January 2017 - Comp-phys-alps-users

fermion vs alternative fermion
by Robertson Esperanza 31 Jan '17

31 Jan '17

Hello, Thank you for all the previous help. Checking models.xml file i can see two SITEBASIS named "fermion" and "alternative fermion". What are their differences?

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XML tag expected
by Larry Engelhardt 22 Jan '17

22 Jan '17

Dear ALPS list, I was very excited to see that the new version of ALPS was available for installation via conda! I did the conda installation, and I attempted to run the simple simulation pasted at the bottom of this email (taken from the ALPS webpage). The code started to execute, and the input files were created (parm1.in.xml, parm1.task1.in.xml, parm1.task2.in.xml, parm1.task3.in.xml). Then the message "parsing task files ..." was immediately followed by the message "XML tag expected". Each of the four XML input files start with the following two lines: <?xml version="1.0" encoding="UTF-8"?> <?xml-stylesheet type="text/xsl" href="ALPS.xsl"?> I'm sure that there must be a very simple cause for this problem. Can anyone diagnose this for me? Thanks! Larry CODE: import pyalps parms = [] for t in [1.5,2,2.5]: parms.append( { 'LATTICE' : "square lattice", 'T' : t, 'J' : 1 , 'THERMALIZATION' : 1000, 'SWEEPS' : 100000, 'UPDATE' : "cluster", 'MODEL' : "Ising", 'L' : 8 } ) input_file = pyalps.writeInputFiles('parm1',parms) pyalps.runApplication('spinmc',input_file,Tmin=5),writexml=True)

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Conserve quantum number for composite unit cell
by Axel Gagge 18 Jan '17

18 Jan '17

?Hello, I just wanted to ask if it is possible to preserve a combination of quantum numbers such as the total number of excitations: N = \sum_{bosonic sites} n_j + 1/2 \sum_{spinful sites} s_z and what the syntax for this would be? I guess that one option would be to define a new quantum number and let Splus raise it by 1/2 but I just thought that I would check this with you first! Otherwise, thank you for an excellent library! I have had no problems so far with the new release. Thanks, /Axel Gagge First year PhD Student, Stockholm University

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mps_optim: measurement - bug?
by Mateusz Łącki 18 Jan '17

18 Jan '17

Dear All. I would like to report a likely bug. I play with a simple transverse ising model for S=1/2. I take a short chain of length say 8, compute magnetization in x and z direction. When I compute the same input with mps_optim and sparsediag i obtain different results. Both codes give me different magnetizatios in mps_optim measurement seems to be wrong by a factor. I changed the definition of a default model “spin” (see below), the coupling is along x axis and field is along z. I consider the following input: LATTICE="inhomogeneous chain lattice" MODEL_LIBRARY="models.xml" MODEL="spin" J=1 SWEEPS=8 chkp_each=8 MEASURE_LOCAL[Local magnetization Xa]=Splus MEASURE_LOCAL[Local magnetization Xb]=Sminus MEASURE_LOCAL[Local magnetization X1]=Sx MEASURE_LOCAL[Local magnetization X2]=Sxx MEASURE_LOCAL[Local magnetization Z]=Sz MAXSTATES=40; NUMBER_EIGENVALUES=1; {h=0;Gamma=0;L=8} ******************* In the above the Sxx operator is defined exactly the same as Sx: <SITEOPERATOR name="Sx" site="x"> 1/2*(Splus(x)+Sminus(x)) </SITEOPERATOR> but with 1/4 factor, not 1/2: <SITEOPERATOR name="Sxx" site="x"> 1/4*(Splus(x)+Sminus(x)) </SITEOPERATOR> There are 2 runs that are important for my message: RUN A): running the above input with sparsediag gives (at any site): Local magnetization Xa=0.5 Local magnetization Xb=0.5 Local magnetization X1=0.5 Local magnetization X2=0.25 Which makes sense, as Sx=0.5*(Jplus + Jminus) RUN B): running the above input with mps_optim gives (at any site): Local magnetization Xa=0.5 Local magnetization Xb=0.5 Local magnetization X1=1.0 Local magnetization X2=1.0 My conclusion: It seems that measurement ignores the factor 1/4 in the definition of Sxx and 1/2 in the definition of Sx. If it is indeed the case (not stupid mistake on my side), would it be possible to issue a patch? If I change <BONDTERM source="i" target="j"> <PARAMETER name="J#" default="J"/> -J#*Sx(i)*Sx(j)*4 </BONDTERM> into <BONDTERM source="i" target="j"> <PARAMETER name="J#" default="J"/> -J#*Sxx(i)*Sxx(j)*4 </BONDTERM> then I get a correct factor 4 reduction in energy. So it seems only the mesurement ignores the numerical factor. If I exchange x-z direction in the Hamiltonian everything seems fine. Best, Mateusz Łącki

