Comp-phys-alps-users April 2014

comp-phys-alps-users@lists.phys.ethz.ch

12 participants
12 discussions

Inconsistent comment in generate_spline_matrix in the DMFT folder
by Kuangshing Chen 22 Jul '15

22 Jul '15

Hi, The function generate_spline_matrix in fouriertransform.C in the dmft folder shows the comments as follows: // A is the matrix whose inverse defines spline_matrix // // 6 6 // 1 4 1 // 1 4 1 // A = ... // // 1 4 1 // -2 0 0 2 However, the following codes, dense_matrix A = 4*dt/6.*boost::numeric::ublas::identity_matrix<double>(Np1); for (int i=1; i<Np1-1; i++) { A(i,i-1) = dt/6.; A(i,i+1) = dt/6.; } A(0,0) = 1.; A(0, Np1-1) = 1.; A(Np1-1, 0) = -2.*dt/6.; A(Np1-1, 1) = -1.*dt/6.; A(Np1-1, Np1-2) = 1*dt/6.; A(Np1-1, Np1-1) = 2*dt/6.; the red lines will make the matrix looks like // 6 6 // 1 4 1 // 1 4 1 // A = ... // // 1 4 1 // -2 *-1* *1* 2 Is the comment correct or the code correct? Any reference for this algorithm? Thank you, Kuang-Shing Chen

5 25

Unconventional hopping
by vitbka konef 05 Jun '14

05 Jun '14

Hi all, Thanks for the help. I did it, in some way! With best regards.

2 4

dynamical correlation functions
by Stefano Di Sabatino 11 May '14

11 May '14

Dear ALPS users, is it possible to obtain from sparsediag or fulldiag, dynamical correlation functions? In particular I'm interested in green functions to compute spectral functions in terms of the frequency. Thanks, Stefano

2 1

Unconventional hopping
by vitbka konef 23 Apr '14

23 Apr '14

Dear ALPS users, I have question related with the Worm method. Does anybody know how add this hoppings : t1*(S_{i+}T_{j-}+S_{i-}T_{j+}) and t2*(T_{i+}T_{j-}+T_{i-}T_{j+}) , where T_{i+-}=S_{iz}S_{i+-}+S_{i+-}S_{iz}?

1 0

Installing ALPS on Fedora 20
by Niraj Ghimire 19 Apr '14

19 Apr '14

Dear alps users, I am trying to install alps on Fedora 20 and I am wondering what instructions to follow. Could you please tell me where I can find the detailed instructions on how to install alps along with dependent libraries and tools ? Thanks, Niraj Ghimire Graduate Student in Physics University of Connecticut

