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

about DMRG code
by A. Giovanni Ramirez Garcia 10 Apr '12

10 Apr '12

Hello all, I'm testing the DMRG code in ALPS (2.1.0d1). Is it possible to get the spectrum of the Density Matrix? I can see the value of the Entropy in each iteration but I'm interested in the spectrum. Thanks in advance, Giovanni Ramirez

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help
by #ABDUL MALEK BIN RAZALI# 10 Apr '12

10 Apr '12

Hi, I am using the honeycomb lattice and boson hubbard model from the alps library on vispython. I wish to measure the staggered structure factor given by the equation S = 1/N * Summation [ e(i)e(j) <n(i)n(j)> ] where e(i) = 1 or -1 for i on sublattice A(B) in terms of density-density correlations. I know that alps measure the density structure factor using wave vectors. How can i make alps measure the structure factor given above ? Regards, Mike

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Re: [ALPS-users] ALPS looper problem
by Synge Todo 09 Apr '12

09 Apr '12

Dear Larry, ALPS version 2.0.4 will be released at the end of April. This patch should be included into this version. Or, you can download the nightly snapshot ALPS source code from ALPS web and compile it by yourself. # Note that neither the Windows binary installer nor the Live-ALPS distribution will be # updated until the formal 2.0.4 release. Best, Synge On 2012/04/08, at 23:34, Larry P. Engelhardt wrote: > Dear Synge, > > Thank you very much! I first encountered this problem using the Live-ALPS linux distribution, and then I tried the windows binary and had the same problem. Will your change be incorporated into either or both of these versions of ALPS? > > Thanks again, and best wishes, > Larry > > Dr. Larry Engelhardt > Associate Professor of Physics > Francis Marion University > Florence, SC USA 29501 > > http://swampfox.fmarion.edu/engelhardt > > -----Original Message----- > From: Synge Todo [mailto:wistaria@comp-phys.org] > Sent: Sunday, April 08, 2012 9:11 AM > To: Larry P. Engelhardt > Cc: Synge Todo; comp-phys-alps-users(a)lists.phys.ethz.ch > Subject: Re: ALPS looper problem > > Dear Larry Engelhardt, > > Thank you for your report. This is due to thread-unsafty of evaluation of observables. > I've deparallelized the task evaluation in trunk (revision 6069), and confirmed that your python script works as expected. > > I attach the diff at the end of this message, or if you are using the ALPS binary package, the nightly-snapshot binary package should be updated in a day or so. > > Best, > Synge > > > > On 2012/04/06, at 0:15, Larry P. Engelhardt wrote: > >> Dear Professor Todo, >> >> This is the same email that was just sent, but this time with an appropriate subject line! >> >> I have encountered a problem using the ALPS/looper code, and I am >> hoping you will be able to point me in the right direction. The >> looper application runs, but then as it finishes, it sometimes fails >> to produce the appropriate .h5 files. It will produce .h5 files with >> "clone" in the filename, but it will not produce the .h5 files that >> are needed when it attempts to evaluate the corresponding .xml files. >> (The output is pasted below.) This problem started to occur when I >> tried to loop through multiple sets of model parameters, using the >> looper application to calculate susceptibility versus temperature for >> each set of parameters. (It worked fine when only executing the >> looper application a single time, for a single set of model >> parameters.) >> >> In the attached .ZIP file, I have included the python scripts that I >> have written to loop through different sets of model parameters, and I >> have included the model.xml and lattice.xml files that I am using. >> (To run the program, create a folder named ./data for the output and >> ./parameters for the parameter files, then execute >> Cr12Gd4_QMC_script.py) >> >> Any assistance would be greatly appreciated! >> >> Thank you much, >> Larry >> >> Dr. Larry Engelhardt >> Associate Professor of Physics >> Francis Marion University >> Florence, SC 29501 >> >> Phone: (843) 661-1452 >> http://swampfox.fmarion.edu/engelhardt/ >> >> >> OUTPUT: >> >> [2012-Apr-05 10:43:13]: all threads halted >> [2012-Apr-05 10:43:13]: starting evaluation on unnamed evaluating >> parm3.task1.out.xml evaluating parm3.task11.out.xml loading clones: 1 >> >> This application has requested the Runtime to terminate it in an unusual way. >> Please contact the application's support team for more information. >> >> evaluating parm3.task12.out.xml >> loading clones: 1 >> >> FILE .\parameters\parm3.task1.out.h5DOES NOT EXIST! >> FILE .\parameters\parm3.task10.out.h5DOES NOT EXIST! >> FILE .\parameters\parm3.task12.out.h5DOES NOTEXIST! >> FILE .\parameters\parm3.task13.out.h5DOES NOT EXIST! >> FILE .\parameters\parm3.task14.out.h5DOES NOT EXIST! >> FILE .\parameters\parm3.task15.out.h5DOES NOT EXIST! >> FILE .\parameters\parm3.task16.out.h5DOES NOT EXIST! >> FILE .\parameters\parm3.task17.out.h5DOES NOT EXIST! >> FILE .\parameters\parm3.task18.out.h5DOES NOT EXIST! >> FILE .\parameters\parm3.task19.out.h5DOES NOT EXIST! >> FILE .\parameters\parm3.task2.out.h5DOES NOT EXIST! >> FILE .\parameters\parm3.task20.out.h5DOES NOT EXIST! >> FILE .\parameters\parm3.task3.out.h5DOES NOT EXIST! >> FILE .\parameters\parm3.task4.out.h5DOES NOT EXIST! >> FILE .\parameters\parm3.task5.out.h5DOES NOT EXIST! >> FILE .\parameters\parm3.task6.out.h5DOES NOT EXIST! >> FILE .\parameters\parm3.task7.out.h5DOES NOT EXIST! >> FILE .\parameters\parm3.task8.out.h5DOES NOT EXIST! >> FILE .\parameters\parm3.task9.out.h5DOES NOT EXIST! >

