January 2012 - 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

5 25

ALPS 2.0.1 released
by Matthias Troyer 19 Sep '12

19 Sep '12

Dear ALPS users, ALPS 2.0.1 has been released. This is the version included with the ALPS paper: B. Bauer et al., J. Stat. Mech. (2011) P05001, which is available at : http://www.iop.org/EJ/abstract/1742-5468/2011/05/P05001 .Besides references to this paper, this release contains many minor bug fixes. The MacOS X 10.5 binary release will be uploaded shortly. The others are ready for download. Best regards Matthias Troyer

4 33

Fwd: [Pitp-cmt] Summer School on "New trends in computational approaches for many-body systems"
by Matthias Troyer 31 Jan '12

31 Jan '12

Begin forwarded message: > From: "Swarn Rai" <pitpoffice(a)phas.ubc.ca> > Subject: [Pitp-cmt] Summer School on "New trends in computational approaches for many-body systems" > Date: 11 January 2012 19:42:14 CET > To: <pitp-cmt(a)phas.ubc.ca> > > Dear Colleague, > > We would appreciate if you could bring to the attention of your PhD > students, the following Summer School on "New trends in computational > approaches for many-body systems" > <http://pitp.phas.ubc.ca/confs/sherbrooke2012/index.html> > http://pitp.phas.ubc.ca/confs/sherbrooke2012/index.html It follows the > pedagogical model of a successful school held in 2008 on a similar topic. > > Approaches based on both model Hamiltonians and ab initio methods will be > treated. Many of the numerical methods that will be discussed in this School > are still in development, or so recent that one may expect dramatic > improvements and breakthroughs in the near future. Projected Entangled > States and Multi-scale Entanglement Renormalization Ansatz, Worm algorithms > and Quantum Cluster Methods are prime examples. This methodology is > essential for treating cold atoms, pnictides, heavy fermions, > high-Temperature Superconductivity, interfaces of complex oxides and many > more problems. > > Hands-on training on Abinit ( <http://www.abinit.org/> > http://www.abinit.org/ ) and ALPS ( <http://alps.comp-phys.org/> > http://alps.comp-phys.org/ ) codes will be an integral part of the School. > > There is no registration fee. Room and board for two weeks ranges from > $1,000 CND to $1,400$ CND ($1_CND ~$1USD). Financial support is available > for exceptional students that cannot be supported by research grants. > > Students can obtain the equivalent of a 3 credit graduate course (45 h) from > Sherbrooke University. It can applied to their degree at their home > institution if transfer of credit is allowed. > > Best regards, > > The organizing committee: > > André-Marie Tremblay (Sherbrooke) > Massimo Boninsegni (Alberta) > Michel Côté (Montreal) > Roger Melko (Waterloo) > David Sénéchal ((Sherbrooke) > Matthias Troyer (ETH) > Guifre Vidal (Perimeter) > > > _______________________________________________ > Pitp-cmt mailing list > Pitp-cmt(a)phas.ubc.ca > http://mailman.phas.ubc.ca/mailman/listinfo/pitp-cmt

1 0

spin-1 with effective magnetic field at edges
by Javad Vahedi 31 Jan '12

31 Jan '12

Dear M. Troyer Thanks for your immediate comments, I have prepared the following input file, but I am not very sure that it is correct or not. I would be grateful If you check and find my mistakes. ######################################### LATTICE_LIBRARY="my_lattices.xml" LATTICE="open chain lattice with especial edges 32" MODEL="spin" local_S=1 SWEEPS=6 MAXSTATES=40 Jz=-1 Jxy=0 %h0=boundary field h0=0.5 Gamma=1 D=1 NUMBER_EIGENVALUES=2 MEASURE_AVERAGE[Magnetization]=Sz MEASURE_LOCAL[Local magnetization]=Sz %h1=bulk field { h1=0 } { h1=0.1 } { h1=0.2 } { h1=0 .3} { h1=0 4} { h1=0.5} ... %and so on ###################################### -- Best Regards Javad Vahedi, Dept. of Physics, Sari Branch of Islamic Azad University, P.O.Box 48164-194, Sari, Iran. Tel: (+98) 911 1554504 Fax: (+98)151 2256679 E-mail: javahedi(a)gmail.com javahedi(a)iausari.ac.ir

