DEPRECATED -- This is the repository of the older versions of TRIQS
License: Other
Start to learn about TRIQS on our website at triqs.github.io.
To install TRIQS, follow the installation instructions at triqs.github.io/triqs/latest/install.html
Before you proceed, make sure you have read the LICENSE.txt file.
Enjoy!
The TRIQS team
Put a slightly higher threshold in pytriqs/Wien2k/SumK_LDA.py to avoid that degenerate bands are considered as different.
During the test step of the installation of TRIQS on Snow Leopard, with Python 2.7.2, the tests 76, 77, and 78 failed. Any idea on what the problem could be? It looks like a problem of DHF5 linking, but I am not sure. In any case the compilation went smooth. The same problem happened also on Lion, with the same libraries, and the same tests failed. Btw, the necessary libraries have been installed via macports.
Michele
Try the simple DMFT test :
program runs, but kernel crashes.
It is due to signal handling, or mpi ??
Hi, everyone.
I still try to get TRIQS installed to a machine with MKL. The mpi compiler is GNU mpic++, g++ and gcc are used as CXX and CC.
From the FindBLAS.Cmake I got that TRIQS actually looks for an "mkl" string in LAPACKLIBS and if it exists, replaces cblas with mkl_cblas etc.
After some playing I got string "You are using mkl" during configuration and finally everything went smooth and I got no errors or warnings during generating CMakeCache.
Here are the lines, that I have put in ccmake (CMakeCache.txt is attached):
LAPACK_64_BIT OFF MKL_INCLUDE_DIR /usr/local/intel/composerxe/2011.7.256/mkl/include LAPACK_LIBRARY /usr/local/intel/composerxe/2011.7.256/mkl/lib/intel64 LAPACK_LIBS /usr/local/intel/composerxe/2011.7.256/mkl/lib/intel64/libmkl_core.so;/usr/local/intel/composerxe/2011.7.256/mkl/lib/intel64/libmkl_intel_ilp64.so; /usr/local/intel/composerxe/2011.7.256/mkl/lib/intel64/libmkl_sequential.so;/usr/local/intel/composerxe/2011.7.256/mkl/lib/intel64/libmkl_gnu_thread.so
CmakeCache - http://gist.github.com/1363901
The problem occurs during linking CXX executable a_x_ty_nopy. The log is in the bottom.
To me it looks like there are some dependencies on pthreads and openmp (libgomp) for GNU case.
There were some more mistakes with linking but they have passed after I included more libraries in LAPACK_LIBS.
So this suggests that some additional flags should be passed when linking. I tried to pass "-fopenmp -lpthread" in CMAKE_MODULE_LINKER_FLAGS but it didn't help.
Thanks for the support!
Build log:
[ 39%] Built target boost_for_triqs Linking CXX shared module mpi.so [ 45%] Built target mpi [ 48%] Built target triqs Linking CXX executable a_x_ty_nopy ../../../../foreignlibs/boost/libboost_for_triqs.so: undefined reference to `gm_destroy_hash' /usr/local/intel/composerxe/2011.7.256/mkl/lib/intel64/libmkl_gnu_thread.so: undefined reference to `omp_get_nested' ../../../../foreignlibs/boost/libboost_for_triqs.so: undefined reference to `gm_provide_receive_buffer' ../../../../foreignlibs/boost/libboost_for_triqs.so: undefined reference to `gm_hash_compare_ptrs' /usr/local/intel/composerxe/2011.7.256/mkl/lib/intel64/libmkl_gnu_thread.so: undefined reference to `GOMP_sections_start' ../../../../foreignlibs/boost/libboost_for_triqs.so: undefined reference to `gm_num_send_tokens' /usr/local/intel/composerxe/2011.7.256/mkl/lib/intel64/libmkl_gnu_thread.so: undefined reference to `GOMP_parallel_start' /usr/local/intel/composerxe/2011.7.256/mkl/lib/intel64/libmkl_gnu_thread.so: undefined reference to `GOMP_ordered_start' /usr/local/intel/composerxe/2011.7.256/mkl/lib/intel64/libmkl_gnu_thread.so: