September 2015 - Comp-phys-alps-users

About the stiffness in Direct loop QMC
by 郭怀明 20 Dec '15

20 Dec '15

Dear All, I have a question about the stiffness measured in direct loop QMC. I consider hard-core bosons, when the stiffness is the superfluid. I find its defination: <W^2_x+W^2_y>/2t\beta L, where W_x(y) is the winding number along the x or y direction. Suppose I have square lattice. If next nearest neighbor hopping is included with amplitude t', is its contribution is included in the code? Also if the lattice is two-leg ladder with NN and NNN hopping (the amplitudes are t and t'), the superfluid is along one direction. Is the contribution from the NN and NNN hoppings included? Sincerely, Huaiming Guo

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Problem running ALPS executables in parallel over Mac OS X and Ubuntu
by Andre Vieira 30 Sep '15

30 Sep '15

Hello, I would be glad if ALPS users could help me with a problem I've been experiencing. I have ALPS 2.2.b3 installed in an iMac (i5 mid 2011) and an i7 desktop running Ubuntu 15.04 64 bits, with openmpi (1.6.5) also present. I have no problem running ALPS executables in either computer, nor running basic programs using openmpi (for instance `mpirun -host <host> hostname`) from either machine to the other. I can also successfully run ALPS executables in either machine using openmpi locally. However, when I try to run an ALPS executable (e.g. loop) via openmpi using both machines simultaneously, the jobs are initiated, keep running indefinitely, but no output is produced, not even to the screen. Using mpirun with the -v flag gives no additional information. All I get is the following: dirac-2:qmc apvieira$ mpirun -v -np 7 loop --mpi heisloop20.in.xml --Tmin 5 ALPS/looper version 3.2b12-20100128 (2010/01/28) multi-cluster quantum Monte Carlo algorithms for spin systems available from http://wistaria.comp-phys.org/alps-looper/ copyright (c) 1997-2010 by Synge Todo <wistaria(a)comp-phys.org> using ALPS/parapack scheduler a Monte Carlo scheduler for multiple-level parallelization copyright (c) 1997-2013 by Synge Todo <wistaria(a)comp-phys.org> based on the ALPS libraries version 2.2.b3 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. Did anyone have this kind of problem before? Thanks, Andre Vieira

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dirloop_sse
by Huaiming Guo 27 Sep '15

27 Sep '15

Dear all, I use dirloop_sse to calculate the hardcore-boson Hubbard model, but with next nearest neighbor hoppings. I revised the model and lattice as below or in the attached file. However the result is not correct. I want to know where the problem is. Thank you very much. Sincerely, Huaiming Guo <HAMILTONIAN name="hardcore boson"> <PARAMETER name="mu" default="0"/> <PARAMETER name="t" default="1"/> <PARAMETER name="V" default="0"/> <PARAMETER name="t'" default="0"/> <PARAMETER name="V'" default="0"/> <PARAMETER name="t''" default="0"/> <PARAMETER name="V''" default="0"/> <PARAMETER name="t0" default="t"/> <PARAMETER name="t1" default="t'"/> <PARAMETER name="V0" default="V"/> <PARAMETER name="V1" default="V'"/> <BASIS ref="hardcore boson"/> <SITETERM site="i"> <PARAMETER name="mu#" default="mu"/> -mu#*n(i) </SITETERM> <BONDTERM source="i" target="j"> <PARAMETER name="t#" default="0"/> <PARAMETER name="V#" default="0"/> -t#*(bdag(i)*b(j)+bdag(j)*b(i)) + V#*n(i)*n(j) </BONDTERM> </HAMILTONIAN> <UNITCELL name="nnn2d" dimension="2"> <VERTEX/> <EDGE type="0"><SOURCE vertex="1" offset="0 0"/><TARGET vertex="1" offset="0 1"/></EDGE> <EDGE type="1"><SOURCE vertex="1" offset="0 0"/><TARGET vertex="1" offset="1 0"/></EDGE> <EDGE type="2"><SOURCE vertex="1" offset="0 0"/><TARGET vertex="1" offset="1 1"/></EDGE> <EDGE type="2"><SOURCE vertex="1" offset="0 0"/><TARGET vertex="1" offset="1 -1"/></EDGE> </UNITCELL> <LATTICEGRAPH name = "ladder" vt_name="LadderLattice"> <FINITELATTICE> <LATTICE ref="square lattice"/> <PARAMETER name="W" default="2"/> <EXTENT dimension="1" size="L"/> <EXTENT dimension="2" size="W"/> <BOUNDARY dimension="1" type="periodic"/> <BOUNDARY dimension="2" type="open"/> </FINITELATTICE> <UNITCELL ref="nnn2d"/> </LATTICEGRAPH>

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Report an inconsistency in QMC measurement of stiffness
by 郭怀明 27 Sep '15