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The questions of ALPS application
by youchamianshidai＠sina.com 18 Jan '17

18 Jan '17

Dear professors: I am a beginner of ALPS. In my research, I have a very difficult problem, we need to calculate the density of each point on the lattice, but I don't know how to calculate. I would appreciate your help if you could tell me how to calculate it. Thank you again for viewing my mail.Best wishs to you. Thank you

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New ALPS release 2.3.0
by Michele Dolfi 16 Jan '17

16 Jan '17

Dear all, Version 2.3.0 of ALPS has been released. The main changes compared to the previous release are: - Support for Boost > 1.58 - Support for Mac OS 10.10 and 10.11 - Support for Python 3 (only with Boost >= 1.63.0) - Distribution of binaries via Conda-Forge (Linux, Mac, Win) - Distribution via Docker image - Fixes and features in MPS codes - Fixes and features in Graph library - Fixes and features in DWA - Other minor fixes The source distribution is available on the ALPS website https://alps.comp-phys.org/mediawiki/index.php/Download_and_install_ALPS_2 <https://alps.comp-phys.org/mediawiki/index.php/Download_and_install_ALPS_2> + For new users relying on the binary installation we recommend the cross-platform Conda distribution. + For computational clusters we now provide EasyBuild recipes on the official EasyBuild repository. We encourage the use of these recipes. Some distributions already contain the new version, others will be updated in the next days. We tried to test on as many systems as we could, but some bugs might still be present. Do not hesitate to write in case you have problems installing or running the release. We will schedule some minor release to address your issues. Best regards, Michele -- ETH Zurich Dr. Michele Dolfi Institute for Theoretical Physics HIT G 32.4 Wolfgang-Pauli-Str. 27 8093 Zurich Switzerland dolfim(a)phys.ethz.ch www.itp.phys.ethz.ch +41 44 633 78 56 phone +41 44 633 11 15 fax

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density measurement in qmc with sse agrithm
by 郭怀明 16 Jan '17

16 Jan '17

Dear all, I am using SSE quantum Monte Carlo to study Bose-Hubbard model on honeycomb lattice. Honeycomb lattice has a two-site unit cell. Alps output the average density. I wonder whether the average on each sublattice can be measured and how to do that? Sincerely, Huaiming

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mps_optim correlation measurement time
by Mateusz Łącki 15 Jan '17

