, it is hard to trust the results since the error bar is most likely much larger than estimated. Best regards Matthias Troyer

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Re: Dumping spin configurations in ALPS
by Matthias Troyer 17 Jan '06

17 Jan '06

On Jan 16, 2006, at 10:41 PM, Kirill Belashchenko wrote: > Dear Dr. Troyer, > > I am looking for a code that can generate random spin > configurations from > Monte Carlo simulations for the classical Heisenberg model. I > looked at the > ALPS code and found that it can do the simulations, but I could not > find a > documented option to dump a random configuration to a file. Is > there an easy > way to do this? Where is this configuration stored in the code? > > Thank you, > > Kirill Belashchenko > Assistant Professor > Department of Physics and Astronomy and > Center for Materials Research and Analysis > University of Nebraska-Lincoln > Lincoln, NE 68588-0111 > Office: (402)472-2396, 214B Ferguson Hall > Fax: (402)472-2879 > Email: kdbel(a)unlserve.unl.edu It should be no problem to add code to dump the configurations, but you might be better off just directly adding the measurements you want to the code. The best place to add code for dumping the configurations or adding extra measurements is the file mc/spins/ spinsim.h in the function SpinSim<M>::do_measurements() . The spins are stored in the vector spins_, and you might need to add an output operator to the ONMoment class in file on.h to write the spins to a text file in your preferred format. Don't hesitate ask again if you have further questions. Best regards Matthias Troyer

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test
by Matthias Troyer 11 Aug '05

11 Aug '05

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Fwd: "live-CD" Linux with ALPS pre-installed
by Matthias Troyer 23 Nov '04

23 Nov '04

Begin forwarded message: > From: gpawlo(a)amu.edu.pl > Date: November 23, 2004 12:58:23 PM CET > To: comp-phys-alps-announce(a)phys.ethz.ch > Subject: "live-CD" Linux with ALPS pre-installed > > Dear friends > > I want to inform you about a possibility to obtain a special "live-CD" > Linux distribution with ALPS pre-installed from the web page "cdALPS" > (http://hoth.amu.edu.pl/~netma) > See a new announcement on http://alps.comp-phys.org. > Best regards, > > Grzegorz Pawlowski

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ALPS 1.2.2
by Matthias Troyer 18 Nov '04

18 Nov '04

Dear colleagues, ALPS version 1.2.2 has been released, containing two bug fixes: - a fix for the classical Monte Carlo codes when spin sizes S are given - a fix to the sign problem checker to correctly support site disorder Please download and install the new version if you want to perform classical Monte Carlo simulations and specify spin sizes, or if you want to use non-uniform magnetic fields or chemical potentials in QMC codes, such as for trapped bosons. Best regards Matthias Troyer

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Willkomen!!!!
by Matthias Troyer 31 Oct '04

31 Oct '04

Hallo Simon, wir sind bisher die einzigen auf der Mailingliste. Matthias

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