March 2013 - Comp-phys-alps-users

error import pyalps
by Bo-Nan JIANG 21 Mar '13

21 Mar '13

Hi, all With kind help of Matthias, I finally compile all functions of ALPS2.1.1 and install it on my Ubuntu 10.02 Lucid. And in my system, it is python 2.6.5, and no VisTrails or ALPS vistrails extensions installed. But I have got an extra problem: When I am trying to run python file in tutorials via command line, it always returns ---------------------------------error---------------------------------- Traceback (most recent call last): File "tutorial8a.py", line 28, in <module> import pyalps ImportError: No module named pyalps ---------------------------------END---------------------------------- So, I run the test_py.py, all files in tutorials return the same error mentioned above.(see attachment) Besides, before runing ALPS, I have already added lines to /home/jiang/.bashrc as some users in ALPS-users suggest ---------------------lines added to .bashrc------------------- # ALPS release_dir=/home/jiang/opt/alps (I am sure this is where I install the ALPS) export LD_LIBRARY_PATH=$release_dir/lib/ export PATH=$PATH:$release_dir/bin/ export PYTHONPATH=$release_dir/lib/ ------------------------END----------------------------------------- Any advice is welcome and helpful. -- Stay foolish,Stay hungry.

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Re: [ALPS-users] tebd error
by Matthias Troyer 20 Mar '13

20 Mar '13

You use ccmake to set the variable CMAKE_Fortran_FLAGS to -fopenmp On Mar 20, 2013, at 7:54 AM, Bo-Nan JIANG <bonanjiang(a)gmail.com> wrote: > Hi,Matthias > Thanks for your reply: > "Which Fortran compiler are you using? If it is gfortran you need to add -fopenmp to the Fortran compiler flags." > > I do use gfortran. But I really have no idea how to add it. > Can you be so kind to show me how to do this in Lucid? > And in which stage shall I add this (cmake stage? make stage?) > > Bo-Nan > > -- > Stay foolish,Stay hungry.

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Error of compiling tebd when build ALPS on Ubuntu 10.04
by Bo-Nan JIANG 20 Mar '13

20 Mar '13

Hi, all I come up with this error while building ALPS on Ubuntu 10.04 Lucid Before compiling, I install all libraries and tools following the ALPS website. but when I run sudo make, the following error happens: Linking Fortran executable tebd CMakeFiles/tebd.dir/tebd.f90.o: In function `MAIN__': tebd.f90:(.text+0x962): undefined reference to `omp_get_num_procs_' tebd.f90:(.text+0xa48): undefined reference to `omp_set_num_threads_' collect2: ld returned 1 exit status make[2]: *** [applications/dmrg/tebd/tebd] Error 1 make[1]: *** [applications/dmrg/tebd/CMakeFiles/tebd.dir/all] Error 2 make: *** [all] Error 2 I do not know what's going on. What I do before "make" is : ------------------------------------INPUT COMMAND LINE-------------------------- sudo cmake -D ALPS_BUILD_FORTRAN=ON -D BLAS_LIBRARY=/usr/lib/libblas.so -D LAPACK_LIBRARY=/usr/lib/liblapack.so -D Boost_ROOT_DIR:PATH=/home/jiang/src/alps2/boost /home/jiang/src/alps2/alps sudo cmake -DCMAKE_INSTALL_PREFIX=/opt/alps /home/jiang/alps2/alps sudo make ---------------------------END--------------------------------- Any advice is welcome and helpful. Bo-Nan -- Stay foolish,Stay hungry.

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spinel structure MnFe2O4
by Vassilis Tangoulis 19 Mar '13

19 Mar '13

Dear all, I work on magnetic spinel structures of the form AB2O4 (i.e MnFe2O4) . I encounter problems defining the lattice in the lattice.xml input file due to the complexity of the system. I wonder if there is someone else working in the same project and can share the lattice description. Kind regards Vassilis Tangoulis ----------------------------------------------------------------------- Dr. Vassilis Tangoulis Aristotle University of Thessaloniki Department of Chemistry Laboratory of Inorganic Chemistry GR - 54 124 Thessaloniki, GREECE Tel: + 30 - 2310 - 99 76 76 Fax: +30 - 2310 - 99 77 38 -----------------------------------------------------------------------

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Re: [ALPS-users] linux and ALPS (Matthias Troyer)
by 黄口口 18 Mar '13

