December 2006 - Comp-phys-alps-users

ALPS 1.3b3 beta release
by Matthias Troyer 19 Dec '06

19 Dec '06

Dear all, we posted a new beta release of ALPS 1.3. The new beta version contains - support for Cygwin under Windows - thanks to Andreas Läuchli - implementation of measurements in the DMRG code - thanks to Adrian Feiguin Please send any problems encountered while installing or running ALPS to the user's mailing list and report any bug using the Bugzilla system on the web page. ALPS 1.3 is now essentially feature-complete and we will update the documentation and wait for bug reports before finalizing the release. Matthias

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Plot file problems
by Austen Lamacraft 06 Dec '06

06 Dec '06

An elementary question from a beginner user... I can't get the simplest plot file examples given in the ToolsHOWTO or Tutorial:ClassicalMCSimulations to work. While extracttext, extractxmgr and direct evaluation using xsltproc all work without complaining , no points are extracted e.g. from the task files produced by the one-dimensional Heisenberg simulation in Tutorial:ClassicalMCSimulations. Thus although the plots produced by extractxmgr plot.xml parm2a.task*.out.xml > result.xmgr are correctly labeled, there are no points. Any ideas? Thanks, Austen

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Hamiltonian Matrix Elements
by Jeff Hammond 04 Dec '06

04 Dec '06

Dear ALPS friends, I'm trying to generate Hamiltonian matrix elements for lattice models using the kitchen sink of symmetries in ALPS. Unfortunately, I can't figure out where I can get them by reading the source code. Specifically, I'm looking for the quantity M(i,j,k,l) which defines the Hamiltonian H = sum(i,j,k,l) M(i,j,k,l) c(i)+ c(j)+ c(l) c(k). I doubt it is ever stored complete in memory, but I just want to read it out element-by-element in sparse format into an external file. If no part of this quantity ever exists but can be obtained by some modifying the code, that works, too. If someone can point me to the right place and make a suggestion for what to do, that would be fantastic. If this is not a simple request at all, but someone still wants to help me, I can give a much more detailed explanation of what I'm trying to do. Jeff Hammond The University of Chicago

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Differences between ALPS 1.2.2 and 1.3.2 (TOTAL_MOMENTUM, ...)
by Cristian Degli Esposti Boschi 03 Dec '06

03 Dec '06

I recently installed ALPS (lib+apps), release version 1.2.2 and played a while also with a Live CD shipped with 1.3.2. Am I right that the tutorial on the web site are referred to the pre-release 1.3 ? In particular, using the same input files, with sparsediag of 1.2.2 I cannot produce any output as far as correlations are concerned while with 1.3.2 I can. What I find misleading is that with 1.2.2 I had no complain message about the parameters MEASURE_CORRELATIONS, that seem to be simply ignored. Well, apart from that, I find the implementation of TOTAL_MOMENTUM very useful (again it seems to be active only with 1.3.2). I wonder if the eigenvalue can be selected from input...how? More generally, which is the syntax to select two or more compatible quantum numbers? CONSERVED_QUANTUMNUMBERS="???"; I'm sorry but I couldn't find this last point on the wiki pages. Cheers, Cristian -- ___________________________________________________ Cristian Degli Esposti Boschi CNR-INFM, Unita' di Ricerca CNISM di Bologna, c/o Dipartimento di Fisica, Universita' di Bologna viale Berti-Pichat, 6/2, 40127, Bologna, Italia tel. ++39 051 2095114 fax ++39 051 2095153 e-mail: cristian.degliesposti -AT- unibo.it web: http://www.bo.infm.it/grp/morandi/home.html ___________________________________________________

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Re: [ALPS-users] [Fwd: Re: 2D Hubbard]
by Matthias Troyer 03 Dec '06

03 Dec '06

Hi Jeff, Let me try to help > Matthias, > > This is a summary of my problems on Jacquard > (http://www.nersc.gov/nusers/resources/jacquard/) at NERSC. > > Attempt One > > 2) hdf5/1.6.4 HDF5 support is not really implemented yet in the current version, hence it might help to configure with --without-hdf5 > > configure: error: unknown mode pathscale > > The first "out of the box" fix would be support for Pathscale > compilers We can easily add that if you can tell me which compiler options should be default for pathscale? The same as for gnu? > > Running configure assuming Pathscale is GNU equivalent > jacin01:~/alps-1.3b2> ./configure --prefix=~/ALPS --with-compiler=gnu > > It now picks up MPI but no HDF5. I would have though the presence of > ACML and SCALAPACK would give me LAPACK somehow but perhaps not. It just does not find it automatically yet. YOur next step is just what is needed, with some extra thibgs > > I added --with-atlas-dir=/usr/common/acts/ATLAS/lib/Linux_Opteron > where > libatlas.a etc. is. ALPS configure cannot find dgemm because it is > called something else: > > ar -t /usr/common/acts/ATLAS/lib/Linux_Opteron/libatlas.a | > grep dgemm > ATL_dgemm.o > ATL_dgemmNN.o > ATL_dgemmNT.o > ATL_dgemmTN.o > ATL_dgemmTT.o > ATL_dgemmRB.o Yes, I know this problem. Usually the ATLAS has a blas library that goes with it which forwards the calls. You need to specify in addition to the atlas dir also the libraries to link against, which will be more than just -latlas. The best way is to try to compil and link a program calling dgemm_. Once you find the needed libraries we can add them to the configure script so that they are tried automatically. Please let me know what is needed. > > I attached the config.log from the setup I used to compile with, > having > given up on LAPACK. The last 50 lines of my make.log are > attached. It > bombed on MPI and the error requires me to recompile: relocation > R_X86_64_32S can not be used when making a shared object; recompile > with > -fPIC > ///usr/common/nsg/mvapich/pathscale/mvapich-0.9.5-mlx1.0.3/lib/ > libpmpich++.a: > could not read symbols: Bad value > > It will really suck if I have to recompile MPI on my own. The easier option might just to forget about shared libraries and link statically. To do this add the --disable-shared option to the configure call. > > Now I can start all over with GNU compilers instead of Pathscale but > there are very good reasons to stick with Pathscale on this machine. > Please let me know what problems I can correct or what other > approaches > I should try. It is also helpful to tell me if NERSC should > reconfigure > any of their libraries. > > If it appears the problem is that I am a moron, you're probably right; > don't hesitate to say so. No, not at all. You just have a non-standard setup and we need to figure out what works on your machine. We can then add out-of-the-box support to the next release. Matthias

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