tebd gs calculation - Comp-phys-alps-users

25 Jul 2012


      Dear All,
I would like to ask about calculating GS energy in the tebd code. I
want to set up a simple BH model (for example L=20 sites, N=20
particles, J=0.1, U=1)
and to get energy for that case. I have done the following. I modified
tutorial1a.py file to be:
******************************        tutorial1a.py
**************************************************************************
parms=[]
count=0
for u in range(1):
        count+=1
        parms.append({
                  'L'                         : 10,
                  'MODEL'                     : 'boson Hubbard',
                  'CONSERVED_QUANTUMNUMBERS'  : 'N',
                  'N' : 10,
                  't'                         : 0.1,
                  'U'                         : 1.0,
                  'Nmax' : 5,
                  'ITP_CHIS' : [40 for x in range(7)],
                  'ITP_DTS' : [0.1,
0.05,0.025,0.0125,0.00625,0.003125,0.0015625],
                  'ITP_CONVS' : [1E-8 for x in range(7)],
                  'INITIAL_STATE' : 'ground',
                  'CHI_LIMIT' : 40,
                  'TRUNC_LIMIT' : 1E-12,
                  'NUM_THREADS' : 7,
                  'NUMSTEPS' : [0 for x in range(7)],
                  'SIMID' : count
                })
baseName='tutorial_1a'
#write output files
nmlnameList=pyalps.writeTEBDfiles(parms, baseName)
#run the application
res=pyalps.runTEBD(nmlnameList)
LEdata=pyalps.load.loadTimeEvolution(pyalps.getResultFiles(prefix='tutorial_1a'),
measurements=['Energy'])
print LEdata
********************************************************************************************************
I was planning to do something more sophisticated with LEdata further,
but I got stuck at:
******************************************   console output
*************************************************************
tebd tutorial_1a1.nml
  Time-Evolving Block Decimation Program
   available from http://alps.comp-phys.org/
   copyright(c) 2010 by Michael L. Wall mwall@mines.edu
                        Lincoln D. Carr lcarr@mines.edu
   For details see the publication:
   B. Bauer et al., J. Stat. Mech. (2011) P05001.
Based on the ALPS libraries version 2.0
   available from http://alps.comp-phys.org/
   copyright (c) 1994-2011 by the ALPS collaboration.
   Consult the web page for license details.
   For details see the publications:
   A.F. Albuquerque et al., J. of Magn. and Magn. Materials 310, 1187 (2007).
   B. Bauer et al., J. Stat. Mech. (2011) P05001.
At line 184 of file
/users/champ/lacki/al/alps202-gcc44/alps-2.0.2-r5790-src-with-boost/alps/applications/dmrg/tebd/tebd.f90
(unit = 138, file = 'tutorial_1a1.nml')
Fortran runtime error: End of file
Error in /users/champ/lacki/al/alps202-gcc44/alps-2.0.2-r5790-src-with-boost/alps/src/alps/ngs/lib/hdf5.cpp
on 484 in list_children:
The group '/timesteps/' does not exists.
stack trace:
    /users/champ/lacki/alps202-gcc446mpiok/lib/libalps.so.2(_ZNK4alps4hdf57archive13list_childrenESs+0x7c6)
[0x7f43c4d58776]
    /users/champ/lacki/alps202-gcc446mpiok/lib/pyalps/pyhdf5_c.so(_ZN4alps6python4hdf513list_childrenERNS_4hdf57archiveERKSs+0x44)
[0x7f43c5279734]
    /users/champ/lacki/alps202-gcc446mpiok/lib/pyalps/pyhdf5_c.so(_ZN5boost6python7objects23caller_py_function_implINS0_6detail6callerIPFNS0_4listERN4alps4hdf57archiveERKSsENS0_21default_call_policiesENS_3mpl7vector3IS5_S9_SB_EEEEEclEP7_objectSL_+0xa8)
[0x7f43c5282448]
    /users/champ/lacki/alps202-gcc446mpiok/lib/libboost.so(_ZNK5boost6python7objects8function4callEP7_objectS4_+0x28e)