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Re: [ALPS-users] ALPS looper problem
by Synge Todo 08 Apr '12

08 Apr '12

Dear Larry Engelhardt, Thank you for your report. This is due to thread-unsafty of evaluation of observables. I've deparallelized the task evaluation in trunk (revision 6069), and confirmed that your python script works as expected. I attach the diff at the end of this message, or if you are using the ALPS binary package, the nightly-snapshot binary package should be updated in a day or so. Best, Synge On 2012/04/06, at 0:15, Larry P. Engelhardt wrote: > Dear Professor Todo, > > This is the same email that was just sent, but this time with an appropriate subject line! > > I have encountered a problem using the ALPS/looper code, and I am hoping you will be able to point me in the right direction. The looper application runs, but then as it finishes, it sometimes fails to produce the appropriate .h5 files. It will produce .h5 files with "clone" in the filename, but it will not produce the .h5 files that are needed when it attempts to evaluate the corresponding .xml files. (The output is pasted below.) This problem started to occur when I tried to loop through multiple sets of model parameters, using the looper application to calculate susceptibility versus temperature for each set of parameters. (It worked fine when only executing the looper application a single time, for a single set of model parameters.) > > In the attached .ZIP file, I have included the python scripts that I have written to loop through different sets of model parameters, and I have included the model.xml and lattice.xml files that I am using. (To run the program, create a folder named ./data for the output and ./parameters for the parameter files, then execute Cr12Gd4_QMC_script.py) > > Any assistance would be greatly appreciated! > > Thank you much, > Larry > > Dr. Larry Engelhardt > Associate Professor of Physics > Francis Marion University > Florence, SC 29501 > > Phone: (843) 661-1452 > http://swampfox.fmarion.edu/engelhardt/ > > > OUTPUT: > > [2012-Apr-05 10:43:13]: all threads halted > [2012-Apr-05 10:43:13]: starting evaluation on unnamed > evaluating parm3.task1.out.xml > evaluating parm3.task11.out.xml > loading clones: 1 > > This application has requested the Runtime to terminate it in an unusual way. > Please contact the application's support team for more information. > > evaluating parm3.task12.out.xml > loading clones: 1 > > FILE .\parameters\parm3.task1.out.h5DOES NOT EXIST! > FILE .\parameters\parm3.task10.out.h5DOES NOT EXIST! > FILE .\parameters\parm3.task12.out.h5DOES NOTEXIST! > FILE .\parameters\parm3.task13.out.h5DOES NOT EXIST! > FILE .\parameters\parm3.task14.out.h5DOES NOT EXIST! > FILE .\parameters\parm3.task15.out.h5DOES NOT EXIST! > FILE .\parameters\parm3.task16.out.h5DOES NOT EXIST! > FILE .\parameters\parm3.task17.out.h5DOES NOT EXIST! > FILE .\parameters\parm3.task18.out.h5DOES NOT EXIST! > FILE .\parameters\parm3.task19.out.h5DOES NOT EXIST! > FILE .\parameters\parm3.task2.out.h5DOES NOT EXIST! > FILE .\parameters\parm3.task20.out.h5DOES NOT EXIST! > FILE .\parameters\parm3.task3.out.h5DOES NOT EXIST! > FILE .\parameters\parm3.task4.out.h5DOES NOT EXIST! > FILE .\parameters\parm3.task5.out.h5DOES NOT EXIST! > FILE .\parameters\parm3.task6.out.h5DOES NOT EXIST! > FILE .\parameters\parm3.task7.out.h5DOES NOT EXIST! > FILE .\parameters\parm3.task8.out.h5DOES NOT EXIST! > FILE .\parameters\parm3.task9.out.h5DOES NOT EXIST!

