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The meaning of the 'TruncatedWeight' in ALPS MPS simulation
by Rongyang Sun 11 Jan '18

11 Jan '18

Dear ALPS users, The ALPS MPS code can print 'TruncatedWeight' to estimate the error of the simulation. I have a question: What is the meaning of this quantity and the relation with the truncation error in traditional DMRG simulation? For Fig. 5 in Computer Physics Communications, 185(12):3430 – 3440, 2014., the quantity may be summed as the final truncation error after a sweep. Thanks a lot! Best regards, Rongyang Sun

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Documentation for MPS data structure
by Amir M.Aghaei 04 Jan '18

04 Jan '18

Hello and happy new year! I would like to be able to save(load) MPS with the ALPS format so that I can: i) initiate DMRG with custom MPS derived from a different code, or to be able to ii) use the overlap function and compare results of separate code to those of ALPS. The question is whether there is already a standard way implemented for such activities and is it documented? Also, is there a documentation for how the ALPS-MPS is saved in HDF5 format? Amir

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Maybe a DataSet.props bug for ALPS MPS Project
by Rongyang Sun 17 Dec '17

17 Dec '17

Dear all, I found an interesting wrong var assignment in ALPS MPS Project version: MAQUIS repo r4143 (2013-2014). It appears both on OSX bmg package version and builds from source code version on Linux. You can use the following simple script to reappear the problem: ******************************************************** # # Author: Rongyang Sun <sun-rongyang(a)outlook.com> # Date: 2017-12-13 11:59 # Last Modified Date: 2017-12-13 11:59 # Last Modified By: Rongyang Sun <sun-rongyang(a)outlook.com> # # Description: A demo to show the interesting bug # import pyalps #prepare the input parameters parms = [ { 'LATTICE' : "open chain lattice", 'MODEL' : "spin", 'CONSERVED_QUANTUMNUMBERS' : 'N,Sz', 'Sz_total' : 0, 'J' : 1, 'spin' : 1, 'SWEEPS' : 4, 'NUMBER_EIGENVALUES' : 1, 'L' : 10, 'MAXSTATES' : 100 } ] input_file = pyalps.writeInputFiles('bug',parms) res = pyalps.runApplication('mps_optim',input_file,writexml=True) data = pyalps.loadEigenstateMeasurements(pyalps.getResultFiles(prefix='bug'),verbose=True) print("\nMODEL: {0}".format(str(data[0][0].props['MODEL']))) ******************************************************** It will return "MODEL: 1" not the right "MODEL" parameter because I define an unused parameter 'spin' with value 1. Once a parameter with a name which appears at the value of 'MODEL', it will be replaced by the value of the parameter. It is more severe for 't-J' model case. if you set 't': 1.0 and 'J': 0.5, 'MODEL' will be assigned as 0.5 which equals 1.0('t') - 0.5('J')! I have checked the output hdf5 file and found that the wrong replace had happened in the file. That means it may be a bug about ALPS MPS code. Best regards, Rongyang Sun

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measuring truncation errors in mps_optim
by Robertson Esperanza 07 Dec '17

07 Dec '17

Thank you for all the help so far, now I'm trying to check for convergence of my results. First, is it enough to just check how the truncation error changes with sweeps (at a certain MAXSTATE value) or I need to both check the iteration history of the ground state energy and the truncation error? Second, checking the supplementary materials provided (Computer Physics Communications 185 (2014) 3430–3440) for the Hubbard ladder, why are there 381 values of energy and truncation weights for every iteration? Why is the total truncation error for that iteration is the sum of all the 381 truncation weight values (based on iteration.py)? How is truncation error defined (e.g. is it 1 - sum of all reduced density eigenvalues corresponding to all the picked states?) ? As far as I understand the DMRG algorithm every iteration/sweep has a corresponding bond dimension in which as you progress through iterations (until you reach the "SWEEPS"th iteration), bond dimension increases until you reach "MAXSTATES" at the "SWEEPS"th iteration. Regards, Robertson Esperanza

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mpirun
by Tadeusz Wasiutyński 22 Nov '17

22 Nov '17

I have installed alps with Conda. Now I can not figure out how to run it mpi mode: mpirun not found. Previously I always build from source and put some parameters in cmake command. What can I do now? -- Tadeusz Wasiutyński

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Questions about MEASURE_LOCAL_AT in MPS-DMRG
by Amir M.Aghaei 22 Nov '17

