September 2013 - Comp-phys-alps-users

Inconsistent comment in generate_spline_matrix in the DMFT folder
by Kuangshing Chen 22 Jul '15

22 Jul '15

Hi, The function generate_spline_matrix in fouriertransform.C in the dmft folder shows the comments as follows: // A is the matrix whose inverse defines spline_matrix // // 6 6 // 1 4 1 // 1 4 1 // A = ... // // 1 4 1 // -2 0 0 2 However, the following codes, dense_matrix A = 4*dt/6.*boost::numeric::ublas::identity_matrix<double>(Np1); for (int i=1; i<Np1-1; i++) { A(i,i-1) = dt/6.; A(i,i+1) = dt/6.; } A(0,0) = 1.; A(0, Np1-1) = 1.; A(Np1-1, 0) = -2.*dt/6.; A(Np1-1, 1) = -1.*dt/6.; A(Np1-1, Np1-2) = 1*dt/6.; A(Np1-1, Np1-1) = 2*dt/6.; the red lines will make the matrix looks like // 6 6 // 1 4 1 // 1 4 1 // A = ... // // 1 4 1 // -2 *-1* *1* 2 Is the comment correct or the code correct? Any reference for this algorithm? Thank you, Kuang-Shing Chen

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Complex site- and bond-operators
by pradeep thakur 30 Sep '13

30 Sep '13

Dear All, How can I introduce "i" (square-root of -1) into the model library (models.xml file)? I'm unable to define new site- and bond-operators which involve "i". Any help will be very much appreciated. With regards, Pradeep Thakur Dept. of Physics., University of Pune, Pune, Maharashtra, INDIA.

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error bars in dirloop_sse code
by Tao Ying 28 Sep '13

28 Sep '13

Dear developers, I'm using the ALPS dirloop_sse code to simulate the hard core boson. I have one question about the error bars from the code. How the error bars are obtained in this code? Does it assume the autocorrelation time is short? I mean, is it assuming every measurement is statistically independent? Or is the code doing different binnings? Best, TaoYing -- Tao Ying, Ph.D candidate, Physics department Harbin Institute of Technology

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Re: [ALPS-users] Time propagation in TEBD stops prematurely/Obtaining wavefunctions in TEBD
by Joseph Prentice 19 Sep '13