undefined reference to `GOMP_loop_ordered_dynamic_next' ../../../../foreignlibs/boost/libboost_for_triqs.so: undefined reference to `gm_bcopy' ../../../../foreignlibs/boost/libboost_for_triqs.so: undefined reference to `gm_get_node_id' /usr/local/intel/composerxe/2011.7.256/mkl/lib/intel64/libmkl_gnu_thread.so: undefined reference to `GOMP_atomic_end' /usr/local/intel/composerxe/2011.7.256/mkl/lib/intel64/libmkl_gnu_thread.so: undefined reference to `GOMP_single_start' ../../../../foreignlibs/boost/libboost_for_triqs.so: undefined reference to `gm_set_acceptable_sizes' /usr/local/intel/composerxe/2011.7.256/mkl/lib/intel64/libmkl_gnu_thread.so: undefined reference to `GOMP_critical_start' /usr/local/intel/composerxe/2011.7.256/mkl/lib/intel64/libmkl_gnu_thread.so: undefined reference to `GOMP_critical_name_end' ../../../../foreignlibs/boost/libboost_for_triqs.so: undefined reference to `gm_open' ../../../../foreignlibs/boost/libboost_for_triqs.so: undefined reference to `gm_crc' ../../../../foreignlibs/boost/libboost_for_triqs.so: undefined reference to `gm_hash_hash_ptr' ../../../../foreignlibs/boost/libboost_for_triqs.so: undefined reference to `gm_blocking_receive_no_spin' ../../../../foreignlibs/boost/libboost_for_triqs.so: undefined reference to `gm_create_hash' ../../../../foreignlibs/boost/libboost_for_triqs.so: undefined reference to `gm_close' ../../../../foreignlibs/boost/libboost_for_triqs.so: undefined reference to `gm_deregister_memory' /usr/local/intel/composerxe/2011.7.256/mkl/lib/intel64/libmkl_gnu_thread.so: undefined reference to `GOMP_loop_end' /usr/local/intel/composerxe/2011.7.256/mkl/lib/intel64/libmkl_gnu_thread.so: undefined reference to `GOMP_loop_ordered_static_next' /usr/local/intel/composerxe/2011.7.256/mkl/lib/intel64/libmkl_gnu_thread.so: undefined reference to `GOMP_barrier' ../../../../foreignlibs/boost/libboost_for_triqs.so: undefined reference to `gm_dma_free' ../../../../foreignlibs/boost/libboost_for_triqs.so: undefined reference to `gm_drop_sends' /usr/local/intel/composerxe/2011.7.256/mkl/lib/intel64/libmkl_gnu_thread.so: undefined reference to `GOMP_atomic_start' /usr/local/intel/composerxe/2011.7.256/mkl/lib/intel64/libmkl_gnu_thread.so: undefined reference to `GOMP_loop_dynamic_start' /usr/local/intel/composerxe/2011.7.256/mkl/lib/intel64/libmkl_gnu_thread.so: undefined reference to `omp_get_num_procs' ../../../../foreignlibs/boost/libboost_for_triqs.so: undefined reference to `gm_directed_send_with_callback' ../../../../foreignlibs/boost/libboost_for_triqs.so: undefined reference to `gm_num_receive_tokens' /usr/local/intel/composerxe/2011.7.256/mkl/lib/intel64/libmkl_gnu_thread.so: undefined reference to `GOMP_critical_end' ../../../../foreignlibs/boost/libboost_for_triqs.so: undefined reference to `gm_hash_remove' ../../../../foreignlibs/boost/libboost_for_triqs.so: undefined reference to `gm_dma_malloc' ../../../../foreignlibs/boost/libboost_for_triqs.so: undefined reference to `gm_node_id_to_host_name' /usr/local/intel/composerxe/2011.7.256/mkl/lib/intel64/libmkl_gnu_thread.so: undefined reference to `omp_get_max_threads' ../../../../foreignlibs/boost/libboost_for_triqs.so: undefined reference to `gm_unknown' ../../../../foreignlibs/boost/libboost_for_triqs.so: undefined reference to `gm_create_lookaside' ../../../../foreignlibs/boost/libboost_for_triqs.so: undefined reference to `gm_get_host_name' ../../../../foreignlibs/boost/libboost_for_triqs.so: undefined reference to `gm_allow_remote_memory_access' ../../../../foreignlibs/boost/libboost_for_triqs.so: undefined reference to `gm_strerror' /usr/local/intel/composerxe/2011.7.256/mkl/lib/intel64/libmkl_gnu_thread.so: undefined reference to `GOMP_loop_ordered_dynamic_start' ../../../../foreignlibs/boost/libboost_for_triqs.so: undefined reference to `gm_hash_insert' ../../../../foreignlibs/boost/libboost_for_triqs.so: undefined reference to `_gm_assertion_failed' ../../../../foreignlibs/boost/libboost_for_triqs.so: undefined reference to `gm_blocking_receive' ../../../../foreignlibs/boost/libboost_for_triqs.so: undefined reference to `gm_bzero' /usr/local/intel/composerxe/2011.7.256/mkl/lib/intel64/libmkl_gnu_thread.so: undefined reference to `omp_set_nested' /usr/local/intel/composerxe/2011.7.256/mkl/lib/intel64/libmkl_gnu_thread.so: undefined reference to `GOMP_sections_end_nowait' /usr/local/intel/composerxe/2011.7.256/mkl/lib/intel64/libmkl_gnu_thread.so: undefined reference to `GOMP_ordered_end' /usr/local/intel/composerxe/2011.7.256/mkl/lib/intel64/libmkl_gnu_thread.so: undefined reference to `omp_in_parallel' /usr/local/intel/composerxe/2011.7.256/mkl/lib/intel64/libmkl_gnu_thread.so: undefined reference to `GOMP_critical_name_start' /usr/local/intel/composerxe/2011.7.256/mkl/lib/intel64/libmkl_gnu_thread.so: undefined reference to `GOMP_loop_end_nowait' /usr/local/intel/composerxe/2011.7.256/mkl/lib/intel64/libmkl_gnu_thread.so: undefined reference to `GOMP_loop_ordered_static_start' ../../../../foreignlibs/boost/libboost_for_triqs.so: undefined reference to `gm_lookaside_free' ../../../../foreignlibs/boost/libboost_for_triqs.so: undefined reference to `gm_perror' ../../../../foreignlibs/boost/libboost_for_triqs.so: undefined reference to `gm_provide_receive_buffer_with_tag' ../../../../foreignlibs/boost/libboost_for_triqs.so: undefined reference to `gm_hash_find' /usr/local/intel/composerxe/2011.7.256/mkl/lib/intel64/libmkl_gnu_thread.so: undefined reference to `omp_get_thread_num' ../../../../foreignlibs/boost/libboost_for_triqs.so: undefined reference to `gm_destroy_lookaside' /usr/local/intel/composerxe/2011.7.256/mkl/lib/intel64/libmkl_gnu_thread.so: undefined reference to `GOMP_loop_dynamic_next' /usr/local/intel/composerxe/2011.7.256/mkl/lib/intel64/libmkl_gnu_thread.so: undefined reference to `GOMP_sections_next' /usr/local/intel/composerxe/2011.7.256/mkl/lib/intel64/libmkl_gnu_thread.so: undefined reference to `GOMP_parallel_end' ../../../../foreignlibs/boost/libboost_for_triqs.so: undefined reference to `gm_lookaside_alloc' ../../../../foreignlibs/boost/libboost_for_triqs.so: undefined reference to `GM_PAGE_LEN' ../../../../foreignlibs/boost/libboost_for_triqs.so: undefined reference to `gm_receive' /usr/local/intel/composerxe/2011.7.256/mkl/lib/intel64/libmkl_gnu_thread.so: undefined reference to `omp_get_num_threads' ../../../../foreignlibs/boost/libboost_for_triqs.so: undefined reference to `gm_node_id_to_unique_id' ../../../../foreignlibs/boost/libboost_for_triqs.so: undefined reference to `gm_send_with_callback' ../../../../foreignlibs/boost/libboost_for_triqs.so: undefined reference to `gm_register_memory' ../../../../foreignlibs/boost/libboost_for_triqs.so: undefined reference to `gm_host_name_to_node_id' ../../../../foreignlibs/boost/libboost_for_triqs.so: undefined reference to `gm_unique_id_to_node_id' /usr/local/intel/composerxe/2011.7.256/mkl/lib/intel64/libmkl_gnu_thread.so: undefined reference to `GOMP_parallel_sections_start' collect2: ld returned 1 exit status make[2]: *** [triqs/arrays/test/C++/a_x_ty_nopy] Error 1 make[1]: *** [triqs/arrays/test/C++/CMakeFiles/a_x_ty_nopy.dir/all] Error 2 make: *** [all] Error 2
and check the other cerr....