27 Sep '15

Dear all, Recently I calculate hardcore on a two-leg ladder with nearest and next nearest neighbor hopping using QMC with direct loop update (dirloop_sse). I can define the lattice in two different ways (see the followings). The problem is the stiffness since the two ways give differnet resutls. I find the result from way 2 is about double of the one from way 1. This addresses a question that some measurement is related to the way how to define the lattice. It seems to me that the users should know more about the details of the codes. Sincerely, Huaiming Guo way1 (see the following): the unitcell contain one site, but is viewed as two dimension. It is the standard file provided by alps software. <UNITCELL name="nnn2d" dimension="2"> <VERTEX/> <EDGE type="0"><SOURCE vertex="1" offset="0 0"/><TARGET vertex="1" offset="1 0"/></EDGE> <EDGE type="1"><SOURCE vertex="1" offset="0 0"/><TARGET vertex="1" offset="0 1"/></EDGE> <EDGE type="2"><SOURCE vertex="1" offset="0 0"/><TARGET vertex="1" offset="1 1"/></EDGE> <EDGE type="2"><SOURCE vertex="1" offset="0 0"/><TARGET vertex="1" offset="1 -1"/></EDGE> </UNITCELL> <LATTICEGRAPH name = "ladder" vt_name="LadderLattice"> <FINITELATTICE> <LATTICE ref="square lattice"/> <PARAMETER name="W" default="2"/> <EXTENT dimension="1" size="L"/> <EXTENT dimension="2" size="W"/> <BOUNDARY dimension="1" type="periodic"/> <BOUNDARY dimension="2" type="open"/> </FINITELATTICE> <UNITCELL ref="nnn2d"/> </LATTICEGRAPH> way2: the unitcell contains two sites (the two sites on the rung which is vertical to the legs). <UNITCELL name="nnn1d" dimension="1" vertices="2"> <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="2" offset="0"/><TARGET vertex="2" offset="1"/></EDGE> <EDGE type="2"><SOURCE vertex="1" offset="0"/><TARGET vertex="2" offset="0"/></EDGE> <EDGE type="3"><SOURCE vertex="1" offset="0"/><TARGET vertex="2" offset="1"/></EDGE> <EDGE type="3"><SOURCE vertex="2" offset="0"/><TARGET vertex="1" offset="1"/></EDGE> </UNITCELL> <LATTICEGRAPH name = "chain lattice"> <FINITELATTICE> <LATTICE ref="chain lattice"/> <EXTENT dimension="1" size ="L"/> <BOUNDARY type="periodic"/> </FINITELATTICE> <UNITCELL ref="nnn1d"/> </LATTICEGRAPH>

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About the class DataSet
by Huaiming Guo 27 Sep '15

27 Sep '15

Dear All, I have a question about the dataset class. Suppose I have a variable "magnetization" in class dataset (see below). I prefer the data form as the following, X(1), y(1) X(2), y(2).. I want to know how I use the x of magnetization. I tried magnetization.x or magnetization.y, but it does not give me results. Many thanks for the reply. Sincerely, Huaiming class DataSet(ResultProperties): magnetization [x=[ 0. 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9 1. 1.2 1.4 1.6 1.8 2. 2.2 2.4 2.5] y=[0.000125981483652 +/- 0.000122322506977 0.00860528601563 +/- 0.000365690783567 0.0222620599739 +/- 0.00089047889358 0.0370211267606 +/- 0.000570927849528 0.048406793936 +/- 0.000429342486559 0.0584663763909 +/- 0.0004796634673 0.0728869134363 +/- 0.000659369158556 0.0893286949981 +/- 0.000587776900735 0.101889483066 +/- 0.000593519471563 0.1160502693 +/- 0.000825142408233 0.133805849632 +/- 0.00057575130612 0.165816585036 +/- 0.000469748080503 0.208087821355 +/- 0.000521162407847 0.258726150393 +/- 0.000553055778572 0.331226556639 +/- 0.000601625820527 0.434736729908 +/- 0.000675053120055 0.491099090239 +/- 0.0003387686197 0.499313131313 +/- 8.51581569713e-05 0.499728317659 +/- 5.31002968192e-05] props={'observable': 'Magnetization Density', 'local_S': 0.5, 'THERMALIZATION': 100.0, 'J': 1.0, 'SWEEPS': 100.0, 'L': 20.0, 'LATTICE': 'chain lattice', 'hdf5_p ath': '/simulation/results/Magnetization Density', 'xlabel': 'h', 'T': 0.08, 'yl abel': 'Magnetization Density', 'MODEL': 'spin', 'label': ''}]

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Re: [ALPS-users] dwa - bug?
by Mateusz Łącki 17 Sep '15

