Hi,
tha code seems to be stuck.
You are running on 8 cpus, but the version of the want you are running
(2.1.0) is parallel only in the transport part. Try to run serial.
BTW: the WanT-2.3.0 (which is fully parallel) is going to be
released soon.
Andrea
> ?
> When I use the disentangle.x code in WanT package, the output file is :
>
> ? ======================================================================
> ????????????? =??????????????????????????????????????????? =
> ????????????? =???? *** WanT *** Wannier Transport Code??? =
> ????????????? =??????? (www.wannier-transport.org)???????? =
> ????????????? =????? Ultra Soft Pseudopotential Implem.??? =
> ????????????? =??????????????????????????????????????????? =
> ? ======================================================================
>
> ? Program <disentangle>? v. 2.1.0? starts ...
> ? Date? 5Apr2010 at 17:39:53
> ???? Parallel run, # proc:??? 8
> ????????? BUILT :??? Thu Apr? 1 20:30:37 2010
> ?????????? HOST :??? x86_64-unknown-linux-gnu
> ?????????? ARCH :??? amd64
> ???????????? CC :??? icc
> ??????????? CPP :??? cpp
> ??????????? F90 :??? mpif90
> ??????????? F77 :??? ifort
> ???????? DFLAGS :??? -D__INTEL -D__FFTW -D__USE_INTERNAL_FFTW -D__MPI -D__PARA
> ????? BLAS LIBS :??? -L/usr/local/intel/cmkl/8.0/lib/em64t -lmkl_em64t
> -lguide -lpthread
> ??? LAPACK LIBS :??? -lmkl_lapack
> ?????? FFT LIBS :???
> ????? MASS LIBS :???
>
> ? DFT-data fmt automaticaly detected: qexml
> -----------------------------------------------------------------------
> ----------------------------------------------------------------------?
> ?
> it stop here have not any other information,and my input file for disentangle
> is :
> ?
>
> &CONTROL
> ?? prefix = '33'
> ?? postfix = '_WanT'
> ?? work_dir = '/home/sdwang/33/'
> ?? verbosity = 'medium'
> ?? wantdata_fmt = 'binary'
> /
> &SUBSPACE
> ?? dimwann = 50????
> ?? win_max = 10.0
> ?? win_min=-15.0
> ?? maxiter_dis = 3000
> /
> &LOCALIZATION
> ?? a_condmin = 20.0
> ?? maxiter0_wan = 1000,
> ?? alpha0_wan = 0.5
> ?? maxiter1_wan = 3000,
> ?? alpha1_wan = 0.5
> ?? ncg = 9?????
> /
> WANNIER_CENTERS {crystal}
> 1gauss????? 0.000000000??? 0.087520000??? 0.101960000??? 0? 0?? 0.5? 1.0
> 1gauss????? 0.101960000??? 0.087520000??? 0.000000000??? 0? 0?? 0.5? 1.0
> 1gauss????? 0.203920000??? 0.087520000??? 0.101960000??? 0? 0?? 0.5? 1.0
> 1gauss????? 0.101960000??? 0.175030000??? 0.101960000??? 0? 0?? 0.5? 1.0
> 1gauss????? 0.000000000??? 0.000000000??? 0.203920000??? 0? 0?? 0.5? 1.0
> 1gauss????? 0.000000000??? 0.087520000??? 0.305870000??? 0? 0?? 0.5? 1.0
> 1gauss????? 0.101960000??? 0.000000000??? 0.305870000??? 0? 0?? 0.5? 1.0
> 1gauss????? 0.101960000??? 0.087520000??? 0.203920000??? 0? 0?? 0.5? 1.0
> 1gauss????? 0.203920000??? 0.000000000??? 0.203920000??? 0? 0?? 0.5? 1.0
> 1gauss????? 0.203920000??? 0.087520000??? 0.305870000??? 0? 0?? 0.5? 1.0
> 1gauss????? 0.305870000??? 0.087520000??? 0.203920000??? 0? 0?? 0.5? 1.0
> 1gauss????? 0.000000000??? 0.175030000??? 0.203920000??? 0? 0?? 0.5? 1.0
> 1gauss????? 0.101960000??? 0.175030000??? 0.305870000??? 0? 0?? 0.5? 1.0
> 1gauss????? 0.101960000??? 0.262550000??? 0.203920000??? 0? 0?? 0.5? 1.0
> 1gauss????? 0.000000000??? 0.820710000??? 0.101960000??? 0? 0?? 0.5? 1.0
> 1gauss????? 0.101960000??? 0.733200000??? 0.101960000??? 0? 0?? 0.5? 1.0
> 1gauss????? 0.101960000??? 0.820710000??? 0.000000000??? 0? 0?? 0.5? 1.0
> 1gauss????? 0.203920000??? 0.820710000??? 0.101960000??? 0? 0?? 0.5? 1.0
> 1gauss????? 0.101960000??? 0.645680000??? 0.203920000??? 0? 0?? 0.5? 1.0
> 1gauss????? 0.000000000??? 0.820710000??? 0.305870000??? 0? 0?? 0.5? 1.0
> 1gauss????? 0.101960000??? 0.733200000??? 0.305870000??? 0? 0?? 0.5? 1.0
> 1gauss????? 0.101960000??? 0.820710000??? 0.203910000??? 0? 0?? 0.5? 1.0
> 1gauss????? 0.203920000??? 0.733200000??? 0.203910000??? 0? 0?? 0.5? 1.0
> 1gauss????? 0.203920000??? 0.820710000??? 0.305870000??? 0? 0?? 0.5? 1.0
> 1gauss????? 0.305870000??? 0.820710000??? 0.203910000??? 0? 0?? 0.5? 1.0
> 1gauss????? 0.101960000??? 0.909530000??? 0.101960000??? 0? 0?? 0.5? 1.0
> 1gauss????? 0.000000000??? 0.909530000??? 0.203920000??? 0? 0?? 0.5? 1.0
> 1gauss????? 0.203920000??? 0.909530000??? 0.203920000??? 0? 0?? 0.5? 1.0
> 1gauss????? 0.104560000??? 0.561910000??? 0.203540000??? 0? 0?? 0.5? 1.0
> 1gauss????? 0.104560000??? 0.346290000??? 0.203540000??? 0? 0?? 0.5? 1.0
> 1gauss????? 0.104560000??? 0.510410000??? 0.203540000??? 0? 0?? 0.5? 1.0
> 1gauss????? 0.104560000??? 0.454100000??? 0.203540000??? 0? 0?? 0.5? 1.0
> 1gauss????? 0.104560000??? 0.397790000??? 0.203540000??? 0? 0?? 0.5? 1.0
> the atoms are 28 Au,2N,3C
> ?
> What is my problem?
> ?
> Thanks in advance!
> ?
> S.D. Wang?
> ?
> Southeast University in Nanjing China.
>
>
--
Andrea Ferretti
Oxford University, Department of Materials
Parks Road, Oxford OX1 3PH, UK
Tel: +44 (0)1865 612796; Skype: andrea_ferretti
URL: http://quasiamore.mit.edu
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