22 Nov '17

Hi, This is the documentation for 'MEASURE_LOCAL_AT' MEASURE_LOCAL_AT[NAME] > Syntax for the value: > [image: local_at_value.svg] > Defines a new measurement called NAME where the sequence of operators > op_1:...:op_n is applied to all tuples of indices (of length *n* like the > number of operators) listed after the vertical bar symbol. > I have three question: Q1: Are the indices, (i_11, ...i_1n), the vertex ids or vertex coordinates or the index of the vertex in some array, or sth else? Q2: I understand that the restriction i_1 < i_2 < i_3 ... is probably there to simplify the MPS contraction but is there a simple way to go around it? Q3: There is no limit on the number of measurement or the number of operators that can be defined, right? Amir

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compiling error in version 2.3.0
by benoît grémaud 22 Nov '17

22 Nov '17

Dear Developers, I am trying to install alps 2.3.0 on a centos 7 from the sources (including boost). cmake -D ALPS_ENABLE_OPENMP=ON -D Boost_ROOT_DIR:PATH=/home/gremaud/alps/alps-2.3.0-src-with-boost/boost/ -D CMAKE_INSTALL_PREFIX=/home/gremaud/alps/alps-2.3.0-install ../alps-2.3.0-src-with-boost/alps the file CMakeCache.txt is attached I obtain the following error: In file included from /usr/lib64/python2.7/site-packages/numpy/core/include/numpy/ndarraytypes.h:1728:0, from /usr/lib64/python2.7/site-packages/numpy/core/include/numpy/ndarrayobject.h:17, from /usr/lib64/python2.7/site-packages/numpy/core/include/numpy/arrayobject.h:15, from /home/gremaud/alps/alps-2.3.0-src-with-boost/alps/src/alps/python/numpy_import.hpp:40, from /home/gremaud/alps/alps-2.3.0-src-with-boost/alps/src/alps/ngs/detail/get_numpy_type.hpp:38, from /home/gremaud/alps/alps-2.3.0-src-with-boost/alps/src/alps/ngs/detail/paramvalue_reader.hpp:37, from /home/gremaud/alps/alps-2.3.0-src-with-boost/alps/src/alps/ngs/detail/paramvalue.hpp:34, from /home/gremaud/alps/alps-2.3.0-src-with-boost/alps/src/alps/ngs/params.hpp:33, from /home/gremaud/alps/alps-2.3.0-src-with-boost/alps/src/alps/ngs/api.hpp:32, from /home/gremaud/alps/alps-2.3.0-src-with-boost/alps/src/alps/ngs/lib/api.cpp:28: /usr/lib64/python2.7/site-packages/numpy/core/include/numpy/npy_deprecated_api.h:11:2: warning: #warning "Using deprecated NumPy API, disable it by #defining NPY_NO_DEPRECATED_API NPY_1_7_API_VERSION" [-Wcpp] #warning "Using deprecated NumPy API, disable it by #defining NPY_NO_DEPRECATED_API NPY_1_7_API_VERSION" ^ /usr/lib64/python2.7/site-packages/numpy/core/include/numpy/npy_deprecated_api.h:23:2: error: #error Should never include npy_deprecated_api directly. #error Should never include npy_deprecated_api directly. ^ make[2]: *** [src/alps/CMakeFiles/alps.dir/ngs/lib/api.cpp.o] Error 1 The version 2.2.b5 is compiling nicely on the same machine, even though there are a lot of similar warnings about "Using deprecated NumPy API", but no error. Thank you for your help, best regards, Benoît -------------------- Researcher at CNRS, Laboratoire Kastler Brossel (Paris, France) and UMI MajuLab (Singapore) Visiting Associate Professor at the Centre for Quantum Technologies (NUS, Singapore)

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HDF5 runtime error when using mps_optim application with 'optimization' parameter set 'singlesite' on CentOS Linux
by Rongyang Sun 19 Nov '17