15 Jan '17

Dear All, I am trying to compute properties of a quantum ising model in the transverse field. I want to measure local magnetization (both transverse and along the field), and nearest neighbor correlations Sx(i) Sx(i+1) and Sz(i) Sz(i+1) for each two nearest neighbours. Later I plan on adding additional terms, but below I present the minimum model representing the problems. For longer lattices however over 90% cpu time (tens of minutes, hours) is spent in measurement of the correlation functions. Am I doing something wrong? Best, Mateusz Łącki My input file is as follows: LATTICE="open chain lattice" MODEL=“spin" J=1 SWEEPS=10 chkp_each=10 deleteafteruse=0 MEASURE_LOCAL[Local magnetization X]=Sx MEASURE_LOCAL[Local magnetization Z]=Sz MEASURE_LOCAL_AT[SzSz] = "Sz:Sz|(0, 1),(1, 2),(2, 3),(3, 4),(4, 5),(5, 6),(6, 7),(7, 8),(8, 9),(9, 10),(10, 11),(11, 12),(12, 13),(13, 14),(14, 15),(15, 16),(16, 17),(17, 18),(18, 19),(19, 20),(20, 21),(21, 22),(22, 23),(23, 24),(24, 25),(25, 26),(26, 27),(27, 28),(28, 29),(29, 30),(30, 31),(31, 32),(32, 33),(33, 34),(34, 35),(35, 36),(36, 37),(37, 38),(38, 39),(39, 40),(40, 41),(41, 42),(42, 43),(43, 44),(44, 45),(45, 46),(46, 47),(47, 48),(48, 49),(49, 50),(50, 51),(51, 52),(52, 53),(53, 54),(54, 55),(55, 56),(56, 57),(57, 58),(58, 59),(59, 60),(60, 61),(61, 62),(62, 63),(63, 64),(64, 65),(65, 66),(66, 67),(67, 68),(68, 69),(69, 70),(70, 71),(71, 72),(72, 73),(73, 74),(74, 75),(75, 76),(76, 77),(77, 78),(78, 79),(79, 80),(80, 81),(81, 82),(82, 83),(83, 84),(84, 85),(85, 86),(86, 87),(87, 88),(88, 89),(89, 90),(90, 91),(91, 92),(92, 93),(93, 94),(94, 95),(95, 96),(96, 97),(97, 98),(98, 99),(99, 100),(100, 101),(101, 102),(102, 103),(103, 104),(104, 105),(105, 106),(106, 107),(107, 108),(108, 109),(109, 110),(110, 111),(111, 112),(112, 113),(113, 114),(114, 115),(115, 116),(116, 117),(117, 118),(118, 119),(119, 120),(120, 121),(121, 122),(122, 123),(123, 124),(124, 125),(125, 126),(126, 127) “ MEASURE_LOCAL_AT[SpSp] = "Splus:Splus|(0, 1),(1, 2),(2, 3),(3, 4),(4, 5),(5, 6),(6, 7),(7, 8),(8, 9),(9, 10),(10, 11),(11, 12),(12, 13),(13, 14),(14, 15),(15, 16),(16, 17),(17, 18),(18, 19),(19, 20),(20, 21),(21, 22),(22, 23),(23, 24),(24, 25),(25, 26),(26, 27),(27, 28),(28, 29),(29, 30),(30, 31),(31, 32),(32, 33),(33, 34),(34, 35),(35, 36),(36, 37),(37, 38),(38, 39),(39, 40),(40, 41),(41, 42),(42, 43),(43, 44),(44, 45),(45, 46),(46, 47),(47, 48),(48, 49),(49, 50),(50, 51),(51, 52),(52, 53),(53, 54),(54, 55),(55, 56),(56, 57),(57, 58),(58, 59),(59, 60),(60, 61),(61, 62),(62, 63),(63, 64),(64, 65),(65, 66),(66, 67),(67, 68),(68, 69),(69, 70),(70, 71),(71, 72),(72, 73),(73, 74),(74, 75),(75, 76),(76, 77),(77, 78),(78, 79),(79, 80),(80, 81),(81, 82),(82, 83),(83, 84),(84, 85),(85, 86),(86, 87),(87, 88),(88, 89),(89, 90),(90, 91),(91, 92),(92, 93),(93, 94),(94, 95),(95, 96),(96, 97),(97, 98),(98, 99),(99, 100),(100, 101),(101, 102),(102, 103),(103, 104),(104, 105),(105, 106),(106, 107),(107, 108),(108, 109),(109, 110),(110, 111),(111, 112),(112, 113),(113, 114),(114, 115),(115, 116),(116, 117),(117, 118),(118, 119),(119, 120),(120, 121),(121, 122),(122, 123),(123, 124),(124, 125),(125, 126),(126, 127) “ MEASURE_LOCAL_AT[SmSp] = "Sminus:Splus|(0, 1),(1, 2),(2, 3),(3, 4),(4, 5),(5, 6),(6, 7),(7, 8),(8, 9),(9, 10),(10, 11),(11, 12),(12, 13),(13, 14),(14, 15),(15, 16),(16, 17),(17, 18),(18, 19),(19, 20),(20, 21),(21, 22),(22, 23),(23, 24),(24, 25),(25, 26),(26, 