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

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

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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 > > > > >

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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

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Parsing Error - Cannot use Most ALPS Programs
by Dan Thompson 21 Jan '12

21 Jan '12

The following error is returned when I use ALPS 2.0.1 on my linux cluster and I am concerned I might have an installation error: Did not parse to end of string 'DEPLETION' > It first appeared when I was using the loop qmc program. The program would exit prematurely right after it began parsing task files. I tried running the loop tutorials to make sure there wasn't something wrong with my parameter files. The same error appears right after "parsing task files ..." is outputted. I have tested some of the other ALPS programs (dirloop_sse, dmrg, sparsediag, and worm) according to the tutorials and I am receiving the same error. There is an older installation of ALPS on the same cluster that was installed last summer and if I try running loop or some other other programs by changing my path variable, everything works fine. Has anyone seen this error before? Cheers, -Dan

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states and excitations of S=1 cluster
by Stone, Matthew B. 06 Jan '12

06 Jan '12

ALPS-users, I am investigating the excitations of a Heisenberg exchange coupled S=1 spin cluster as a function of applied magnetic field and temperature. All exchange constants are antiferromagnetic, and the system can be thought of as a collection of a weakly coupled dimers. I am starting with just 6 spins and will increase the elements later. There are two exchanges and a single ion anisotropy term (D) included in the Hamiltonian. The GRAPH and HAMILTONIAN are pasted at the end of this message. For a given temperature and magnetic field, I would like to calculate the energy, S total quantum number , and Sz total quantum number of the ground state and its excitations. The total spin quantum number S, corresponds to the sum of the spin vectors squared: S^2 = (S_1 + S_2 + S_3 + ...)^2, and the Sz total quantum number corresponds to the sum of the S_nz values. Sz = S_1z + S_2z + S_3z + ... Which algorithm do you suggest using for this problem? Eventually, I would like to extend the lattice to 12 spins and larger if possible. Ultimately, I would like to know the ~10 lowest energy states and their S and Sz quantum numbers as a function of applied magnetic field. I am a beginner at ALPS, and have worked through some of the tutorials. Any suggestions would be very much appreciated. Thanks, Matthew Stone ----- dimerplanegraph.xml file----- <LATTICES>  <GRAPH name="3dimers1plane" vertices="6"> <VERTEX id="1"></VERTEX> <VERTEX id="2"></VERTEX> <VERTEX id="3"></VERTEX> <VERTEX id="4"></VERTEX> <VERTEX id="5"></VERTEX> <VERTEX id="6"></VERTEX> <EDGE type="0" source="1" target="2"/> <EDGE type="0" source="3" target="4"/> <EDGE type="0" source="5" target="6"/> <EDGE type="1" source="2" target="4"/> <EDGE type="1" source="2" target="6"/> <EDGE type="1" source="4" target="6"/> <EDGE type="1" source="1" target="3"/> <EDGE type="1" source="1" target="5"/> <EDGE type="1" source="3" target="5"/> </GRAPH> </LATTICES> ----------------------------------------------- -----model-dspin.xml file----- <MODELS> <HAMILTONIAN name="BaMnO"> <PARAMETER name="J0" default="J"/> <PARAMETER name="J1" default="J"/> <PARAMETER name="J" default="1"/> <PARAMETER name="h" default="0"/> <PARAMETER name="D" default="0"/> <BASIS ref="mixed spin"/> <SITETERM site="i"> -h*Sz(i) + D*Sz(i)*Sz(i) </SITETERM> <BONDTERM type="0" source="i" target="j"> J0*Sz(i)*Sz(j)+J0/2*(Splus(i)*Sminus(j)+Sminus(i)*Splus(j)) </BONDTERM> <BONDTERM type="1" source="i" target="j"> J1*Sz(i)*Sz(j)+J1/2*(Splus(i)*Sminus(j)+Sminus(i)*Splus(j)) </BONDTERM> </HAMILTONIAN> <BASIS name="mixed spin"> <SITEBASIS type="0" ref="spin"> <PARAMETER name="local_spin" value="local_S"/> <PARAMETER name="local_S" value="1"/> </SITEBASIS> <SITEBASIS type="1" ref="spin"> <PARAMETER name="local_spin" value="local_S'"/> <PARAMETER name="local_S'" value="1"/> </SITEBASIS> <CONSTRAINT quantumnumber="Sz" value="Sz_total"/> </BASIS> <SITEBASIS name="spin"> <PARAMETER name="local_spin" default="local_S" /> <PARAMETER name="local_S" default="1/2" /> <QUANTUMNUMBER name="S" min="local_spin" max="local_spin" /> <QUANTUMNUMBER name="Sz" min="-S" max="S" /> <OPERATOR name="Splus" matrixelement="sqrt(S*(S+1)-Sz*(Sz+1))"> <CHANGE quantumnumber="Sz" change="1" /> </OPERATOR> <OPERATOR name="Sminus" matrixelement="sqrt(S*(S+1)-Sz*(Sz-1))"> <CHANGE quantumnumber="Sz" change="-1" /> </OPERATOR> <OPERATOR name="Sz" matrixelement="Sz" /> </SITEBASIS> </MODELS> -------------------------------------------------- Thank you, 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