18 Mar '13

I think archlinux is a good choice. Arch is much more stable than ubuntu, at least in my opinion. And arch has the most powerful wiki than all of the other distribution. If you install yaourt, you could easily compile ALPS with the simple command: yaourt alps. At 2013-03-18 19:00:05,comp-phys-alps-users-request@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: linux and ALPS (Matthias Troyer) > > >---------------------------------------------------------------------- > >Message: 1 >Date: Sun, 17 Mar 2013 11:09:41 -0400 >From: Matthias Troyer <troyer(a)phys.ethz.ch> >To: comp-phys-alps-users(a)lists.phys.ethz.ch >Subject: Re: [ALPS-users] linux and ALPS >Message-ID: <8A9A183C-EA44-4585-A678-2013E4C38ECF(a)phys.ethz.ch> >Content-Type: text/plain; charset=iso-8859-1 > > >On Mar 17, 2013, at 4:11 AM, Bo-Nan JIANG <bonanjiang(a)gmail.com> wrote: > >> Hi,all >> >> We have a problem of choosing Linux operating system for our server. We want a system in which ALPS can work well and stably, but Ubuntu 12.04 is not very stable on our server. So, please give us a little advice that which kind of Linux system is suitable for ALPS? >> >> Bo-Nan >> >> Shanghai Institute of Fine and Optical Mechanics, C.A.S. > >ALPS should work on all recent Linux versions. > > > > >End of Comp-phys-alps-users Digest, Vol 84, Issue 16 >****************************************************

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linux and ALPS
by Bo-Nan JIANG 17 Mar '13

17 Mar '13

Hi,all We have a problem of choosing Linux operating system for our server. We want a system in which ALPS can work well and stably, but Ubuntu 12.04 is not very stable on our server. So, please give us a little advice that which kind of Linux system is suitable for ALPS? Bo-Nan Shanghai Institute of Fine and Optical Mechanics, C.A.S. -- Stay foolish,Stay hungry.

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conserved quantumnumber in spin_one_half of ALPS tutorials "dmrg-01-dmrg"
by Bo-Nan JIANG 16 Mar '13

16 Mar '13

Hi, all the parameter file of spin_one_half of ALPS tutorials mentioned is, LATTICE="open chain lattice" MODEL="spin" CONSERVED_QUANTUMNUMBERS="N,Sz" Sz_total=0 J=1 SWEEPS=4 NUMBER_EIGENVALUES=1 L=32 {MAXSTATES=100} but, in the MODEL "spin" in ALPS models.xml, no such quantum number "N" is defined. So the question is why there is a non-existing quantum number showing up in the CONSERVED_QUANTUMNUMBERS="N,Sz" ? Bo-Nan -- Stay foolish,Stay hungry.

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sparsediag in Kondo lattice
by Bo-Nan JIANG 16 Mar '13

16 Mar '13

Hi,all I am trying to sparsediag the Kondo lattice in ALPS, but the command line return "Called get_quantumnumber with illegal index". I feel that there may be a misunderstanding of the constraint in my code, but I just can not find it out now. So, dear users and developers please help me!!! The parameter file is, LATTICE="chain lattice" MODEL="Kondo lattice" LATTICE_LIBRARY="mylattices.xml" MODEL_LIBRARY="mymodels.xml" CONSERVED_QUANTUMNUMBERS="Sz" Sz_total=0 t=1 J=2 {L=4} the "Kondo lattice" code in mymodels.xml is almostly copied from the "Kondo lattice" code in ALPS models.xml, the "only" change I made (no changes of sitebasis, operators or hamiltonian) is adding a constraint of the total Sz (Sz_spin+Sz_fermion) to the BASIS as shown below: <BASIS name="Kondo lattice"> <SITEBASIS type="0" ref="fermion"/> <SITEBASIS type="1" ref="spin"/> <CONSTRAINT quantumnumber="Sz" value="Sz_total"/> </BASIS> The lattice in mylattices.xml is defined as: <LATTICES> <LATTICE name="chain lattice" dimension="1"> <PARAMETER name="a" default="1"/> <BASIS><VECTOR>a</VECTOR></BASIS> <RECIPROCALBASIS><VECTOR>2*pi/a</VECTOR></RECIPROCALBASIS> </LATTICE> <UNITCELL name="hf" dimension="1"> <VERTEX type="0"/> <VERTEX type="1"/> <EDGE type="0"><SOURCE vertex="1" offset="0"/><TARGET vertex="1" offset="1"/></EDGE> <EDGE type="1"><SOURCE vertex="1" offset="0"/><TARGET vertex="2" offset="0"/></EDGE> </UNITCELL> <LATTICEGRAPH name = "chain lattice"> <FINITELATTICE> <LATTICE ref="chain lattice"/> <PARAMETER name="L" default="4"/> <EXTENT size="L"/> <BOUNDARY type="periodic"/> </FINITELATTICE> <UNITCELL ref="hf"/> </LATTICEGRAPH> </LATTICES> where VERTEX type=0 stands for fermion and VERTEX type=1 stands for spin. Any advice is welcome! Bo-Nan -- Stay foolish,Stay hungry.