1 0

ALPS 2.2b1 'make' error on Ubuntu 12.04 LTS
by Yi-Ping Huang 16 Apr '14

16 Apr '14

Dear ALPS users/developers, After ccmake, I am trying to make the ALPS 2.2b1. The process ends at Linking CXX executable jacobidavidson2 /opt/intel/composer_xe_2013_sp1.2.144/mkl/lib/intel64/libmkl_core.so: undefined reference to `pthread_mutex_trylock' collect2: error: ld returned 1 exit status make[2]: *** [example/ietl/jacobidavidson2] Error 1 make[1]: *** [example/ietl/CMakeFiles/jacobidavidson2.dir/all] Error 2 make: *** [all] Error 2 Is it because some incompatibility of mkl library and Ubuntu's library? or I made some mistake when I generate the make file. I got stuck by this problem for days, any suggestion is welcome. Thanks. Best, Yi-Ping My cmake configuration is like: -- Compiler version: c++ (Ubuntu 4.8.1-2ubuntu1~12.04) 4.8.1 -- Build type: Release -- Python interpreter /usr/bin/python -- Python interpreter ok : version 2.7.3 -- PYTHON_INCLUDE_DIRS = /usr/include/python2.7 -- PYTHON_NUMPY_INCLUDE_DIR = /usr/lib/python2.7/dist-packages/numpy/core/include -- PYTHON_SITE_PKG = /usr/lib/python2.7/dist-packages -- PYTHON_LIBRARY = /usr/lib/python2.7/config/libpython2.7.so -- PYTHON_EXTRA_LIBS =-lssl -lcrypto -lssl -lcrypto -L/usr/lib -lz -lpthread -ldl -lutil -- PYTHON_LINK_FOR_SHARED = -Xlinker -export-dynamic -Wl,-O1 -Wl,-Bsymbolic-functions -- ALPS version: 2.2.b1 -- Looking for precompiled Boost libraries (version >= 1.48) -- Adding Boost dir: /usr/include -- MPI compiler was /usr/bin/mpicxx -- LAPACK DEBUG::Compiler id GNU -- LAPACK DEBUG::Compiler version -- LAPACK DEBUG::Processor x86_64 -- LAPACK DEBUG::ENV{MKL} -- LAPACK DEBUG::ENV{MKLROOT} /opt/intel/composer_xe_2013_sp1.2.144/mkl -- LAPACK DEBUG::ENV{MKL_HOME} -- LAPACK DEBUG::MKL_VERSION (raw) 1.2.144 -- LAPACK DEBUG::MKL_VERSION 10.3.1 -- Found intel/mkl library -- LAPACK DEBUG::LAPACK_LIBRARY = -L/opt/intel/composer_xe_2013_sp1.2.144/mkl/lib/intel64;-lmkl_intel_lp64;-lmkl_sequential;-lmkl_core;-lpthread;-lm -- SQLite Library: not found -- LPSolve Library: not found -- HDF5: /usr/include debug;/usr/lib/libhdf5_hl.so;/usr/lib/libhdf5.so;/usr/lib/x86_64-linux-gnu/libpthread.so;/usr/lib/x86_64-linux-gnu/libz.so;/usr/lib/x86_64-linux-gnu/libm.so;optimized;/usr/lib/libhdf5_hl.so;/usr/lib/libhdf5.so;/usr/lib/x86_64-linux-gnu/libpthread.so;/usr/lib/x86_64-linux-gnu/libz.so;/usr/lib/x86_64-linux-gnu/libm.so HDF5_DLL-NOTFOUND;HDF5_HL_DLL-NOTFOUND -- Python interpreter /usr/bin/python -- Python interpreter ok : version 2.7.3 -- PYTHON_INCLUDE_DIRS = /usr/include/python2.7 -- PYTHON_NUMPY_INCLUDE_DIR = /usr/lib/python2.7/dist-packages/numpy/core/include -- PYTHON_SITE_PKG = /usr/lib/python2.7/dist-packages -- PYTHON_LIBRARY = /usr/lib/python2.7/config/libpython2.7.so -- PYTHON_EXTRA_LIBS =-lssl -lcrypto -lssl -lcrypto -L/usr/lib -lz -lpthread -ldl -lutil -- PYTHON_LINK_FOR_SHARED = -Xlinker -export-dynamic -Wl,-O1 -Wl,-Bsymbolic-functions -- Numpy include in /usr/lib/python2.7/dist-packages/numpy/core/include -- ALPS XML dir is /home/yi-ping/ALPS/ALPS2.2/lib/xml -- HDF5: /usr/include debug;/usr/lib/libhdf5_hl.so;/usr/lib/libhdf5.so;/usr/lib/x86_64-linux-gnu/libpthread.so;/usr/lib/x86_64-linux-gnu/libz.so;/usr/lib/x86_64-linux-gnu/libm.so;optimized;/usr/lib/libhdf5_hl.so;/usr/lib/libhdf5.so;/usr/lib/x86_64-linux-gnu/libpthread.so;/usr/lib/x86_64-linux-gnu/libz.so;/usr/lib/x86_64-linux-gnu/libm.so HDF5_DLL-NOTFOUND;HDF5_HL_DLL-NOTFOUND;HDF5_DLL-NOTFOUND;HDF5_HL_DLL-NOTFOUND -- HDF5: /usr/include debug;/usr/lib/libhdf5_hl.so;/usr/lib/libhdf5.so;/usr/lib/x86_64-linux-gnu/libpthread.so;/usr/lib/x86_64-linux-gnu/libz.so;/usr/lib/x86_64-linux-gnu/libm.so;optimized;/usr/lib/libhdf5_hl.so;/usr/lib/libhdf5.so;/usr/lib/x86_64-linux-gnu/libpthread.so;/usr/lib/x86_64-linux-gnu/libz.so;/usr/lib/x86_64-linux-gnu/libm.so HDF5_DLL-NOTFOUND;HDF5_HL_DLL-NOTFOUND;HDF5_DLL-NOTFOUND;HDF5_HL_DLL-NOTFOUND -- tebd will not be built -- HDF5: /usr/include debug;/usr/lib/libhdf5_hl.so;/usr/lib/libhdf5.so;/usr/lib/x86_64-linux-gnu/libpthread.so;/usr/lib/x86_64-linux-gnu/libz.so;/usr/lib/x86_64-linux-gnu/libm.so;optimized;/usr/lib/libhdf5_hl.so;/usr/lib/libhdf5.so;/usr/lib/x86_64-linux-gnu/libpthread.so;/usr/lib/x86_64-linux-gnu/libz.so;/usr/lib/x86_64-linux-gnu/libm.so HDF5_DLL-NOTFOUND;HDF5_HL_DLL-NOTFOUND;HDF5_DLL-NOTFOUND;HDF5_HL_DLL-NOTFOUND -- Configuring done -- Generating done -- Build files have been written to: /home/yi-ping/ALPS/ALPS2.2/alps-2.2.b1-r7195-src-with-boost/build

2 1

ALPS worm simulations hung after re-starting from checkpoints
by vvarma＠ictp.it 15 Apr '14