19 Nov '17

Dear all, The application mps_optim works well on OS X system which is installed by dmg package. But on Linux, it threw the following error when I set the 'optimization' parameter as 'singlesite': ********************************************************************************* terminate called after throwing an instance of 'alps::hdf5::archive_error' what(): HDF5 error: -1 #0 ../../hdf5-1.10.1/src/H5D.c line 145 in H5Dcreate2(): unable to create dataset #1 ../../hdf5-1.10.1/src/H5Dint.c line 490 in H5D__create_named(): unable to create and link to dataset #2 ../../hdf5-1.10.1/src/H5L.c line 1695 in H5L_link_object(): unable to create new link to object #3 ../../hdf5-1.10.1/src/H5L.c line 1939 in H5L_create_real(): can't insert link #4 ../../hdf5-1.10.1/src/H5Gtraverse.c line 867 in H5G_traverse(): internal path traversal failed #5 ../../hdf5-1.10.1/src/H5Gtraverse.c line 639 in H5G_traverse_real(): traversal operator failed #6 ../../hdf5-1.10.1/src/H5L.c line 1731 in H5L_link_cb(): name already exists In /tmp/alps-2.3.0-src-with-boost/alps/src/alps/hdf5/archive.cpp on 133 in resource /opt/alps/lib/libalps.so.2(_ZN4alps4hdf56detail11check_errorEl+0x121) [0x7f44c5184db1] /opt/alps/lib/libalps.so.2(_ZNK4alps4hdf57archive5writeESsPKdSt6vectorImSaImEES6_S6_+0x168c) [0x7f44c526ddec] mps_optim(_ZN4alps4hdf54saveIdSt6vectorIdSaIdEEEEvRNS0_7archiveERKSsRKNS_7numeric6matrixIT_T0_EES2_ImSaImEESH_SH_+0x2bb) [0x51c7bb] mps_optim(_ZN4alps4hdf54saveINS_7numeric6matrixIdSt6vectorIdSaIdEEEESaIS7_EEEvRNS0_7archiveERKSsRKS4_IT_T0_ES4_ImSaImEESJ_SJ_+0x2e1) [0x51ce01] mps_optim(_ZN4alps4hdf5lsIRKSt6vectorINS_7numeric6matrixIdS2_IdSaIdEEEESaIS7_EEEEN5boost10disable_ifINS0_20has_complex_elementsINS_6detail10remove_cvrIT_E4typeEEERNS0_7archiveEE4typeESM_RKNS0_6detail14make_pvp_proxyISH_EE+0x6e) [0x51d3ae] mps_optim(_ZNK12block_matrixIN4alps7numeric6matrixIdSt6vectorIdSaIdEEEE12NU1_templateILi6EiEE4saveINS0_4hdf57archiveEEEvRT_+0x251) [0x571241] mps_optim(_ZN4alps4hdf54saveI12block_matrixINS_7numeric6matrixIdSt6vectorIdSaIdEEEE12NU1_templateILi6EiEEEEvRNS0_7archiveERKSsRKT_S5_ImSaImEESK_SK_+0xb2) [0x571492] mps_optim(_ZN4alps4hdf5lsIRK12block_matrixINS_7numeric6matrixIdSt6vectorIdSaIdEEEE12NU1_templateILi6EiEEEEN5boost10disable_ifINS0_20has_complex_elementsINS_6detail10remove_cvrIT_E4typeEEERNS0_7archiveEE4typeESO_RKNS0_6detail14make_pvp_proxyISJ_EE+0x6e) [0x57188e] mps_optim(_ZNK9MPSTensorIN4alps7numeric6matrixIdSt6vectorIdSaIdEEEE12NU1_templateILi6EiEE4saveINS0_4hdf57archiveEEEvRT_+0x158) [0x571a58] mps_optim(_ZN4alps4hdf54saveI9MPSTensorINS_7numeric6matrixIdSt6vectorIdSaIdEEEE12NU1_templateILi6EiEEEEvRNS0_7archiveERKSsRKT_S5_ImSaImEESK_SK_+0xb2) [0x571be2] mps_optim(_ZN4alps4hdf5lsIRK9MPSTensorINS_7numeric6matrixIdSt6vectorIdSaIdEEEE12NU1_templateILi6EiEEEEN5boost10disable_ifINS0_20has_complex_elementsINS_6detail10remove_cvrIT_E4typeEEERNS0_7archiveEE4typeESO_RKNS0_6detail14make_pvp_proxyISJ_EE+0x6e) [0x571fde] mps_optim() [0x47da4b] /usr/lib64/libgomp.so.1(+0x16435) [0x7f44c249e435] /usr/lib64/libpthread.so.0(+0x7e25) [0x7f44c389ae25] /usr/lib64/libc.so.6(clone+0x6d) [0x7f44c1fa734d] ********************************************************************************* The error is always thrown after the first sweep procedure,i.e., the beginning of the second sweep procedure. I built the ALPS from source code without met any error. So anyone has any ideas? Thanks a lot! Best regards, Rongyang Sun

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How to count dimension of graph defined in Lattice xml library
by Sun Rongyang 10 Nov '17