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Kondo lattice DMRG input file
by Bo-Nan JIANG 16 Mar '13

16 Mar '13

Hi,Matt This is the input parameter file with your ALPS Kondo lattice model, the DMRG parameters are chosen so that the calculation can finish in a short time, thus be easy to be debugged : --------------------------------INPUT PARAMETER FILE (FILE NAME my_parm)----------------------------------------- LATTICE_LIBRARY="my_lattices.xml" LATTICE="chain lattice" MODEL="Kondo lattice" mu=0 t=1 J=0.2 {L=32 SWEEPS=4 MAXSTATES=40 NUMBER_EIGENVALUES=2} -----------------------------END OF INPUT PARAMETER FILE--------------------------------- -----------------------------my_lattices.xml-------------------------------------------------------------- <LATTICES> <LATTICE name="chain lattice" dimension="1"> <PARAMETER name="a" default="1"/> <BASIS><VECTOR>a</VECTOR></BASIS> <RECIPROCALBASIS><VECTOR>2*pi/a</VECTOR></RECIPROCALBASIS> </LATTICE> <UNITCELL name="fermion" dimension="1"> <VERTEX type="0"/> <VERTEX type="1"/> <EDGE type="0"><SOURCE vertex="1" offset="0"/><TARGET vertex="1" offset="1"/></EDGE> <EDGE type="1"><SOURCE vertex="1" offset="0"/><TARGET vertex="2" offset="0"/></EDGE> </UNITCELL> <LATTICEGRAPH name = "chain lattice"> <FINITELATTICE> <LATTICE ref="chain lattice"/> <PARAMETER name="L" default="4"/> <EXTENT size="L"/> <BOUNDARY type="open"/> </FINITELATTICE> <UNITCELL ref="fermion"/> </LATTICEGRAPH> </LATTICES> -------------------------END OF my_lattices.xml---------------------------------------- -------------------------COMMAND LINE INPUT----------------------------------------- parameter2xml my_parm dmrg --write-xml my_parm.in.xml ------------------------END OF COMMAND LINE INPUT------------------------------- ERROR: site basis for type 2 not found. Hope you guys can find out what is going on. By the way, if I use wild card and my custom fermion code to reprogram Model="Kondo lattice" in the fashion of your ALPS Model="spin", the DMRG and ED both works. But the problem is with mu=0 t=1 and J=1, by DMRG, my custom Kondo Lattice model shows the gap = 0.21, with 10^-10 truncation error, while K.Ueda in Phys.Rev.B. 46, 3175 FIG.1 shows a energy gap smaller than 0.2 under the same parameter condition by ED. (BOTH HALF FILLING) I recheck my custom Kondo lattice model and find no obvious mistakes. And I do not know why, can you help me here, too? --------------------------INPUT FILE OF CUSTOM KONDO LATTICE MODEL------------------------------ LATTICE_LIBRARY="my_lattices.xml" LATTICE="chain lattice" MODEL_LIBRARY="my_models.xml" MODEL="Kondo lattice" CONSERVED_QUANTUMNUMBERS="N" N_total=128 MEASURE_LOCAL[local density]=n local_max0=2 local_min0=0 local_max1=1 local_min1=1 mu=0 t=1 J=1 {L=64 SWEEPS=10 MAXSTATES=500 NUMBER_EIGENVALUES=2} ------------------------CUSTOM KONDO LATTICE MODEL-------------------------- <MODELS> <SITEBASIS name="fermion"> <PARAMETER name="local_maximum" default="local_max"/> <PARAMETER name="local_max" default="2"/> <PARAMETER name="local_minimun" default="local_min"/> <PARAMETER name="local_min" default="0"/> <QUANTUMNUMBER name="N" min="local_minimum" max="local_maximum" type="fermionic"/> <QUANTUMNUMBER name="Sz" min="-N*(2-N)/2" max="N*(2-N)/2"/> <QUANTUMNUMBER name="Nup" min="(N+2*Sz)/2" max="(N+2*Sz)/2"/> <QUANTUMNUMBER name="Ndown" min="(N-2*Sz)/2" max="(N-2*Sz)/2"/> <OPERATOR name="Splus" matrixelement="1"> <CHANGE quantumnumber="Nup" change="1"/> <CHANGE quantumnumber="Ndown" change="-1"/> <CHANGE quantumnumber="Sz" change="1"/> </OPERATOR> <OPERATOR