27),(27, 28),(28, 29),(29, 30),(30, 31),(31, 32),(32, 33),(33, 34),(34, 35),(35, 36),(36, 37),(37, 38),(38, 39),(39, 40),(40, 41),(41, 42),(42, 43),(43, 44),(44, 45),(45, 46),(46, 47),(47, 48),(48, 49),(49, 50),(50, 51),(51, 52),(52, 53),(53, 54),(54, 55),(55, 56),(56, 57),(57, 58),(58, 59),(59, 60),(60, 61),(61, 62),(62, 63),(63, 64),(64, 65),(65, 66),(66, 67),(67, 68),(68, 69),(69, 70),(70, 71),(71, 72),(72, 73),(73, 74),(74, 75),(75, 76),(76, 77),(77, 78),(78, 79),(79, 80),(80, 81),(81, 82),(82, 83),(83, 84),(84, 85),(85, 86),(86, 87),(87, 88),(88, 89),(89, 90),(90, 91),(91, 92),(92, 93),(93, 94),(94, 95),(95, 96),(96, 97),(97, 98),(98, 99),(99, 100),(100, 101),(101, 102),(102, 103),(103, 104),(104, 105),(105, 106),(106, 107),(107, 108),(108, 109),(109, 110),(110, 111),(111, 112),(112, 113),(113, 114),(114, 115),(115, 116),(116, 117),(117, 118),(118, 119),(119, 120),(120, 121),(121, 122),(122, 123),(123, 124),(124, 125),(125, 126),(126, 127) “ MEASURE_LOCAL_AT[SpSm] = "Splus:Sminus|(0, 1),(1, 2),(2, 3),(3, 4),(4, 5),(5, 6),(6, 7),(7, 8),(8, 9),(9, 10),(10, 11),(11, 12),(12, 13),(13, 14),(14, 15),(15, 16),(16, 17),(17, 18),(18, 19),(19, 20),(20, 21),(21, 22),(22, 23),(23, 24),(24, 25),(25, 26),(26, 27),(27, 28),(28, 29),(29, 30),(30, 31),(31, 32),(32, 33),(33, 34),(34, 35),(35, 36),(36, 37),(37, 38),(38, 39),(39, 40),(40, 41),(41, 42),(42, 43),(43, 44),(44, 45),(45, 46),(46, 47),(47, 48),(48, 49),(49, 50),(50, 51),(51, 52),(52, 53),(53, 54),(54, 55),(55, 56),(56, 57),(57, 58),(58, 59),(59, 60),(60, 61),(61, 62),(62, 63),(63, 64),(64, 65),(65, 66),(66, 67),(67, 68),(68, 69),(69, 70),(70, 71),(71, 72),(72, 73),(73, 74),(74, 75),(75, 76),(76, 77),(77, 78),(78, 79),(79, 80),(80, 81),(81, 82),(82, 83),(83, 84),(84, 85),(85, 86),(86, 87),(87, 88),(88, 89),(89, 90),(90, 91),(91, 92),(92, 93),(93, 94),(94, 95),(95, 96),(96, 97),(97, 98),(98, 99),(99, 100),(100, 101),(101, 102),(102, 103),(103, 104),(104, 105),(105, 106),(106, 107),(107, 108),(108, 109),(109, 110),(110, 111),(111, 112),(112, 113),(113, 114),(114, 115),(115, 116),(116, 117),(117, 118),(118, 119),(119, 120),(120, 121),(121, 122),(122, 123),(123, 124),(124, 125),(125, 126),(126, 127) “ MEASURE_LOCAL_AT[SmSm] = "Sminus:Sminus|(0, 1),(1, 2),(2, 3),(3, 4),(4, 5),(5, 6),(6, 7),(7, 8),(8, 9),(9, 10),(10, 11),(11, 12),(12, 13),(13, 14),(14, 15),(15, 16),(16, 17),(17, 18),(18, 19),(19, 20),(20, 21),(21, 22),(22, 23),(23, 24),(24, 25),(25, 26),(26, 27),(27, 28),(28, 29),(29, 30),(30, 31),(31, 32),(32, 33),(33, 34),(34, 35),(35, 36),(36, 37),(37, 38),(38, 39),(39, 40),(40, 41),(41, 42),(42, 43),(43, 44),(44, 45),(45, 46),(46, 47),(47, 48),(48, 49),(49, 50),(50, 51),(51, 52),(52, 53),(53, 54),(54, 55),(55, 56),(56, 57),(57, 58),(58, 59),(59, 60),(60, 61),(61, 62),(62, 63),(63, 64),(64, 65),(65, 66),(66, 67),(67, 68),(68, 69),(69, 70),(70, 71),(71, 72),(72, 73),(73, 74),(74, 75),(75, 76),(76, 77),(77, 78),(78, 79),(79, 80),(80, 81),(81, 82),(82, 83),(83, 84),(84, 85),(85, 86),(86, 87),(87, 88),(88, 89),(89, 90),(90, 91),(91, 92),(92, 93),(93, 94),(94, 95),(95, 96),(96, 97),(97, 98),(98, 99),(99, 100),(100, 101),(101, 102),(102, 103),(103, 104),(104, 105),(105, 106),(106, 107),(107, 108),(108, 109),(109, 110),(110, 111),(111, 112),(112, 113),(113, 114),(114, 115),(115, 116),(116, 117),(117, 118),(118, 119),(119, 120),(120, 121),(121, 122),(122, 123),(123, 124),(124, 125),(125, 126),(126, 127) " L=128; MAXSTATES=200; NUMBER_EIGENVALUES=1; {h=1;}