2 1

errors: installing ALPS 2.0.3 on Ubuntu 11.10
by Jin Xu 31 Jan '12

31 Jan '12

Dear Madam/Sir, I am a senior undergraduate student from Department of Physics, Zhejiang University, China. I've been trying many times to install ALPS 2.0.3 on my Ubuntu 11.10 Desktop but I failed. I will appreciate if you could help me fix the problems so that I can use python to run ALPS. The installation steps and the errors are listed below: 1. I used Ubuntu Software Center to install the dependent libraries and tools: cmake-curses-gui libboost-all-dev libhdf5-serial-dev libfftw3-dev gfortran python-matplotlib python-scipy python-h5py liblapack-dev python-qt4-gl python-qt4-sql python-vtk 2. I downloaded the Vistrails (Debian package) <http://pkgs.org/debian-wheezy/debian-main-amd64/vistrails_2.0.alpha%7E1-2_a…>and installed it. 3. I downloaded the source package (with boost) and untared it in the directory ~/Downloads. I also created a directory named build in ~/Downloads then cd /build 4. I executed: cmake -D Boost_ROOT_DIR:PATH=~/Downloads/alps-2.0.3-src-with-boost/boost ~/Downloads/alps-2.0.3-src-with-boost/alps 5. I turned ALPS_INSTALL_VISTRAILS_PACKAGES on in the file CMakeCache.txt 6. I excuted: make 7. After make test, there come some errors: 98% tests passed, 2 tests failed out of 99 Total Test time (real) = 16.81 sec The following tests FAILED: 23 - test_vector (Failed) 40 - lattice_constant_test (Failed) Errors while running CTest make: *** [test] Error 8 8. After make install, there are also some errors: CMake Error at cmake_install.cmake:54 (FILE): file cannot create directory: /usr/bin/vistrails/packages. Maybe need administrative privileges. 9. Now I still cannot run ALPS on my laptop (dmft-02-hybridization): alpspython tutorial2a.py alpspython: command not found python tutorial2a.py Traceback (most recent call last): File "tutorial2a.py", line 27, in <module> import pyalps ImportError: No module named pyalps dmft hybrid.param No command 'dmft' found, did you mean: Command 'mft' from package 'texlive-binaries' (main) dmft: command not found Cheers, Jin -- *Jin Xu* *Undergraduate Student* *Department of Physics, Zhejiang University, Hangzhou, 310027, China* *Email: jin.xu(a)ualberta.ca* *Skype Handle: trivial19891016*

2 1

spin-1 with effective magnetic field at edges
by Javad Vahedi 30 Jan '12

30 Jan '12

Dear all ALPS users I am going to run a DMRG simulation on the following one dimensional spin-1 Hamiltonian with open boundary conditions, but with effective magnetic field at both edges : H=-\sum_{j}^{N-1}S^z_{j}S^z_{j}S^z_{j+1} + D\sum_{j}^{N}(S^z_{j})^2 - h\sum_{j}^{N}S^z_{j} -B\sum_{j}^{N}S^x_{j} + h_{eff}(S_1+S_N), Indeed in the absence of the effective magnetic field the procedure is straightforward, but I don't see how to modified the lattice or any other requirements to go further Any help would be appreciated. Thanks, Javad Vahedi, Dept. of Physics, Sari Branch of Islamic Azad University, P.O.Box 48164-194, Sari, Iran. Tel: (+98) 911 1554504 Fax: (+98)151 2256679 E-mail: javahedi(a)gmail.com javahedi(a)iausari.ac.ir

2 1

DMRG to Heisenberg Chain with Periodic Boundary Conditiion
by 潘丽华 28 Jan '12

28 Jan '12

Dear Matthias or all users community, I am wondering if the ALPS DMRG code in the version 1.3.2 can be applied to quasi-one dimensional Heisenberg chain with Periodic Boundary condition. Best Regards For You! Sincerely, Lihua Pan

2 1

S-Squared operator
by Stone, Matthew B. 24 Jan '12

24 Jan '12

Has anyone written an ALPS operator for the operator S^2 for a general number of spins in a system? For example, I would like to list the Sztotal and S^2 values for different energy levels calculated. The S^2 operator can be written as S^2 = (S_1 + S_2 + S_3 +...)^2 where S_1, S_2, etc. are the vector operators. for two spins one can write this as S^2 = (S_1 + S_2)^2 = (S_1)^2 + (S_2)^2 + 2 S_1 \dot S_2 = s(s+1) + s(s+1) + 2S_{1z}S_{2z} + S_{1+}S_{2-} + S_{1-}S_{2+} But I don't see how to generalize this for a system of many spins using the ALPS "spin" sitebasis and basis in order to have this operator value listed in the output calculations. Any help would be appreciated. Thanks, Matthew B. Stone Neutron Scattering Science Division Oak Ridge National Laboratory PO box 2008 MS6475 Oak Ridge, TN 37831-6475 Phone: 1-865-202-6898 Fax: 1-865-574-6080

2 1

Re: [ALPS-users] Comp-phys-alps-users Digest, Vol 70, Issue 12
by Andrew James 22 Jan '12