10 Nov '17

Dear all, The definition method of a lattice in ALPS is delicate. But I meet a problem about dimension counting of a pure graph. On the one hand, I define an pure anisotropic graph as: ************************************************************************************************* <GRAPH name="anisotropic open ladder graph test">  <EDGE tyep="0" source="1" target="2"/> <EDGE tyep="0" source="2" target="3"/> <EDGE tyep="0" source="3" target="4"/> <EDGE tyep="0" source="4" target="5"/> <EDGE tyep="0" source="6" target="7"/> <EDGE tyep="0" source="7" target="8"/> <EDGE tyep="0" source="8" target="9"/> <EDGE tyep="0" source="9" target="10"/> <EDGE tyep="1" source="1" target="6"/> <EDGE tyep="1" source="2" target="7"/> <EDGE tyep="1" source="3" target="8"/> <EDGE tyep="1" source="4" target="9"/> <EDGE tyep="1" source="5" target="10"/> </GRAPH> ************************************************************************************************* On the other hand, I use the default LATTICEGRAPH "open ladder", I copy here: ************************************************************************************************* <LATTICE name="square lattice" dimension="2"> <PARAMETER name="a" default="1"/> <BASIS><VECTOR>a 0</VECTOR><VECTOR>0 a</VECTOR></BASIS> <RECIPROCALBASIS><VECTOR>2*pi/a 0</VECTOR><VECTOR>0 2*pi/a</VECTOR></RECIPROCALBASIS> </LATTICE> <UNITCELL name="anisotropic2d" 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> </UNITCELL> <LATTICEGRAPH name = "open ladder" vt_name="OpenLadderLattice"> <FINITELATTICE> <LATTICE ref="square lattice"/> <PARAMETER name="W" default="2"/> <EXTENT dimension="1" size="L"/> <EXTENT dimension="2" size="W"/> <BOUNDARY dimension="1" type="open"/> <BOUNDARY dimension="2" type="open"/> </FINITELATTICE> <UNITCELL ref="anisotropic2d"/> </LATTICEGRAPH> ************************************************************************************************* with parameters L=2, W=5. Will they be treated as the same in ALPS? Or the graph equals as L=5,W=2 open ladder? Thanks a lot! Best regards, Rongyang Sun

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Problem with DMRG
by Natanael de Carvalho Costa 27 Oct '17

27 Oct '17

Dear All, I'm trying to get some results for the Periodic Anderson model (PAM) using DMRG. Precisely, I'm trying to analyze the PAM with crossed hybridizations. However, I'm getting different results for symmetric situations, where they must be equal. I will try to explain it below. In order to have the crossed PAM, I first created the lattice below. <LATTICES> <LATTICEGRAPH name="PAM_cross"> <FINITELATTICE> <LATTICE dimension="1"> <BASIS> <VECTOR>1</VECTOR> </BASIS> </LATTICE> <PARAMETER name="L"/> <EXTENT size="L"/> <BOUNDARY type="open"/> </FINITELATTICE> <UNITCELL dimension="1" vertices="2"> <VERTEX id="1" type="0"> </VERTEX> <VERTEX id="2" type="1"> </VERTEX> <EDGE type="2"> <SOURCE vertex="1"/><TARGET vertex="2"/> </EDGE> <EDGE type="1"> <SOURCE vertex="1"/><TARGET vertex="1" offset="1"/> </EDGE> <EDGE type="3"> <SOURCE vertex="1"/><TARGET vertex="2" offset="1"/> </EDGE> <EDGE type="4"> <SOURCE vertex="2"/><TARGET vertex="1" offset="1"/> </EDGE> </UNITCELL> </LATTICEGRAPH> </LATTICES> where vertex '0' and '1' will describe d- and f-electrons, respectively. Furthermore, the edge '1' will correspond to the hopping of d-electrons, edge '2' the local hybridization, and edges '3' and "4" the crossed hybridizations. I chose the "alternative fermion Hubbard" Hamiltonian, since I'm interested to conserve the total number of particles operator. In this notation, I have t1=t, t2=V_local, t3=Vcross1 and t4=V_cross2. My first test was for t1=1, t2=t4=0.75 and t3=0, which corresponds to a sawtooth chain. Notice that in this case exchanging the index 3 and 4 (i.e. making t3=0.75 and t4=0) just reflects the lattice, and should not have any physical effect. Thus, the results *must* be the same. However, I getting different results for these two cases in a vast variety of parameters. For instance, fixing SWEEPS=5 MAXSTATES=100 CONSERVED_QUANTUMNUMBERS= "N" N_total = 24; L=12; t1=1.0; t2=0.75; t4=0.0; U0=0.0; U1=1.0; mu1=0.5; {t3=0.75;} I get E=-31.251093744938501. But for t3=0 and t4=0.75, it is -31.785332039272376. I checked it with an old code I have, and the latter is the right one. So, do you know what is happening? Did I do something wrong? I appreciate if you can help me with it. Thanks in advance. I look forward to hearing from you in due course. Yours Sincerely, Natanael C. Costa

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