19 Sep '13

Hi Michael, Thanks for checking my code, there must be something wrong at my end somewhere. I'll see what I can do in terms of the cluster. I did have another question, which is whether it is possible to extract the wave function from the HDF5 files produced by TEBD? Can this be done using the pyalps.hdf5 module? Thanks, Joseph On 19 Sep 2013, at 11:00, <comp-phys-alps-users-request(a)lists.phys.ethz.ch> <comp-phys-alps-users-request(a)lists.phys.ethz.ch> wrote: > Send Comp-phys-alps-users mailing list submissions to > comp-phys-alps-users(a)lists.phys.ethz.ch > > To subscribe or unsubscribe via the World Wide Web, visit > https://lists.phys.ethz.ch/listinfo/comp-phys-alps-users > or, via email, send a message with subject or body 'help' to > comp-phys-alps-users-request(a)lists.phys.ethz.ch > > You can reach the person managing the list at > comp-phys-alps-users-owner(a)lists.phys.ethz.ch > > When replying, please edit your Subject line so it is more specific > than "Re: Contents of Comp-phys-alps-users digest..." > > > Today's Topics: > > 1. Re: Time propagation in TEBD stops prematurely (Michael Wall) > 2. Re: Making the scheduler switch tasks, obtaining MPI rank > (Peter Br?cker) > 3. Re: Making the scheduler switch tasks, obtaining MPI rank > (Matthias Troyer) > > > ---------------------------------------------------------------------- > > Message: 1 > Date: Wed, 18 Sep 2013 08:48:45 -0600 > From: Michael Wall <mwall.physics(a)gmail.com> > To: comp-phys-alps-users(a)lists.phys.ethz.ch > Subject: Re: [ALPS-users] Time propagation in TEBD stops prematurely > Message-ID: > <CA+DwVMrz2Y_1Kz7yDSyEqALjskd0iavzFM_9_KTMjPiNzkSzJA(a)mail.gmail.com> > Content-Type: text/plain; charset="iso-8859-1" > > Hi Joseph, > > Your code runs without stopping for me well past 5 time units. Is there a > time limit for jobs on your cluster? You may also check any memory > restrictions and make sure you are not going over them. Otherwise, I am > not able to reproduce this problem. > > -Michael > > > On Mon, Sep 16, 2013 at 4:10 AM, Joseph Prentice < > Joseph.Prentice(a)physics.ox.ac.uk> wrote: > >> Hi Michael, >> >> Unfortunately, the fix you suggested, deleting one of my quenches, only >> worked for a little bit (although I had to change it a little, by making >> POW 1 instead of 0 - otherwise the quench did not occur at all). As I've >> increased Chi up to around 800, I've encountered the same issue as before - >> namely that the program just stops at around t=5 in the real time >> propagation when it should continue to t=15, with no error message at all. >> The parameters of my new Python script, incorporating the suggestion from >> before is below. Is there anything else I can do? I'm running on a Linux >> cluster. Any help would be brilliant. >> >> Thank you very much, >> Joseph >> >> Python script parameters: >> parms = [ { >> 'L' >> : 128, >> 'MODEL' >> : 'spin', >> 'local_S' >> : 0.5, >> 'CONSERVED_QUANTUMNUMBERS' : 'Sz', >> 'Sz' >> : 0, >> 'Jxy' >> : 1, >> 'Jz' >> : 3.0, >> 'ITP_CHIS' >> : [80, 80], >> 'ITP_DTS' >> : [0.05, 0.025], >> 'ITP_CONVS' : >> [1E-10, 1E-11], >> 'INITIAL_STATE' : >> 'ground', >> 'CHI_LIMIT' >> : 800, >> 'TRUNC_LIMIT' : >> 1E-12, >> 'NUM_THREADS' : 1, >> 'TAUS' >> : [15.0], >> 'POWS' >> : [1.0], >> 'GS' >> : ['Jz'], >> 'GIS' >> : [6.0], >> 'GFS' >> : [6.0], >> 'NUMSTEPS' >> : [625], >> 'STEPSFORSTORE' : [10], >> 'VERBOSE' >> : 'true' >> } ] >> >> On 22 Aug 2013, at 11:00, <comp-phys-alps-users-request(a)lists.phys.ethz.ch >>> >> <comp-phys-alps-users-request(a)lists.phys.ethz.ch> wrote: >> >>> Send Comp-phys-alps-users mailing list submissions to >>> comp-phys-alps-users(a)lists.phys.ethz.ch >>> >>> To subscribe or unsubscribe via the World Wide Web, visit >>> https://lists.phys.ethz.ch/listinfo/comp-phys-alps-users >>> or, via email, send a message with subject or body 'help' to >>> comp-phys-alps-users-request(a)lists.phys.ethz.ch >>> >>> You can reach the person managing the list at >>> comp-phys-alps-users-owner(a)lists.phys.ethz.ch >>> >>> When replying, please edit your Subject line so it is more specific >>> than "Re: Contents of Comp-phys-alps-users digest..." >>> >>> >>> Today's Topics: >>> >>> 1. Alps 2.1.2 r6963 hybridization expansion: No parameter >>> available (backes(a)th.physik.uni-frankfurt.de) >>> 2. Time propagation in TEBD stops prematurely (Joseph Prentice) >>> 3. Re: Alps 2.1.2 r6963 hybridization expansion: No parameter >>> available (Emanuel Gull) >>> 4. Re: Alps 2.1.2 r6963 hybridization expansion: No parameter >>> available (Hartmut Hafermann) >>> 5. Re: Time propagation in TEBD stops prematurely (Michael Wall) >>> 6. Re: Alps 2.1.2 r6963 hybridization expansion: No parameter >>> available (backes(a)th.physik.uni-frankfurt.de) >>> >>> >>> ---------------------------------------------------------------------- >>> >>> Message: 1 >>> Date: Wed, 21 Aug 2013 13:51:25 +0200 >>> From: backes(a)th.physik.uni-frankfurt.de >>> To: comp-phys-alps-users(a)lists.phys.ethz.ch >>> Subject: [ALPS-users] Alps 2.1.2 r6963 hybridization expansion: No >>> parameter available >>> Message-ID: >>> < >> 70b90575915bdffa61ec46f7481c0ecb.squirrel(a)th.physik.uni-frankfurt.de> >>> Content-Type: text/plain;charset=utf-8 >>> >>> Dear all, >>> >>> I want to use the newest version of the ALPS Hybridization Expansion >>> Impurity Solver from the nightly build 2.1.2-r6963. >>> Compilation is successful, but when running the solver with a simple test >>> case I get the following Error (I shortened the paths for readability): >>> >>>> hybridization parm.h5 >>> >>> terminate called after throwing an instance of 'std::runtime_error' >>> what(): No parameter available >>> In [..]/alps/src/alps/ngs/detail/paramproxy.hpp on 78 in cast >>> >> [..]applications/dmft/qmc/hybridization(_ZNK4alps6detail10paramproxy4castIiEET_v+0x13d) >>> [0x42dbad] >>> >> [..]applications/dmft/qmc/hybridization(_ZN13hybridizationC1ERKN4alps6paramsEi+0x10b8) >>> [0x43f968] >>> [..]applications/dmft/qmc/hybridization(main+0x103) [0x41dfe3] >>> /lib64/libc.so.6(__libc_start_main+0xfd) [0x7ffff415fcdd] >>> [..]applications/dmft/qmc/hybridization() [0x41d409] >>> >>> I tested a previous version 2.1.1-r6670 with identical compilation >> process >>> on the same input files and it works flawlessly. >>> >>> There seem to be some significant changes in this version: There is a new >>> hybridization2 folder in applications/dmft/qmc/ and also the >> Documentation >>> inside this directory vanished. Do I have to change something in my >>> parm.h5 input file for this new version? >>> >>> Thanks for your help. >>> Best wishes, >>> Steffen >>> >>> >>> >>> ------------------------------ >>> >>> Message: 2 >>> Date: Wed, 21 Aug 2013 12:05:05 +0000 >>> From: Joseph Prentice <Joseph.Prentice(a)physics.ox.ac.uk> >>> To: "comp-phys-alps-users(a)lists.phys.ethz.ch" >>> <comp-phys-alps-users(a)lists.phys.ethz.ch> >>> Subject: [ALPS-users] Time propagation in TEBD stops prematurely >>> Message-ID: >>> <747861816F6A5C47BE50FCA07F5B2B4A0E25BB(a)EXCHNG16.physics.ox.ac.uk> >>> Content-Type: text/plain; charset="us-ascii" >>> >>> Hi all, >>> >>> I'm having a bit of trouble with getting a quench using the XXZ model to >> run in TEBD. I'm running the job on a Linux cluster, quenching Delta >> instantaneously from 3 to 6, and the program stops earlier than it should. >> I turned on the Verbose option, and it seems as though the imaginary time >> propagation works fine, but the real time propagation stops prematurely, >> with no error message. Does anyone have any idea why this has happened? It >> seems very odd. I will attach my Python script in case there is something >> wrong with it, and the output I obtained. >>> >>> Thanks very much, >>> >>> Joseph Prentice >>>

