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

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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Density-density correlator in Interaction expansion
by Swagata Acharya 29 Aug '15

29 Aug '15

Hi I am using interaction expansion to solve a lattice problem using DMFT. I want to find the dynamic density-density correlators as well. How can it be done within interaction expansion scheme. While the same can be done turning the corresponding flag on for hybridization-expansion scheme, and I have used it vigorously. Thnaks Swagata *........................................................................................................................................................................Swagata Acharya* Dept. of Physics and Meteorology IIT Kharagpur B C Roy Hall of Residence Room NW 204 Mob: +91 9836893829 +91 9088377636 Volunteer : Padakshep , Vivekananda Study Circle Secretary: Padakshep(www.padakshep.org) *................................................................................................................................*

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debugging alps
by Mateusz Łącki 26 Aug '15

26 Aug '15

Dear All, I would like to ask for some practical tips how to effectively debug alps applications: Is there a way how to build alps with debug flags switched on?. I would appreciate an ability to use a debugger such as gdb to debug the alps applications code. Does the debugging logic depend heavily on a particular alps application (meaning is debugging modifications of mps_optim moreless equivalent to debugging dwa code)? Can this debug mode be turned on using the cmake flags? Best, Mateusz Łącki

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Installing Alps Mps On Windows
by Henry Otobrise 24 Aug '15

24 Aug '15

Thanks for having me on the list. I am new to the Alps Project. I have installed the 32-bit Windows version of ALPS 2.3b and Vistrails using binary installer. However, I have a problem running applications using python scripts as the interpreter does not recognise the imported Alps packages, e.g. pyalps. What do I do to fix this? Secondly, how do I instal new packages, particularly Alps Mps, to an existing Alps installation in the absence of a binary installer? Kindly help. With best regards, Henry Otobrise. > > 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: mps_optim - segfault (Michele Dolfi) > 2. Re: mps_optim - segfault (Mateusz ??cki) > 3. Re: mps_optim - segfault (Michele Dolfi) > > > -----------------------------------------

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mps_optim - segfault
by Mateusz Łącki 24 Aug '15

24 Aug '15

Dear All, I wish to report a suboptimal behaviour in the mps_optim: setting the initial state with wrong L (L=10 and there are 12 spins defined) L=10; init_state="local_quantumnumbers" initial_local_S="0.5,0.5,0.5,0.5,0.5,0.5,0.5,0.5,0.5,0.5,0.5,0.5" initial_local_Sz="0.5,-0.5,0.5,0.5,-0.5,0.5,-0.5,-0.5,0.5,-0.5,0.5,0.5” produces a nasty segfault with no warning (in almost all other cases of setting something wrong a message explaining a nature of the problem is printed). This is not a bug, but a nuissance. Best, Mateusz Łącki

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