22 Jan '12

He doesn't seem bothered. Not wet enough. On Jan 22, 2012 6:00 AM, <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: SEED Parameter (Matthias Troyer) > 2. Re: SEED Parameter (Marcelo Guimar?es) > 3. Re: SEED Parameter (Evgeni Burovski) > 4. Re: SEED Parameter (Marcelo Guimar?es) > 5. Re: SEED Parameter (Matthias Troyer) > 6. Re: Parsing Error - Cannot use Most ALPS Programs > (Matthias Troyer) > > > ---------------------------------------------------------------------- > > Message: 1 > Date: Sat, 21 Jan 2012 13:24:31 +0100 > From: Matthias Troyer <troyer(a)phys.ethz.ch> > To: comp-phys-alps-users(a)lists.phys.ethz.ch > Subject: Re: [ALPS-users] SEED Parameter > Message-ID: <D84D5AF0-0918-479A-BA5C-F5929190C858(a)phys.ethz.ch> > Content-Type: text/plain; charset=iso-8859-1 > > Hi Marcello, > > Indeed if the same SEED is used you get the same results if the same code > is taken. However, dirloop_sse was completely rewritten between 1.3 and > 2.0. It is a new code. Thus the results should now only agree within error > bars. > > Matthias > > On Jan 20, 2012, at 6:56 PM, Marcelo Guimar?es wrote: > > > Dear All, > > > > I was wondering if using the same SEED parameter with the dirloop_sse > application in different runs should produce exactly the same results. > > > > It is defined as " The random number seed used in the next run.". But I > failed to produce the same results with alps 1.35 or with alps 2.02. > > > > > > Regards, > > > > Marcelo Guimar?es > > > > ------------------------------ > > Message: 2 > Date: Sat, 21 Jan 2012 12:19:24 -0200 > From: Marcelo Guimar?es <marcelosg(a)gmail.com> > To: comp-phys-alps-users(a)lists.phys.ethz.ch > Subject: Re: [ALPS-users] SEED Parameter > Message-ID: > <CA+RJ+21cenJ9GVuLXC9ger8RPE=Zwac55LbRdn8aP6otDs84mQ(a)mail.gmail.com > > > Content-Type: text/plain; charset="iso-8859-1" > > Dear Matthias, > > Thank you for your answer. But I think I did not made myself clear. > > I used the same input file , and ran it twice with alps 1.35 obtaining > different results in each run. Using the same input file and running twice > with alps 2.00.rc4 I got different results. All 4 results were different > from each other. > > I could not obtain exactly the same results even using the same code and > the same SEED in either versions. Am I doing something wrong? Or the result > could never actually be the same? > > In case it helps, this is the input file used in all runs: > FILE:parameter > > LATTICE="simple cubic lattice" > MODEL = "spin" > ALGORITHM="sse" > MEASURE[Structure Factor]=false > MEASURE[Correlations]=false > MEASURE[Specific Heat]=true > MEASURE[Stiffness]=true > MEASURE[Magnetization]=true > WHICH_LOOP_TYPE="locopt" > EPSILON=0.5 > local_S=1 > J=-1 > J0=-1 > J1=-1 > Jz=0 > Jz'=0 > {THERMALIZATION=10000;L=04;BETA=0.10;SWEEPS=1000;D=10.0;SEED=814} > > I converted it with parameter2xml > > Then I executed the dirloop_see v1.1 for alps 1.3.5: > dirloop_sse --Tmin=10 parameter.in.xml > > with the result: > ... > <SCALAR_AVERAGE name="Energy"> > <COUNT>8519</COUNT> > <MEAN method="simple">250.472</MEAN> > ... > Then I repeated the command: > dirloop_sse --Tmin=10 parameter.in.xml > > and obtained the result: > ... > <SCALAR_AVERAGE name="Energy"> > <COUNT>3009</COUNT> > <MEAN method="simple">250.553</MEAN> > ... > > The same goes for the dirloop 4.1 based on alps 2.0.0rc4 code: > same parameters same SEED: > > After extracting values with "convert2xml parameter.task1.out.run1" the > 1st run produced: > <SCALAR_AVERAGE name="Energy"> > <COUNT>1473</COUNT> > <MEAN method="simple">251.784</MEAN> > > And in the 2nd run: > <SCALAR_AVERAGE name="Energy"> > <COUNT>16076</COUNT> > <MEAN method="simple">250.616</MEAN> > > > Marcelo Guimar?es > > > 2012/1/21 Matthias Troyer <troyer(a)phys.ethz.ch> > > > Hi Marcello, > > > > Indeed if the same SEED is used you get the same results if the same code > > is taken. However, dirloop_sse was completely rewritten between 1.3 and > > 2.0. It is a new code. Thus the results should now only agree within > error > > bars. > > > > Matthias > > > > On Jan 20, 2012, at 6:56 PM, Marcelo Guimar?es wrote: > > > > > Dear All, > > > > > > I was wondering if using the same SEED parameter with the dirloop_sse > > application in different runs should produce exactly the same results. > > > > > > It is defined as " The random number seed used in the next run.". But I > > failed to produce the same results with alps 1.35 or with alps 2.02. > > > > > > > > > Regards, > > > > > > Marcelo Guimar?es > > > > >

1 0

SEED Parameter
by Marcelo Guimarães 22 Jan '12

22 Jan '12

Dear All, I was wondering if using the same SEED parameter with the dirloop_sse application in different runs should produce exactly the same results. It is defined as " The random number seed used in the next run.". But I failed to produce the same results with alps 1.35 or with alps 2.02. Regards, Marcelo Guimarães

3 6