After installing EPD(ENTHOUGHT PYTHON DISTRIBUTION) successfully , I get the following errors during the process of compiling
(using cmake /home/mlj/codes/triqs/sources/ -DBOOST_SOURCE_DIR=/home/mlj/codes/triqs/boost/ in triqs_build directory ;System : Linux- Fedora 16 ,4-core PC)
-- Installation directory is /home/mlj/codes/triqs/triqs_build/INSTALL_DIR
-- DYNAMIC Built
-- CMAKE_GENERATOR: Unix Makefiles
-- CMAKE_CL_64:
-- CMAKE_SIZEOF_VOID_P: 8
-- CMAKE_GENERATOR: Unix Makefiles
-- CMAKE_CL_64:
-- Build type: Release
-- MPI compiler was /opt/mpich2/bin/mpicxx
-- Falling back to CMake provied LAPACK/BLAS detection.
-- A library with BLAS API found.
-- A library with BLAS API found.
-- A library with LAPACK API found.
-- Python interpreter /opt/epd/epd-7.2-2-rh5-x86_64/bin/python
-- Python interpreter ok : version 2.7.2
-- PYTHON_INCLUDE_DIRS = /opt/epd/epd-7.2-2-rh5-x86_64/include/python2.7
-- PYTHON_NUMPY_INCLUDE_DIR = /opt/epd/epd-7.2-2-rh5-x86_64/lib/python2.7/site-packages/numpy/core/include
-- PYTHON_SITE_PKG = /opt/epd/epd-7.2-2-rh5-x86_64/lib/python2.7/site-packages
-- PYTHON_LIBRARY = /opt/epd/epd-7.2-2-rh5-x86_64/lib/python2.7/config/libpython2.7.a
-- PYTHON_EXTRA_LIBS =-lpthread -ldl -lutil
-- PYTHON_LINK_FOR_SHARED = -Xlinker -export-dynamic
-- Numpy include in /opt/epd/epd-7.2-2-rh5-x86_64/lib/python2.7/site-packages/numpy/core/include
-- HDF5_LIBRARIES = debug;/usr/lib64/libhdf5_hl.so;/usr/lib64/libhdf5.so;/usr/lib64/libz.so;/usr/lib64/libmd.so;/usr/lib64/libhdf5_cpp.so;optimized;/usr/lib64/libhdf5_hl.so;/usr/lib64/libhdf5.so;/usr/lib64/libz.so;/usr/lib64/libm.so;/usr/lib64/libhdf5_cpp.so
-- Triqs general lib detection ( but boost )
-- Adding definitions -D_LARGEFILE_SOURCE;-D_LARGEFILE64_SOURCE;-D_BSD_SOURCE;-D_FORTIFY_SOURCE=2
-- Adding include /opt/mpich2/include;/usr/include;/opt/epd/epd-7.2-2-rh5-x86_64/include/python2.7;/opt/epd/epd-7.2-2-rh5-x86_64/lib/python2.7/site-packages/numpy/core/include
-- Adding libs /opt/mpich2/lib/libmpichcxx.a;/opt/mpich2/lib/libmpich.a;/opt/mpich2/lib/libopa.a;/opt/mpich2/lib/libmpl.a;/usr/lib64/librt.so;/usr/lib64/libpthread.so;/usr/lib64/liblapack.so;/usr/lib64/libblas.so;/usr/lib64/libpthread.so;debug;/usr/lib64/libhdf5_hl.so;/usr/lib64/libhdf5.so;/usr/lib64/libz.so;/usr/lib64/libmd.so;/usr/lib64/libhdf5_cpp.so;optimized;/usr/lib64/libhdf5_hl.so;/usr/lib64/libhdf5.so;/usr/lib64/libz.so;/usr/lib64/libm.so;/usr/lib64/libhdf5_cpp.so;/opt/epd/epd-7.2-2-rh5-x86_64/lib/python2.7/config/libpython2.7.a
-- Adding library dir
-- Python modules will be installed in /home/mlj/codes/triqs/triqs_build/INSTALL_DIR/lib/python2.7/site-packages/pytriqs
-- I am using boost sources from /home/mlj/codes/triqs/boost/ to compile a mini boost_for_triqs
-- BOOST_INCLUDE_DIR = /home/mlj/codes/triqs/boost/
-- You are not using mkl
CMake Error at cmake/FindCBLAS.cmake:42 (MESSAGE):
I can not find cblas !