[0x7f43c482560e]
    /users/champ/lacki/alps202-gcc446mpiok/lib/libboost.so(+0x2278b8)
[0x7f43c48258b8]
    /users/champ/lacki/alps202-gcc446mpiok/lib/libboost.so(_ZN5boost6python21handle_exception_implENS_9function0IvEE+0x5b)
[0x7f43c480ce3b]
    /users/champ/lacki/alps202-gcc446mpiok/lib/libboost.so(+0x2241c8)
[0x7f43c48221c8]
    /usr/lib64/libpython2.7.so.1.0(PyObject_Call+0x53) [0x35ed248fe3]
    /usr/lib64/libpython2.7.so.1.0(PyEval_EvalFrameEx+0x3b73) [0x35ed2de0a3]
    /usr/lib64/libpython2.7.so.1.0(PyEval_EvalCodeEx+0x855) [0x35ed2e1125]
    /usr/lib64/libpython2.7.so.1.0(PyEval_EvalFrameEx+0x5556) [0x35ed2dfa86]
    /usr/lib64/libpython2.7.so.1.0(PyEval_EvalCodeEx+0x855) [0x35ed2e1125]
    /usr/lib64/libpython2.7.so.1.0(PyEval_EvalCode+0x32) [0x35ed2e1252]
    /usr/lib64/libpython2.7.so.1.0() [0x35ed2fb3ac]
    /usr/lib64/libpython2.7.so.1.0(PyRun_FileExFlags+0x90) [0x35ed2fc1e0]
    /usr/lib64/libpython2.7.so.1.0(PyRun_SimpleFileExFlags+0xdf) [0x35ed2fcc5f]
    /usr/lib64/libpython2.7.so.1.0(Py_Main+0xb85) [0x35ed30e285]
    /lib64/libc.so.6(__libc_start_main+0xed) [0x35d182135d]
    python() [0x400651]
Traceback (most recent call last):
  File "/users/champ/lacki/alps202-gcc446mpiok/lib/pyalps/load.py",
line 636, in loadTimeEvolution
    L=h5file.list_children(resroot)
RuntimeError: Error in
/users/champ/lacki/al/alps202-gcc44/alps-2.0.2-r5790-src-with-boost/alps/src/alps/ngs/lib/hdf5.cpp
on 484 in list_children:
The group '/timesteps/' does not exists.
stack trace:
    /users/champ/lacki/alps202-gcc446mpiok/lib/libalps.so.2(_ZNK4alps4hdf57archive13list_childrenESs+0x7c6)
[0x7f43c4d58776]
    /users/champ/lacki/alps202-gcc446mpiok/lib/pyalps/pyhdf5_c.so(_ZN4alps6python4hdf513list_childrenERNS_4hdf57archiveERKSs+0x44)
[0x7f43c5279734]
    /users/champ/lacki/alps202-gcc446mpiok/lib/pyalps/pyhdf5_c.so(_ZN5boost6python7objects23caller_py_function_implINS0_6detail6callerIPFNS0_4listERN4alps4hdf57archiveERKSsENS0_21default_call_policiesENS_3mpl7vector3IS5_S9_SB_EEEEEclEP7_objectSL_+0xa8)
[0x7f43c5282448]
    /users/champ/lacki/alps202-gcc446mpiok/lib/libboost.so(_ZNK5boost6python7objects8function4callEP7_objectS4_+0x28e)
[0x7f43c482560e]
    /users/champ/lacki/alps202-gcc446mpiok/lib/libboost.so(+0x2278b8)
[0x7f43c48258b8]
    /users/champ/lacki/alps202-gcc446mpiok/lib/libboost.so(_ZN5boost6python21handle_exception_implENS_9function0IvEE+0x5b)
[0x7f43c480ce3b]
    /users/champ/lacki/alps202-gcc446mpiok/lib/libboost.so(+0x2241c8)
[0x7f43c48221c8]
    /usr/lib64/libpython2.7.so.1.0(PyObject_Call+0x53) [0x35ed248fe3]
    /usr/lib64/libpython2.7.so.1.0(PyEval_EvalFrameEx+0x3b73) [0x35ed2de0a3]
    /usr/lib64/libpython2.7.so.1.0(PyEval_EvalCodeEx+0x855) [0x35ed2e1125]
    /usr/lib64/libpython2.7.so.1.0(PyEval_EvalFrameEx+0x5556) [0x35ed2dfa86]
    /usr/lib64/libpython2.7.so.1.0(PyEval_EvalCodeEx+0x855) [0x35ed2e1125]
    /usr/lib64/libpython2.7.so.1.0(PyEval_EvalCode+0x32) [0x35ed2e1252]
    /usr/lib64/libpython2.7.so.1.0() [0x35ed2fb3ac]
    /usr/lib64/libpython2.7.so.1.0(PyRun_FileExFlags+0x90) [0x35ed2fc1e0]
    /usr/lib64/libpython2.7.so.1.0(PyRun_SimpleFileExFlags+0xdf) [0x35ed2fcc5f]
    /usr/lib64/libpython2.7.so.1.0(Py_Main+0xb85) [0x35ed30e285]
    /lib64/libc.so.6(__libc_start_main+0xed) [0x35d182135d]
    python() [0x400651]
[[], [], [], []]
********************************************************************************************************
I see that I shoudl specify time step, but I am interested only in
imaginary time evolution. Should I specify that in any way?
Regards,
Mateusz Łącki