name="Sminus" matrixelement="1"> <CHANGE quantumnumber="Nup" change="-1"/> <CHANGE quantumnumber="Ndown" change="+1"/> <CHANGE quantumnumber="Sz" change="-1"/> </OPERATOR> <OPERATOR name="Sz" matrixelement="Sz"/> <OPERATOR name="c_down" matrixelement="1"> <CHANGE quantumnumber="Ndown" change="-1"/> <CHANGE quantumnumber="N" change="-1"/> <CHANGE quantumnumber="Sz" change="1/2"/> </OPERATOR> <OPERATOR name="cdag_down" matrixelement="1"> <CHANGE quantumnumber="Ndown" change="1"/> <CHANGE quantumnumber="N" change="1"/> <CHANGE quantumnumber="Sz" change="-1/2"/> </OPERATOR> <OPERATOR name="c_up" matrixelement="1"> <CHANGE quantumnumber="Nup" change="-1"/> <CHANGE quantumnumber="N" change="-1"/> <CHANGE quantumnumber="Sz" change="-1/2"/> </OPERATOR> <OPERATOR name="cdag_up" matrixelement="1"> <CHANGE quantumnumber="Nup" change="1"/> <CHANGE quantumnumber="N" change="1"/> <CHANGE quantumnumber="Sz" change="+1/2"/> </OPERATOR> <OPERATOR name="n" matrixelement="N"/> <OPERATOR name="n_up" matrixelement="(N+2*Sz)/2"/> <OPERATOR name="n_down" matrixelement="(N-2*Sz)/2"/> </SITEBASIS> <BASIS name="Kondo lattice"> <SITEBASIS ref="fermion"> <PARAMETER name="local_maximum" value="local_max#"/> <PARAMETER name="local_max#" value="local_max"/> <PARAMETER name="local_max" value="2"/> <PARAMETER name="local_minimum" value="local_min#"/> <PARAMETER name="local_min#" value="local_min"/> <PARAMETER name="local_min" value="0"/> </SITEBASIS> <CONSTRAINT quantumnumber="N" value="N_total"/>  </BASIS> <BONDOPERATOR name="exchange" source="x" target="y"> Sz(x)*Sz(y)+1/2*(Splus(x)*Sminus(y)+Sminus(x)*Splus(y)) </BONDOPERATOR> <BONDOPERATOR name="fermion_hop" source="x" target="y"> cdag_up(x)*c_up(y)+cdag_up(y)*c_up(x)+cdag_down(x)*c_down(y)+cdag_down(y)*c_down(x) </BONDOPERATOR> <HAMILTONIAN name="Kondo lattice"> <PARAMETER name="mu" default="0"/> <PARAMETER name="t" default="1"/> <PARAMETER name="J" default="1"/> <BASIS ref="Kondo lattice"/> <SITETERM type="0" site="i"> -mu*n(i) </SITETERM> <SITETERM type="1"> 0 </SITETERM> <BONDTERM type="0" source="i" target="j"> -t*fermion_hop(i,j) </BONDTERM> <BONDTERM type="1" source="i" target="j"> J*exchange(i,j) </BONDTERM> </HAMILTONIAN> </MODELS> --------------------------CHAIN LATTICE IN my_lattices.xml -------------------------------------- <LATTICES> <LATTICE name="chain lattice" dimension="1"> <PARAMETER name="a" default="1"/> <BASIS><VECTOR>a</VECTOR></BASIS> <RECIPROCALBASIS><VECTOR>2*pi/a</VECTOR></RECIPROCALBASIS> </LATTICE> <UNITCELL name="fermion" dimension="1"> <VERTEX type="0"/> <VERTEX type="1"/> <EDGE type="0"><SOURCE vertex="1" offset="0"/><TARGET vertex="1" offset="1"/></EDGE> <EDGE type="1"><SOURCE vertex="1" offset="0"/><TARGET vertex="2" offset="0"/></EDGE> </UNITCELL> <LATTICEGRAPH name = "chain lattice"> <FINITELATTICE> <LATTICE ref="chain lattice"/> <PARAMETER name="L" default="4"/> <EXTENT size="L"/> <BOUNDARY type="open"/> </FINITELATTICE> <UNITCELL ref="fermion"/> </LATTICEGRAPH> </LATTICES> ---------------------------------------END------------------------------------------------------- Best, Bo-Nan -- Stay foolish,Stay hungry.

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truncation error in DMRG
by Bo-Nan JIANG 16 Mar '13

16 Mar '13

Hi,all In DMRG, what does the sign of truncation error mean? In today's ALPS DMRG, I have got a negative truncation error, wow! So, I think what does a negative truncation error mean? the same as the positive one? Bo-Nan -- Stay foolish,Stay hungry.

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