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Making the scheduler switch tasks, obtaining MPI rank
by Peter Bröcker 19 Sep '13

19 Sep '13

Hello, I am using the ALPS libraries for scheduling and observable handling. I typically have more tasks than cores, especially when debugging on my personal computer. Is it possible to make the scheduler start say the first four jobs and when it's time to write a checkpoint switch to the next four instead of continuing with the first until they are finished? Also for debugging purposes, I print out some messages along the way and it would help to know which process printed them. Is the MPI rank saved somewhere or do I have to obtain it myself? Best regards, Peter

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Re: [ALPS-users] Time propagation in TEBD stops prematurely
by Joseph Prentice 18 Sep '13

18 Sep '13

Hi Michael, Unfortunately, the fix you suggested, deleting one of my quenches, only worked for a little bit (although I had to change it a little, by making POW 1 instead of 0 - otherwise the quench did not occur at all). As I've increased Chi up to around 800, I've encountered the same issue as before - namely that the program just stops at around t=5 in the real time propagation when it should continue to t=15, with no error message at all. The parameters of my new Python script, incorporating the suggestion from before is below. Is there anything else I can do? I'm running on a Linux cluster. Any help would be brilliant. Thank you very much, Joseph Python script parameters: parms = [ { 'L' : 128, 'MODEL' : 'spin', 'local_S' : 0.5, 'CONSERVED_QUANTUMNUMBERS' : 'Sz', 'Sz' : 0, 'Jxy' : 1, 'Jz' : 3.0, 'ITP_CHIS' : [80, 80], 'ITP_DTS' : [0.05, 0.025], 'ITP_CONVS' : [1E-10, 1E-11], 'INITIAL_STATE' : 'ground', 'CHI_LIMIT' : 800, 'TRUNC_LIMIT' : 1E-12, 'NUM_THREADS' : 1, 'TAUS' : [15.0], 'POWS' : [1.0], 'GS' : ['Jz'], 'GIS' : [6.0], 'GFS' : [6.0], 'NUMSTEPS' : [625], 'STEPSFORSTORE' : [10], 'VERBOSE' : 'true' } ] On 22 Aug 2013, at 11:00, <comp-phys-alps-users-request(a)lists.phys.ethz.ch> <comp-phys-alps-users-request(a)lists.phys.ethz.ch> wrote: > Send Comp-phys-alps-users mailing list submissions to > comp-phys-alps-users(a)lists.phys.ethz.ch > > To subscribe or unsubscribe via the World Wide Web, visit > https://lists.phys.ethz.ch/listinfo/comp-phys-alps-users > or, via email, send a message with subject or body 'help' to > comp-phys-alps-users-request(a)lists.phys.ethz.ch > > You can reach the person managing the list at > comp-phys-alps-users-owner(a)lists.phys.ethz.ch > > When replying, please edit your Subject line so it is more specific > than "Re: Contents of Comp-phys-alps-users digest..." > > > Today's Topics: > > 1. Alps 2.1.2 r6963 hybridization expansion: No parameter > available (backes(a)th.physik.uni-frankfurt.de) > 2. Time propagation in TEBD stops prematurely (Joseph Prentice) > 3. Re: Alps 2.1.2 r6963 hybridization expansion: No parameter > available (Emanuel Gull) > 4. Re: Alps 2.1.2 r6963 hybridization expansion: No parameter > available (Hartmut Hafermann) > 5. Re: Time propagation in TEBD stops prematurely (Michael Wall) > 6. Re: Alps 2.1.2 r6963 hybridization expansion: No parameter > available (backes(a)th.physik.uni-frankfurt.de) > > > ---------------------------------------------------------------------- > > Message: 1 > Date: Wed, 21 Aug 2013 13:51:25 +0200 > From: backes(a)th.physik.uni-frankfurt.de > To: comp-phys-alps-users(a)lists.phys.ethz.ch > Subject: [ALPS-users] Alps 2.1.2 r6963 hybridization expansion: No > parameter available > Message-ID: > <70b90575915bdffa61ec46f7481c0ecb.squirrel(a)th.physik.uni-frankfurt.de> > Content-Type: text/plain;charset=utf-8 > > Dear all, > > I want to use the newest version of the ALPS Hybridization Expansion > Impurity Solver from the nightly build 2.1.2-r6963. > Compilation is successful, but when running the solver with a simple test > case I get the following Error (I shortened the paths for readability): > >> hybridization parm.h5 > > terminate called after throwing an instance of 'std::runtime_error' > what(): No parameter available > In [..]/alps/src/alps/ngs/detail/paramproxy.hpp on 78 in cast > [..]applications/dmft/qmc/hybridization(_ZNK4alps6detail10paramproxy4castIiEET_v+0x13d) > [0x42dbad] > [..]applications/dmft/qmc/hybridization(_ZN13hybridizationC1ERKN4alps6paramsEi+0x10b8) > [0x43f968] > [..]applications/dmft/qmc/hybridization(main+0x103) [0x41dfe3] > /lib64/libc.so.6(__libc_start_main+0xfd) [0x7ffff415fcdd] > [..]applications/dmft/qmc/hybridization() [0x41d409] > > I tested a previous version 2.1.1-r6670 with identical compilation process > on the same input files and it works flawlessly. > > There seem to be some significant changes in this version: There is a new > hybridization2 folder in applications/dmft/qmc/ and also the Documentation > inside this directory vanished. Do I have to change something in my > parm.h5 input file for this new version? > > Thanks for your help. > Best wishes, > Steffen > > > > ------------------------------ > > Message: 2 > Date: Wed, 21 Aug 2013 12:05:05 +0000 > From: Joseph Prentice <Joseph.Prentice(a)physics.ox.ac.uk> > To: "comp-phys-alps-users(a)lists.phys.ethz.ch" > <comp-phys-alps-users(a)lists.phys.ethz.ch> > Subject: [ALPS-users] Time propagation in TEBD stops prematurely > Message-ID: > <747861816F6A5C47BE50FCA07F5B2B4A0E25BB(a)EXCHNG16.physics.ox.ac.uk> > Content-Type: text/plain; charset="us-ascii" > > Hi all, > > I'm having a bit of trouble with getting a quench using the XXZ model to run in TEBD. I'm running the job on a Linux cluster, quenching Delta instantaneously from 3 to 6, and the program stops earlier than it should. I turned on the Verbose option, and it seems as though the imaginary time propagation works fine, but the real time propagation stops prematurely, with no error message. Does anyone have any idea why this has happened? It seems very odd. I will attach my Python script in case there is something wrong with it, and the output I obtained. > > Thanks very much, > > Joseph Prentice >