17 Sep '15

Dear Tama, I paste the files below. If I run dwa like that dwa conf.in.xml —Tmin=2 —Tmax=2 then the python script prints a 3x3 matrix for local density and local density^2 and if like this: mpirun -np 10 dwa —mpi conf.in.xml —Tmin=2 —Tmax=2 then it prints a 9x1 vector ******* conf.in.xml ******* <?xml version="1.0" encoding="UTF-8"?> <?xml-stylesheet type="text/xsl" href="ALPS.xsl"?> <JOB xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="http://xml.comp-phys.org/2003/8/job.xsd"> <OUTPUT file="conf.out.xml"/> <TASK status="new"> <INPUT file="conf.task1.in.xml"/> <OUTPUT file="conf.task1.out.xml"/> </TASK> </JOB> ******* conf.task1.in.xml ******* <?xml version="1.0" encoding="UTF-8"?> <?xml-stylesheet type="text/xsl" href="ALPS.xsl"?> <SIMULATION xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="http://xml.comp-phys.org/2003/8/QMCXML.xsd"> <PARAMETERS> <PARAMETER name="SKIP">32</PARAMETER> <PARAMETER name="L">3</PARAMETER> <PARAMETER name="MEASURE[Local Density]">True</PARAMETER> <PARAMETER name="LATTICE">square lattice</PARAMETER> <PARAMETER name="SEED">1504313687</PARAMETER> <PARAMETER name="U">1.0</PARAMETER> <PARAMETER name="T">0.04</PARAMETER> <PARAMETER name="MODEL">boson Hubbard</PARAMETER> <PARAMETER name="Nmax">5</PARAMETER> <PARAMETER name="THERMALIZATION">5000</PARAMETER> <PARAMETER name="SWEEPS">50000</PARAMETER> <PARAMETER name="NONLOCAL">0</PARAMETER> <PARAMETER name="mu">0.3828125</PARAMETER> <PARAMETER name="MEASURE[Local Density^2]">True</PARAMETER> <PARAMETER name="t">0.0595</PARAMETER> </PARAMETERS> </SIMULATION> ********** python script ******* import pyalps data = pyalps.loadMeasurements(pyalps.getResultFiles(prefix='conf’)) print data > On 16 Sep 2015, at 04:29, P. N. MA - Yotcopi Technologies <tamama(a)yotcopi.com> wrote: > > Hi Matthias, > > By default, I have disabled error bars for local densities. This is because for a more general case like 3D, the binned analysis use too much resource. > > @Mateusz: can you send me your python script, for me to reproduce this error? > > Thank you very much. > > Best regards, > Tama Ma > > Sent from my iPhone > >> On 16 Sep, 2015, at 3:20 am, Matthias Troyer <troyer(a)phys.ethz.ch> wrote: >> >> Tama, can you please check why there are no error bars and it is a 2D array when running with one process and a 1D array with error bars when using more? >> >> Matthias >> >>> On 15 Sep 2015, at 19:57, Mateusz Łącki <mateusz.lacki(a)gmail.com> wrote: >>> >>> I would like to report something I thing is a bug. >>> >>> If i measure “MEASURE[Local Density]” for the “square lattice”, the result is (output of the “.y” field of the : >>> >>> [[ 0.99406836 1.00126848 0.99186967 ] >>> [ 0.99634558 0.98947165 0.99828454 ] >>> [ 0.98602864 0.99223814 0.98709175 ]] >>> >>> and >>> 1.10723308538 +/- 0.000732833211551 >>> 1.09709344128 +/- 0.000725375608498 >>> 1.10916580731 +/- 0.000737136950109 >>> 1.09653825096 +/- 0.000711748290787 >>> 1.09386893991 +/- 0.000713199643571 >>> 1.09495623341 +/- 0.000711331680729 >>> 1.09890852882 +/- 0.000721818241453 >>> 1.09269699362 +/- 0.000716545982708 >>> 1.08871501476 +/- 0.000706327757539 >>> >>> if I compute it using MPI. >>> >>> I load the data using: >>> data = pyalps.loadMeasurements(pyalps.getResultFiles(prefix=pfix)) >>> >>> and I am speaking about proper element of the list data[0] that of one for which s.props['observable']=='Local Density' >>> >>> Please neglect different results as they come from different parameters. >>> >>> Best, >>> Mateusz Łącki >> >

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dwa - bug?
by Mateusz Łącki 15 Sep '15

15 Sep '15

I would like to report something I thing is a bug. If i measure “MEASURE[Local Density]” for the “square lattice”, the result is (output of the “.y” field of the : [[ 0.99406836 1.00126848 0.99186967 ] [ 0.99634558 0.98947165 0.99828454 ] [ 0.98602864 0.99223814 0.98709175 ]] and 1.10723308538 +/- 0.000732833211551 1.09709344128 +/- 0.000725375608498 1.10916580731 +/- 0.000737136950109 1.09653825096 +/- 0.000711748290787 1.09386893991 +/- 0.000713199643571 1.09495623341 +/- 0.000711331680729 1.09890852882 +/- 0.000721818241453 1.09269699362 +/- 0.000716545982708 1.08871501476 +/- 0.000706327757539 if I compute it using MPI. I load the data using: data = pyalps.loadMeasurements(pyalps.getResultFiles(prefix=pfix)) and I am speaking about proper element of the list data[0] that of one for which s.props['observable']=='Local Density' Please neglect different results as they come from different parameters. Best, Mateusz Łącki

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complex number in DMRG calculations
by hamid mosadegh 08 Sep '15

08 Sep '15

Dear All, Is it possible to add imaginary term to Hamiltonian in DMRG calculations or evaluate the expectation value of a operator with imaginary part. Thanks -- H. Mosadeq Shahr-e-Kord University (SKU), Shahr-e-Kord , Iran

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