15 Apr '14

Dear ALPS users, I have a large list of tasks run from a given job file *parm.in.xml*, which got terminated after some tasks were completed; my *parm.out.xml* looks like this after the termination: ===========<SNIP-1>================= /......// //......// // <TASK status="finished">// // <INPUT file="parm.task62.out.xml"/>// // </TASK>// // <TASK status="finished">// // <INPUT file="parm.task63.out.xml"/>// // </TASK>// // <TASK status="new">// // <INPUT file="parm.task64.out.xml"/>// // </TASK>// // <TASK status="new">// //......// //....../ ============<SNIP-1>================ To restart the job from task64, I execute the command (without changing anything in the output files) *worm**--Tmin 10 parm.out.xml* Could you please confirm that this is correct? I ask because nothing seems to proceed after a while after executing the above: ============<SNIP-2>=============== /.........// //.........// //Loading information about run 1 from file parm.task62.out.run1// //Loading information about run 1 from file parm.task63.out.run1// //Task 1 finished.// //........// //........// / /Task 63 finished.// //Created run 1 locally// //Starting task 64.// //Checking if it is finished: not yet, next check in 10 seconds ( 0% done).// //Checking if it is finished: not yet, next check in 203 seconds ( 1% done).// //Checking if it is finished: not yet, next check in 174 seconds ( 23% done)./ =============<SNIP-2>============== >From thereon the simulation just hangs for many hours (I've tried this procedure repeatedly), which it should not because my SWEEPS and THERMALIZATION are not excessively large. Any ideas on why the re-started simulations don't seem to proceed are appreciated. With regards, Vipin

3 4

Re: [ALPS-users] (no subject)
by Emanuel Gull 13 Apr '14

13 Apr '14

Dear Tesfaye, unfortunately the current version of the code does not support checkpointing. If your thermalization time is short compared to the typical power interruption time, try this: Run short simulations with different seeds (parameter SEED=XXX) but the same input data and then average the results in the end. So instead of running one 24-h simulation run four 6h-simulations with four different seeds. That way, if your power cuts out, you will never lose more than 6h of work. Best, Emanuel >> >> From: tesfaye mamuye <tesfa2127(a)yahoo.com> >> Subject: [ALPS-users] (no subject) >> Date: 12 Apr 2014 12:00:13 GMT+2 >> To: "comp-phys-alps-users(a)lists.phys.ethz.ch" <comp-phys-alps-users(a)lists.phys.ethz.ch> >> Reply-To: tesfaye mamuye <tesfa2127(a)yahoo.com>, comp-phys-alps-users(a)lists.phys.ethz.ch >> >> Dear ALPS developers/ Users >> >> I am using alps CT-QMC . But because of power intruption it is seldom to finalize the the simulation. Is there a way to restart the simulation from where it is stopped ? >> >> >> Tesfaye >> Addis Ababa University, Ethiopia --------------------------------------------------------------------- Emanuel Gull Assistant Professor University of Michigan Randall Lab, 450 Church St., Ann Arbor, MI 48109 +1 734/615-0726 ---------------------------------------------------------------------

1 0

Problem with WriteInputFiles
by "Wojciech Mikołaj Brzezicki" 12 Apr '14

12 Apr '14

Hi All, I have a problem with WriteInputFiles module. It produces error message: Uncaught exception: "[Errno 2] No such file or directory: 'C:\\Program Files\\VisTrails\\Python27_64\\..\\lib\\xml\\ALPS.xsl'" Traceback (most recent call last): File "C:\Program Files\VisTrails\vistrails\core\modules\vistrails_module.py", line 372, in update self.compute() File "C:\Program Files\VisTrails\vistrails\packages\alps\tools.py", line 157, in compute pyalps.writeInputFiles(os.path.join(dir.name,base_name),l,baseseed) File "C:\Program Files\VisTrails\Python27_64\lib\site-packages\pyalps\tools.py", line 410, in writeInputFiles copyStylesheet(dirname) File "C:\Program Files\VisTrails\Python27_64\lib\site-packages\pyalps\tools.py", line 291, in copyStylesheet shutil.copyfile(xslPath(), target) File "C:\Program Files\VisTrails\Python27_64\lib\shutil.py", line 82, in copyfile with open(src, 'rb') as fsrc: IOError: [Errno 2] No such file or directory: 'C:\\Program Files\\VisTrails\\Python27_64\\..\\lib\\xml\\ALPS.xsl' I have installed: alps-2.2.b1-win64 vistrails-x64-setup-2.1 alps-vistrails-2.2.b1-win64 on Windows 7 Professional in the default directiories and I let the APLS modify the PATH variable. Can anyone help me? Wojtek

2 2

(no subject)
by tesfaye mamuye 12 Apr '14

12 Apr '14

Dear ALPS developers/ Users I am using alps CT-QMC . But because of power intruption it is seldom to finalize the the simulation. Is there a way to restart the simulation from where it is stopped ? Tesfaye Addis Ababa University, Ethiopia

1 0

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Comp-phys-alps-users April 2014