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Re: [ALPS-users] Comp-phys-alps-users Digest, Vol 89, Issue 9
by Joseph Prentice 11 Sep '13

11 Sep '13

Hi Michael, sorry I've been slow on the reply, I didn't see this response. Thank you very much, this seems to have worked! My code had worked for lower Chi values, but when I increased the Chi value beyond a certain point, I experienced the problem I mentioned. Thank you for solving it! Joseph ------------------------------ Message: 2 Date: Wed, 21 Aug 2013 12:05:05 +0000 From: Joseph Prentice <Joseph.Prentice(a)physics.ox.ac.uk> To: "comp-phys-alps-users(a)lists.phys.ethz.ch" <comp-phys-alps-users(a)lists.phys.ethz.ch> Subject: [ALPS-users] Time propagation in TEBD stops prematurely Message-ID: <747861816F6A5C47BE50FCA07F5B2B4A0E25BB(a)EXCHNG16.physics.ox.ac.uk> Content-Type: text/plain; charset="us-ascii" Hi all, I'm having a bit of trouble with getting a quench using the XXZ model to run in TEBD. I'm running the job on a Linux cluster, quenching Delta instantaneously from 3 to 6, and the program stops earlier than it should. I turned on the Verbose option, and it seems as though the imaginary time propagation works fine, but the real time propagation stops prematurely, with no error message. Does anyone have any idea why this has happened? It seems very odd. I will attach my Python script in case there is something wrong with it, and the output I obtained. Thanks very much, Joseph Prentice

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Re: [ALPS-users] Installing TEBD using MacPorts
by Joseph Prentice 11 Sep '13

