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

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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estimated time ??????
by Rakesh Kumar 11 Nov '06

11 Nov '06

Dear all, If I want sparse diagonalize Heisenberg Hamiltonian of 4x4 site cluster on square lattice. How much time will be take ? I running this program 3748 minutes but till now it is not ended. It seems very time consumable. With Best regards Rakesh Kumar School of Physical Sciences, JNU, New Delhi-110067 (INDIA) Mob.No.: +91-9891397108 --------------------------------- Get your own web address for just $1.99/1st yr. We'll help. Yahoo! Small Business.

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2D Hubbard
by Jeff Hammond 10 Nov '06

10 Nov '06

Dear ALPS users, I'm trying to get some benchmark numbers for the 2D Hubbard model. I'm figuring out the input from the tutorial and by reading the XML files and source code, but I wonder if there a more complete manual somewhere so I can optimize the input for conserved quantum numbers, etc.? I read the arXiv article and two Powerpoint presentations but haven't found what I'm looking for. For example, can I use SU(2) - | S^2 S_z > - configurations, or better yet, SO(4) - | S^2 S_z J^2 J_z > - configurations? It was mentioned somewhere that 1.3 would have spatial symmetry built in the diagonalization code but I could not run the 4x4 Hubbard on a workstation, which should have been possible if the translation and C4v groups were utilized. What is the status of that development? Given the current functionality, what should I need for the half-filled 4x4 Hubbard using Lanczos? I should have almost unlimited resources at NERSC but installation there is not going well and I'd rather use a 4 Xeon-core, 4 GB workstation if possible. Thanks for all your answers. Jeff UChicago

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INHOMOGENEOUS and DISORDER tags?
by Pearl Louis 25 Oct '06

25 Oct '06

Hi, In one of the presentations that are available on the ALPS webpage, the <INHOMOGENEOUS> tag is mentioned. As I was going through the doc folder on the ALPS installion I see the mention of a <DISORDER> tag as well. However, besides these instances I cannot seem to find any information on how to actually use these tags when defining different lattices e.g. syntax and then how to implement site dependent hamiltonians. I was wondering if there are any examples about how to use these tags? Thanks very much. Pearl -- Dr Pearl Louis Department of Physics, Osaka City University Sugimoto 3-3-138, Sumiyoshi-ku Osaka 558-8585, JAPAN Tel: +81-6-6605-2501 Fax: +81-6-6605-2522 e-mail: louis(a)sci.osaka-cu.ac.jp

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Is 'dirloop_sse' now 'sse'?
by Pearl Louis 16 Oct '06

16 Oct '06

Hi, It's me again with another problem :) Thanks for helping me with the last one. I am running through the tutorials on the homepage. However, I am having a bit of difficulty with the SSE tutorial for the simple reason that dirloop_sse was not installed. Worm and loop are working fine though. My first thought was lp_solve. So I reran the install for the ALPS applications specifying the lp_solve directory explicitly in ./configure and in the make install it looks like it is installing the sse applications. However there is still no dirloop_sse. Looking through the source directory for alps_applications in the sse source directory there is no program for dirloop_sse but there *is* a program called "sse" and that seems to be installed when you do "make install". Has the name of the sse application been changed? In the tutorial should I replace the "dirloop_sse" with "sse" instead? Thanks very much Pearl -- Dr Pearl Louis Department of Physics, Osaka City University Sugimoto 3-3-138, Sumiyoshi-ku Osaka 558-8585, JAPAN Tel: +81-6-6605-2501 Fax: +81-6-6605-2522 e-mail: louis(a)sci.osaka-cu.ac.jp

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Your assistance is required !!!!!!!!!!
by Rakesh Kumar 11 Oct '06

11 Oct '06

Dear friends, Can any body guide me how to make the program in FORTRAN77/90 or in C on square lattice for the following quantum spin (anti-ferromagnetic) model: H = J*nnsum(i,j)*S_{i}*S_{j} + J'*sum(i)*sum(delx)*sum(dely)*[(S_{i}*S_{i+delx})*(S_{i+delx+dely}*S_{i+2*delx+dely})] First term is simply Heisenberg term and second is another type coupling term. Thanking you, With Best regards Rakesh Kumar School of Physical Sciences, JNU, New Delhi-110067 (INDIA) Mob.No.: +91-9891397108 --------------------------------- Yahoo! Messenger with Voice. Make PC-to-Phone Calls to the US (and 30+ countries) for 2¢/min or less.