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Re: [ALPS-users] quantum on ALPS
by Synge Todo 08 Apr '12

08 Apr '12

Dear Jianming Cai, Please look at the ALPS 1.3 tools tutorial http://alps.comp-phys.org/mediawiki/index.php/Tutorials:ToolsHOWTO (especially Examples 3 and 4 in this wiki page) to learn how to write plot.xml for VECTOR_AVERAGE. Best regards, Synge Todo On 2012/04/08, at 13:42, Jianming Cai wrote: > Dear Prof. Synge Todo, > > I am a beginner to ALPS and I have run some toy model and got some output file from ALPS, as in the attached file. > > And I hope to extract the value of spin correlation corresponding to the indexvalue for example (0)---(0), and spin structure factor > > corresponding to the indexvalue of (0). > > I was using extractext to extract the SCALAR_AVERAGE value such as Energy. > > But for this kind of VECTOR_AVERAGE, I am not clear how to write the corresponding plot.xml, could you please give some help how can I extract these values? > > Many thanks! > > Have a nice weekend, > > Yours sincerely, > > Jianming > > > > > <VECTOR_AVERAGE name="Spin Correlations" nvalues="40"> > <SCALAR_AVERAGE indexvalue="( 0 ) -- ( 0 )"> > <COUNT>52815</COUNT> > <MEAN method="simple">0.25</MEAN> > <ERROR converged="yes" method="binning">0</ERROR> > <VARIANCE method="simple">0</VARIANCE> > <AUTOCORR method="binning">-nan</AUTOCORR> > <BINNED size="1"><COUNT>52815</COUNT><MEAN method="simple">0.25</MEAN><ERROR method="simple">-nan</ERROR></BINNED> > <BINNED size="2"><COUNT>26407</COUNT><MEAN method="simple">0.25</MEAN><ERROR method="simple">-nan</ERROR></BINNED> > <BINNED size="4"><COUNT>13203</COUNT><MEAN method="simple">0.25</MEAN><ERROR method="simple">-nan</ERROR></BINNED> > <BINNED size="8"><COUNT>6601</COUNT><MEAN method="simple">0.25</MEAN><ERROR method="simple">-nan</ERROR></BINNED> > <BINNED size="16"><COUNT>3300</COUNT><MEAN method="simple">0.25</MEAN><ERROR method="simple">-nan</ERROR></BINNED> > <BINNED size="32"><COUNT>1650</COUNT><MEAN method="simple">0.25</MEAN><ERROR method="simple">-nan</ERROR></BINNED> > <BINNED size="64"><COUNT>825</COUNT><MEAN method="simple">0.25</MEAN><ERROR method="simple">-nan</ERROR></BINNED> > <BINNED size="128"><COUNT>412</COUNT><MEAN method="simple">0.25</MEAN><ERROR method="simple">-nan</ERROR></BINNED> > <BINNED size="256"><COUNT>206</COUNT><MEAN method="simple">0.25</MEAN><ERROR method="simple">-nan</ERROR></BINNED> > </SCALAR_AVERAGE> > > <VECTOR_AVERAGE name="Spin Structure Factor" nvalues="40"> > <SCALAR_AVERAGE indexvalue="( 0 )"> > <COUNT>52815</COUNT> > <MEAN method="simple">0</MEAN> > <ERROR converged="yes" method="binning">0</ERROR> > <VARIANCE method="simple">0</VARIANCE> > <AUTOCORR method="binning">-nan</AUTOCORR> > <BINNED size="1"><COUNT>52815</COUNT><MEAN method="simple">0</MEAN><ERROR method="simple">-nan</ERROR></BINNED> > <BINNED size="2"><COUNT>26407</COUNT><MEAN method="simple">0</MEAN><ERROR method="simple">-nan</ERROR></BINNED> > <BINNED size="4"><COUNT>13203</COUNT><MEAN method="simple">0</MEAN><ERROR method="simple">-nan</ERROR></BINNED> > <BINNED size="8"><COUNT>6601</COUNT><MEAN method="simple">0</MEAN><ERROR method="simple">-nan</ERROR></BINNED> > <BINNED size="16"><COUNT>3300</COUNT><MEAN method="simple">0</MEAN><ERROR method="simple">-nan</ERROR></BINNED> > <BINNED size="32"><COUNT>1650</COUNT><MEAN method="simple">0</MEAN><ERROR method="simple">-nan</ERROR></BINNED> > <BINNED size="64"><COUNT>825</COUNT><MEAN method="simple">0</MEAN><ERROR method="simple">-nan</ERROR></BINNED> > <BINNED size="128"><COUNT>412</COUNT><MEAN method="simple">0</MEAN><ERROR method="simple">-nan</ERROR></BINNED> > <BINNED size="256"><COUNT>206</COUNT><MEAN method="simple">0</MEAN><ERROR method="simple">-nan</ERROR></BINNED> > </SCALAR_AVERAGE> > > <XXZ1DT1.task1.out.xml>

