December 2015 - Comp-phys-alps-users

Problem in running the ALPS (spinmc) code in the parallel mode aith MPI
by D´Souza, Sunil Wilfred 15 Feb '16

15 Feb '16

Dear ALPS users, I am trying to run a spinmc simulation in the parallel mode by using the command mpiexec -np 2 spinmc --mpi parm2a.in.xml --Tmin 5 On executing the command I am getting the following error messages [LIN21:20344] *** Process received signal *** [LIN21:20344] Signal: Segmentation fault (11) [LIN21:20344] Signal code: Address not mapped (1) [LIN21:20344] Failing at address: (nil) [LIN21:20344] [ 0] /lib64/libpthread.so.0(+0xf9f0) [0x7f85f73969f0] [LIN21:20344] [ 1] /opt/openmpi/1.4.5/gcc/lib64/openmpi/mca_pml_v.so(+0x1b62) [0x7f85f1359b62] [LIN21:20344] [ 2] /opt/openmpi/1.4.5/gcc/lib64/libopen-pal.so.0(mca_base_components_close+0x76) [0x7f85f66286c6] [LIN21:20344] [ 3] /opt/openmpi/1.4.5/gcc/lib64/libmpi.so.0(mca_pml_base_select+0x301) [0x7f85f6b2cd11] [LIN21:20344] [ 4] /opt/openmpi/1.4.5/gcc/lib64/libmpi.so.0(+0x39acc) [0x7f85f6aecacc] [LIN21:20344] [ 5] /opt/openmpi/1.4.5/gcc/lib64/libmpi.so.0(MPI_Init+0x16b) [0x7f85f6b0ca8b] [LIN21:20344] [ 6] /home/sunil/ALPS2.2/lib/libalps.so.2(_ZN4alps9comm_initERiRPPcb+0x58) [0x7f85f8327088] [LIN21:20344] [ 7] /home/sunil/ALPS2.2/lib/libalps.so.2(_ZN4alps9scheduler5startEiPPcRKNS0_7FactoryE+0x37) [0x7f85f85678d7] [LIN21:20344] [ 8] spinmc(main+0x15) [0x449a85] [LIN21:20344] [ 9] /lib64/libc.so.6(__libc_start_main+0xf5) [0x7f85f454bbe5] [LIN21:20344] [10] spinmc() [0x449dd5] [LIN21:20344] *** End of error message *** -------------------------------------------------------------------------- mpiexec noticed that process rank 0 with PID 20344 on node LIN21 exited on signal 11 (Segmentation fault). -------------------------------------------------------------------------- I have tried running a band structure code in the parallel mode using the mpirun and i am having no problems in running that code. but in the case of ALPS, I am encountering the above problem. I am attaching the cmake txt file for your consideration to make sure that all the fields are correct. I have crosschecked the MPI library path in cmake txt file and i find it to be alright. I am not able to figure out what exactly is causing this problem. I am kindly requesting you to provide me help in solving this issue. I thank you in advance for your time and consideration. with best regards Sunil

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Question on time series and autocorrelation time
by Leo Fang 20 Dec '15

20 Dec '15

Hello, After the Monte Carlo simulation is done, the time series as well as the autocorrelation time (tau) for each observable are recorded in the path /simulation/results/ of the hdf5 file. (For example, /simulation/results/observable/timeseries/data gives the time series.) I have two questions: 1. What determines the length of the time series array? In my experience its typical size is around 100. How does ALPS decide to cut the array? 2. If the binning method is not specified, what's the default way of calculating tau? I've tried to calculate the integrated autocorrelation time using the recorded time series, but it's not exactly same as tau given by ALPS. Thank you. Sincerely, Leo (Fang Yao-Lung) Duke Physics

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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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About the measurement in direct loop QMC
by 郭怀明 20 Dec '15

20 Dec '15

Dear all, I want to ask a question about the measurement in direct loop QMC. 1: can we use "Measure[Bond type stiffness]=True " for hardcore bosons? Since I use it, no result is returned. 2: If I use " MEAURE_FACTOR[Name]="n" " to measure the stucture factor, the error appears. Does QMC not support such expression? 3: When I measure the structure factor, are the structure factor with all possible momentum provided? Can I specify the wanted momentum, such as: 2\pi/3 for 1D? Thank you very much. Sincerely, Huaiming Guo

2 1

Defining a complex operator in model.xml file for alps_mps_optim
by Henry Otobrise 08 Dec '15