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error while installation locally on debian
by Rajeev Singh 06 Jan '12

06 Jan '12

Hi, I am unable to install ALPS on my machine locally running debian squeeze. The cmake command for me is - ../cmake-2.8.7/bin/cmake -D CMAKE_INSTALL_PREFIX=/home/rajeev/bin/alps-2.0.2-r5790-src/ -D Boost_ROOT_DIR:PATH=/home/rajeev/bin/boost_1_48_0/ -D HDF5_LIBRARIES=/home/rajeev/bin/hdf5-1.8.8/lib/libhdf5.so -D HDF5_INCLUDE_DIR=/home/rajeev/bin/hdf5-1.8.8/include/ alps/ As can be seen in the command boost, cmake and hdf5 are installed locally. The make command runs successfully. 'make test' fails on three tests - The following tests FAILED: 1 - ising_single (Failed) 2 - loop_single (Failed) 3 - exchange (Failed) Errors while running CTest make: *** [test] Error 8 'make install' gives - CMake Error at lib/pyalps/cmake_install.cmake:42 (FILE): file INSTALL cannot find "/home/rajeev/bin/alps-2.0.2-r5790-src/lib/pyalps/pyhdf5_c.so". Call Stack (most recent call first): cmake_install.cmake:94 (INCLUDE) I ran the following command and couldn't find the missing file. find ../alps-2.0.2-r5790-src -iname pyhdf5_c.so Interestingly if I run 'make test' now, three more tests fail - The following tests FAILED: 1 - ising_single (Failed) 2 - loop_single (Failed) 3 - exchange (Failed) 97 - python_hlist_test (Failed) 98 - python_mcdata (Failed) 99 - python_pyhdf5 (Failed) I would greatly appreciate any help. Regards, Rajeev -- Rajeev Singh Graduate Student Theoretical Physics The Institute of Mathematical Sciences Chennai, India.

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Bug in diagonalization measurements
by Chris Laumann 28 Dec '11

28 Dec '11

Hi ALPS- I've been playing around with ALPS diagonalization procedures in the tutorials and seem to have run across a bug in the measurement behavior. If you add the following measurement to parm1a in ed-01-sparsediag (and appropriately convert the input file to xml): MEASURE_AVERAGE[Avg Sx] = Sx Then sparsediag dies with a parsing error: $ sparsediag parm1a.in.xml ALPS sparse diagonalization application version 1.1 available from http://alps.comp-phys.org/ copyright (c) 2003-2007 by Matthias Troyer <troyer(a)comp-phys.org> for details see the publication: A.F. Albuquerque et al., J. of Magn. and Magn. Materials 310, 1187 (2007). 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 2.0.2-r5790 available from http://alps.comp-phys.org/ copyright (c) 1994-2011 by the ALPS collaboration. Consult the web page for license details. For details see the publication: B. Bauer et al., J. Stat. Mech. (2011) P05001. parsing task files ... Starting task 1. Quantumnumber Sz going from -4 to 4 with increment 1 Did not parse to end of string '(Sx)/4(i)' I couldn't figure out any way to measure an average single site operator (rather than a correlation) because of this issue. Best, Chris

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errors after install
by A. Giovanni Ramirez Garcia 28 Dec '11

28 Dec '11

Dear all, I installed Alps 2.0 after a lot of work finding the libraries for my linux distribution (openSUSE 12) and now, when I try to run the tutorials as I did in the liveALPS version I get this error parsing task files ... Did not parse to end of string 'DEPLETION' even running from the command line. Is it a common error? Thanks in advance, Giovanni

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no speedup when running sparsediag with --mpi
by Matt Hurst 27 Dec '11

27 Dec '11

Hey everyone, I have build ALPS with openmpi and acml. Trying to run an exact diagonalization with 4 processors in parallel by calling mpirun -np 4 ~/alps/bin/sparsediag --mpi --write-xml param_test.in.xml succeeds in the sense that sparsediag prints: Creating a new simulation: 1 on 4 processes All processes have been assigned Starting Lanczos Finished Lanczos Checking if Simulation 1 is finished: Finished Halted Simulation 1 Checkpointing Simulation 1 Finished with all tasks. However, there seems to be no speedup at all with respect to a calculation with a single process. The runtime is almost exactly the same and when I check "top" only one process appears to be working while the other three are using 0% CPU time. (All processes were started on the same multicore machine.) What could be the reason? Should I build with different libraries or set specific environment variables? Some potentially relevant lines form CMakeCache.txt: ALPS_ENABLE_MPI:BOOL=ON ALPS_ENABLE_OPENMP:BOOL=OFF MPIEXEC_MAX_NUMPROCS:STRING=2 (Why? There are certainly more than two processors available.) MPI_CXX_COMPILER:FILEPATH=/opt/MPI/openmpi-1.5.3/linux/gcc/bin/mpicxx best regards, Matt

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Eigenvectors ED
by Shevchuk Olya 26 Dec '11

26 Dec '11

Hello, I am trying to run fulldiag for Heisenberg model. What I need is eigenstates for each Sz. I read in the parameter description that by default fulldiag or sparsearray does not store eigenvectors. Can you please help me to figure it out how to store them? thanks in advance, Olya.

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