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tests failed
by Rajeev Singh 22 Mar '12

22 Mar '12

Hi, I have installed Alps on a computer running SUSE Linux Enterprise Server 10 (x86_64) using Intel Compilers. The following is the result of 'make test' The following tests FAILED: 8 - hello_fortran (Failed) 9 - ising_fortran (Failed) 42 - lattice_constant_test (Failed) 80 - h5d_cpx_flt_ (Failed) 81 - h5dc_cpx_flt_ (Failed) 82 - h5a_cpx_flt_ (Failed) 83 - h5ac_cpx_flt_ (Failed) 88 - h5d_cpx_lng_dbl_ (Failed) 89 - h5dc_cpx_lng_dbl_ (Failed) 90 - h5a_cpx_lng_dbl_ (Failed) 91 - h5ac_cpx_lng_dbl_ (Failed) 536 - h5d_pr_dbl_cpx_dbl_ (Failed) 537 - h5dc_pr_dbl_cpx_dbl_ (Failed) 538 - h5a_pr_dbl_cpx_dbl_ (Failed) 539 - h5ac_pr_dbl_cpx_dbl_ (Failed) 612 - python_hlist_test (Failed) 613 - python_mcdata (Failed) 614 - python_pyhdf5 (Failed) Errors while running CTest Which of these should I worry about? All the programs in the tutorial seem to run fine. Regards, Rajeev

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Re: [ALPS-users] Transverse magnetisation measurement
by Matthias Troyer 19 Mar '12

19 Mar '12

Hi Simon, with SU(2) symmetry the mean transverse magnetization is always 0 by definition. Matthias On 19 Mar 2012, at 09:14, Simon Ward wrote: > Hi, > > I'm using the spin model and SU(2) symmetry is currently preserved. > > Regards, > > Simon > > > On Mon, 2012-03-19 at 07:31 -0700, Matthias Troyer wrote: >> Hi Simon >> >> What is your model? Is it SU(2)symmetric? >> >> Matthias >> >> >> >> >> On Mar 19, 2012, at 2:55, "Ward Simon" <Simon.Ward(a)psi.ch> wrote: >> >>> Hello all, >>> >>> I have defined a set of S=1/2 3D lattices and would like to measure the transverse magnetisation (mx) in a longitudinal field using the dirloop_sse application. I presume a modification to the source/model files are needed to achieve this but I currently do not know where to start. >>> >>> Many thanks for your help and time in advance, >>> >>> S Ward >>> >

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Re: [ALPS-users] Transverse magnetisation measurement
by Matthias Troyer 19 Mar '12

19 Mar '12

Hi Simon What is your model? Is it SU(2)symmetric? Matthias On Mar 19, 2012, at 2:55, "Ward Simon" <Simon.Ward(a)psi.ch> wrote: > Hello all, > > I have defined a set of S=1/2 3D lattices and would like to measure the transverse magnetisation (mx) in a longitudinal field using the dirloop_sse application. I presume a modification to the source/model files are needed to achieve this but I currently do not know where to start. > > Many thanks for your help and time in advance, > > S Ward >

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

12 Mar '12

Hi, I would like to ask about the definition of the honeycomb lattice in the lib. Firstly, the honeycomb unitcell has 2 sites at positions (0,0) and (-0.28866...,0.57734...). I do not understand the second coordinate. Secondly, is it necessary to have different edge types although they represent the same bond connecting nearest neighbour? Regards, Mike

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