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Alps 1.2.2: make tests fails on fixed_capacity/test_vector
by Pearl Louis 11 Oct '06

11 Oct '06

Hi all I am a new user to ALPS. Unfortunately I am running into some difficulties with "make tests" for the libraries. Basically one of the tests is failing: [fixed_capacity] ./fixed_capacity_vector | diff fixed_capacity_vector.output - PASS: fixed_capacity/fixed_capacity_vector [fixed_capacity] ./test_deque | diff test_deque.output - PASS: fixed_capacity/test_deque [fixed_capacity] ./test_vector | diff test_vector.output - 1d0 < Test done successfully. FAIL: fixed_capacity/test_vector The other 39 seem to pass well enough though :) I am using: Alps 1.2.2 gcc 3.3.5 on Linux lp_solve 4.0 boost 1_32 (I run into compile problems with 1_33_1) Opteron I am just testing ALPS right now so I have compiled it without support for MPI and hdf5. Is it OK to ignore this failed test? If not is there anything I can do e.g. compile options to get the test to past? Thanks very much for your help and for ALPS! Pearl Louis

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Problem ????????
by Rakesh Kumar 10 Oct '06

10 Oct '06

Dear all, I am using ALPS software for exact diagonalization( Lanczos). There is much examples for writing models like Heisenberg, t-J, Hubbard etc. I have a difficulty to write a complicated Hamiltonian. For example, if I want to write "model.xml" for Hamiltonian : H = J*nnsum(i,j)*S_{i}*S_{j} + J'*sum(i)*sum(delx)*sum(dely)*[(S_{i}*S_{i+delx})*(S_{i+delx+dely}*S_{i+2*delx+dely})] First term is simply Heisenberg term and second is another type coupling term. How can the second term be written in xml format. Thanking you, With Best regards Rakesh Kumar School of Physical Sciences, JNU, New Delhi-110067 (INDIA) Mob.No.: +91-9891397108 --------------------------------- Do you Yahoo!? Get on board. You're invited to try the new Yahoo! Mail.

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Query ?????????
by Rakesh Kumar 10 Oct '06

10 Oct '06

Dear all, I am using ALPS software for exact diagonalization. There is much examples for writing models like Heisenberg, t-J, Hubbard etc. I have a difficulty to write a complicated Hamiltonian. For example, if I want to write "model.xml" for Hamiltonian : H = J*nnsum(i,j)*S_{i}*S_{j} + J'*sum(i)*sum(delx)*sum(dely)*[(S_{i}*S_{i+delx})*(S_{i+delx+dely}*S_{i+2*delx+dely})] First term is simply Heisenberg term and second is another type coupling term. How can the second term be written in xml format. Thanking you, With Best regards Rakesh Kumar School of Physical Sciences, JNU, New Delhi-110067 (INDIA) Mob.No.: +91-9891397108 --------------------------------- Do you Yahoo!? Get on board. You're invited to try the new Yahoo! Mail.

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spinmc issues
by Andrea Taroni 06 Jun '06

06 Jun '06

Dear all, I am in the very early stages of experimenting around with ALPS, with the specific goal of using the software as a benchmark on some classical calculations. I hope you don't mind, but I have a number of basic questions I would like to ask, I'm finding the documentation rather hard to follow at the moment! 1. If I were to add a term to, say, the basic Heisenberg Hamiltonian what files should I be looking to do this in? 2. In order to recompile the code once this is done, is it just a case of running gcc on the .C files in the subdirectory of interest (in this case (~/alps-applications-1.2.2/mc/spins) or do I need to recompile the whole of ALPS? If so how is this done? 3. Is there a protocol in place in order to inform the main developers that my new (fictitious) Heisenberg code should be in the next version of ALPS? Thank you for your time, -- --------------------------------------------------------------- Andrea Taroni | Phone : (44) 7679 4636 Department of Chemistry | Fax : (44) 7679 7463 University College London | e-mail: a.taroni(a)ucl.ac.uk 20 Gordon Street WC1H 0AJ, UK ---------------------------------------------------------------

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