08 Dec '15

Dear users, I need to use the Alps_mps_optim code to compute the expectation values of some complex operators e.g. string and parity operators. However, after modifying the model.xml file to define the operator of interest (following Michele Dolfi's earlier suggestion), I kept getting error messages indicating that I must have done somethings wrong in the model.xml file. Below is the relevant portion of the model.xml file that includes the modifications made by me: <SITEBASIS name="boson"> <PARAMETER name="rho" default="1" /> <PARAMETER name="theta" default="pi" /> !my modification <PARAMETER name="Nmax" default="infinity" /> <QUANTUMNUMBER name="N" min="0" max="Nmax" /> <OPERATOR name="bdag" matrixelement="sqrt(N+1)"> <CHANGE quantumnumber="N" change="1" /> </OPERATOR> <OPERATOR name="b" matrixelement="sqrt(N)"> <CHANGE quantumnumber="N" change="-1" /> </OPERATOR> <OPERATOR name="n" matrixelement="N" /> <OPERATOR name="n2" matrixelement="N*N" /> <OPERATOR name="dn" matrixelement="rho-N" /> <OPERATOR name="strireal" matrixelement="cos(theta*(rho-N))" /> !my modification <OPERATOR name="strimag" matrixelement="1j*sin(theta*(rho-N))" /> !my modification <OPERATOR name="string" matrixelement="cos(theta*(rho-N))+1j*sin(theta*(rho-N))" /> !my modification </SITEBASIS> Following is the result produced by the attempt to run the code with the modifications: Running task 1. This binary contains symmetries: nu1 MAQUIS repo r4143 Temporary storage enabled in /home/henry/Documents/ALPS_TEMP_DATA/storage_temp_ad178b56d3f6/ Restoring state. Will start again at site -1 in sweep 16 Exception thrown: Did not parse to end of string 'cos(theta*(rho-N))+1j*sin(theta*(rho-N))' henry@TheoreticalPhys-OAU:~$ The code ran when the "string" operator definition is removed, so that I believe that the problem is with my definition of the "string" operator. I will appreciate any assistance to help solve this problem. Thank you and best regards. Henry Otobrise, Dept. of Physics and Engineering Physics OAU, Ile-Ife, Nigeria.

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Weird error when compiling ALPS as a release build on Linux
by Leo Fang 04 Dec '15

04 Dec '15

Hello all, I used the following command to build the ALPS 2.2.0.b3 library (with Boost source code): cmake \ -D ALPS_BUILD_TESTS=OFF \ -D ALPS_BUILD_EXAMPLES=OFF \ -D ALPS_BUILD_APPLICATIONS=ON \ -D ALPS_BUILD_PYTHON=ON \ -D LAPACK_64_BIT=ON \ -D Boost_ROOT_DIR=/home/yf30/alps-2.2.b3-r7462-src-with-boost/boost/ \ -D CMAKE_BUILD_TYPE=Release \ -D CMAKE_INSTALL_PREFIX=/home/yf30/alps/ \ -D CMAKE_C_COMPILER=/usr/bin/gcc \ -D CMAKE_CXX_COMPILER=/usr/bin/g++ \ -D ALPS_ENABLE_MPI=ON \ -D MPI_CXX_COMPILER=/usr/lib64/openmpi/bin/mpicxx \ -D MPI_C_INCLUDE_PATH=/usr/include/openmpi-x86_64/ \ -D MPI_C_LIBRARIES="/usr/lib64/openmpi/lib/libmpi.so;/usr/lib64/openmpi/lib/libopen-pal.so;/usr/lib64/openmpi/lib/libopen-rte.so" \ -D MPI_CXX_INCLUDE_PATH=/usr/include/openmpi-x86_64/ \ -D MPI_CXX_LIBRARIES="/usr/lib64/openmpi/lib/libmpi_cxx.so;/usr/lib64/openmpi/lib/libopen-pal.so;/usr/lib64/openmpi/lib/libopen-rte.so" \ /home/yf30/alps-2.2.b3-r7462-src-with-boost/alps/ However, when I execute the hybridization solver, the program terminates with the following error message: (input parameter omitted) Hybridization Expansion Simulation CT-HYB Part of the ALPS DMFT Project Usage requires citation of the ALPS CT-HYB paper and the ALPS paper Refer to the documentation for more information. process 0 of total: 1 starting simulation in dgesv: info was not zero. After a lot of trials and errors, I found that if I set "CMAKE_BUILD_TYPE=Debug" when building ALPS, this error does not show up and I do get correct results. I thought the only difference between a debug build and a release build is that the former has an extra "-g" flag to include debug symbols. Why would the lapack function dgesv be wrong? Thanks. Sincerely, Leo (Fang Yao-Lung) Duke Physics

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spin correlations in classicla ALPS simulations
by D´Souza, Sunil Wilfred 04 Dec '15

04 Dec '15

Dear ALPS users, I am trying classical Monte Carlo simulations using the executable (spinmc) by considering the 3D Heisenberg model. I am interested in studying the spin correlation functions. In this regard, I was searching for the key word by using which i will be able to obtain the spin correlation data. but i have not come across any key words related to the spin correlation measurements in the classical case of the ALPS simulations. Henceforth, I am very kindly requesting you to let me know that is it possible to determine the spin correlations by using the spinmc executable and if so please provide me with the necessary details. I am eagerly looking forward for your valuable suggestions.I thank you in advance for your time and consideration with best regards Sunil

2 1

About the Green function in QMC
by 郭怀明 02 Dec '15

02 Dec '15

Dear All, I have a question regarding measuring Green function in QMC with directed loop update. In my understanding, the green function is the average G_{i,j}=<b^\dagger_i b_j>. If i=j, G should equal the local density. However it turns out that they are not equal. I wonder what is wrong with my understanding. I appreciate the replies. Sincerely, Huaiming Guo

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