11 Sep '13

Ah, OK. Thank you very much, I'll have a go with the binaries. Joseph ---------------------------------------------------------------------- Message: 1 Date: Tue, 10 Sep 2013 11:41:45 +0000 From: Joseph Prentice <Joseph.Prentice(a)physics.ox.ac.uk> To: "comp-phys-alps-users(a)lists.phys.ethz.ch" <comp-phys-alps-users(a)lists.phys.ethz.ch> Subject: [ALPS-users] Installing TEBD using MacPorts Message-ID: <747861816F6A5C47BE50FCA07F5B2B4A0E2C10(a)EXCHNG16.physics.ox.ac.uk> Content-Type: text/plain; charset="us-ascii" Hi all, I'm trying to get TEBD installed on an iMac running OSX 10.7.5 using MacPorts. The basic ALPS package installs fine, but TEBD is not installed with this, and I can't see any variants or so on to allow me to install the TEBD section of the code too. I presume that to create such a variant would mean editing the portfile in some way, but I wondered whether there was an easier method I could do myself in the Terminal. Does anyone know the best way to get TEBD installed using MacPorts? Thank you very much, Joseph Prentice ------------------------------ Message: 2 Date: Tue, 10 Sep 2013 14:14:39 +0200 From: Matthias Troyer <troyer(a)phys.ethz.ch> To: comp-phys-alps-users(a)lists.phys.ethz.ch Subject: Re: [ALPS-users] Installing TEBD using MacPorts Message-ID: <33FCA1CF-CD9A-490D-A651-EBB81CE9EB7D(a)phys.ethz.ch> Content-Type: text/plain; charset=us-ascii TEBD is a Fortran code and requires consistent installation of the Fortran HDF5 libraries. This is hard to do. If you need TEBD on the Mac I suggest that you download the binary Mac installer for ALPS Matthias On Sep 10, 2013, at 1:41 PM, Joseph Prentice <Joseph.Prentice(a)physics.ox.ac.uk> wrote: > Hi all, > > I'm trying to get TEBD installed on an iMac running OSX 10.7.5 using MacPorts. The basic ALPS package installs fine, but TEBD is not installed with this, and I can't see any variants or so on to allow me to install the TEBD section of the code too. I presume that to create such a variant would mean editing the portfile in some way, but I wondered whether there was an easier method I could do myself in the Terminal. Does anyone know the best way to get TEBD installed using MacPorts? > > Thank you very much, > > Joseph Prentice End of Comp-phys-alps-users Digest, Vol 90, Issue 4 ***************************************************

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Installing TEBD using MacPorts
by Joseph Prentice 10 Sep '13

10 Sep '13

Hi all, I'm trying to get TEBD installed on an iMac running OSX 10.7.5 using MacPorts. The basic ALPS package installs fine, but TEBD is not installed with this, and I can't see any variants or so on to allow me to install the TEBD section of the code too. I presume that to create such a variant would mean editing the portfile in some way, but I wondered whether there was an easier method I could do myself in the Terminal. Does anyone know the best way to get TEBD installed using MacPorts? Thank you very much, Joseph Prentice

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[ALPS-user] Simulate fermion Hubbard using dirloop_sse
by Tao Ying 08 Sep '13

08 Sep '13

Dear developers, I want to simulate the fermion Hubbard model using dirloop_sse, how can I write the parameter file? I did the following: LATTICE="square lattice"; L=8; W=8; MODEL="fermion Hubbard"; U = 5.0; V = 0.0; t = 1.0; T = 0.05; SWEEPS=2000; THERMALIZATION=5000; { mu=0.0; } Then an error occured: Cannot convert fermionic operator to a bosonic matrix. What's wrong with it? If I want to measure the structure factor or correlation function, do I need to add the following in the parameter file? REPRESENTATION="SSE"; MEASURE[Correlations]=true; MEASURE[Structure Factor]=true; MEASURE[Green Function]=true; Best, TaoYing -- Tao Ying, Ph.D candidate, Physics department Harbin Institute of Technology

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