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DMRG application does not run
by Axel Gagge 10 Jan '17

10 Jan '17

?Hello! I'm running the ALPS docker container with IPython support (I have the last version of the container): docker run -p 8888:8888 dolfim/alps:2.2b4-notebook I am trying to run the first example from the DMRG tutorial (http://alps.comp-phys.org/mediawiki/index.php/ALPS_2_Tutorials:DMRG-01_DMRG) but I encounter a problem related to the lines of the code which runs, writes and reads the simulation data (script at http://alps.comp-phys.org/static/tutorials2.2.0/dmrg-01-dmrg/spin_one_half.…)<http://alps.comp-phys.org/static/tutorials2.2.0/dmrg-01-dmrg/spin_one_half.…>?. The script creates input files and task, but nothing more seems to happen and when trying to retrieve the output, there is just an empty list and thus I get an IndexError. Has anyone else encountered this problem? It should be reproducible with the Docker container. Terminal output provided below. Thanks, /Axel Gagge PhD Student Stockholm University alps@a6d9e036c68e:~/work$ alpspython spin_one-half.py dmrg parm_spin_one_half.in.xml --write-xml ALPS DMRG temporary files will be written to . ALPS/dmrg version 1.0.0 (2006/10/02) Density Matrix Renormalization Group algorithm for low-dimensional interacting systems. available from http://alps.comp-phys.org/ copyright (c) 2006-2013 by Adrian E. Feiguin 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 2.2.b4 available from http://alps.comp-phys.org/ copyright (c) 1994-2013 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. locale::facet::_S_create_c_locale name not valid Traceback (most recent call last): File "spin_one-half.py", line 54, in <module> for s in data[0]: IndexError: list index out of range

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MPS MPI
by Mateusz Łącki 07 Jan '17

07 Jan '17

Dear All I would like to ask if there is a way to run mps_optim simulation with many tasks with MPI. I expect that the DMRG/MPS algorithms are perhaps parallelizable only by openMP, but if a input file contains many tasks then tasks could be executed in parallel, as they process independent input files, and write to independent output files. However it seems that this functionality is not implemented. Am I right? Best, Mateusz Łącki

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