Call Stack (most recent call first):
CMakeLists.txt:66 (find_package)
I can not find cblas !!! Actually I find cblas.a or libcblas.a in directory /lib/ .
Please help me. Thanks.
Hi,
Whenever I try to read a Green's function from a HDF5 file, I get the following error (the following excerpt is taken from the tutorial on HDF5):
>>> R = HDF_Archive('myfile.h5','r')
>>> R
HDF_Archive (partial view) with the following content:
g1 : subgroup
mu : Data
>>> G = R['g1']
Traceback (most recent call last):
File "<stdin>", line 1, in <module>
File "/Library/Python/2.6/site-packages/pytriqs/Base/Archive/HDF_Archive.py", line 237, in __getitem__
return self.__getitem1__(key,self._reconstruct_python_objects)
File "/Library/Python/2.6/site-packages/pytriqs/Base/Archive/HDF_Archive.py", line 281, in __getitem1__
res = r_class.__factory_from_dict__(values)
File "/Library/Python/2.6/site-packages/pytriqs/Base/GF_Local/_GFBloc_base_data_tail.py", line 112, in
__factory_from_dict__
return CLS(**value)
TypeError: __init__() keywords must be strings
Do you know where this could come from?
Thanks for your answer,
Thomas
The installation fails at the cmake stage.
cmake TRIQS -D_BOOST_SOURCE_DIR=/mydir/boost_1_47_0
yields the following error:
Traceback (most recent call last):
File "<string>", line 1, in <module>
ImportError: No module named boost
CMake Error at cmake/FindPython.cmake:78 (MESSAGE):
The script : import boost; print boost.__path__[0]
did not run properly in the Python interpreter. Check your python installation.
Python 2.6 (and 2.7) is installed, boost 1.47.0 is untarred in the indicated directory (OS: MacOSX 10.6.8). I guess I should tell Python where to find the boost module, but so far I haven't found how I could do this. It seems strange that Python should "know" about boost since the installation instructions require that boost sources be only untarred somewhere...
Do you have any idea how to solve this issue?
Thanks
Thomas
Our CentOS based environment has cmake-2.8.6, gcc 4.5, szip 2.1, HDF-1.8.7, and FFTW-3.2.2.
When we follow the directions at (including downloading boost): http://ipht.cea.fr/triqs/doc/user_manual/install/install.html
We get:
/opt/src/triqs_build# cmake /opt/src/triqs_sources -DBOOST_SOURCE_DIR=/opt/src/boost_src/ -DCMAKE_INSTALL_PREFIX=/share/apps/triqs-0.8/gcc/4.5
-- Installation directory is /share/apps/triqs-0.8/gcc/4.5
-- DYNAMIC Built
-- CMAKE_GENERATOR: Unix Makefiles
-- CMAKE_CL_64:
-- CMAKE_SIZEOF_VOID_P: 8
-- CMAKE_GENERATOR: Unix Makefiles
-- CMAKE_CL_64:
-- Build type: Release
-- MPI compiler was /share/apps/openmpi14-1.4.1/gcc/4.5/bin/mpicxx
-- Falling back to CMake provied LAPACK/BLAS detection.
-- A library with BLAS API found.
-- A library with BLAS API found.
-- A library with LAPACK API found.
-- Could NOT find FFTW (missing: FFTW_LIBRARIES FFTW_INCLUDE_DIR)
CMake Error at /usr/local/share/cmake-2.8/Modules/FindPackageHandleStandardArgs.cmake:91 (MESSAGE):
Could NOT find HDF5 (missing: HDF5_LIBRARIES HDF5_INCLUDE_DIR)
Call Stack (most recent call first):
/usr/local/share/cmake-2.8/Modules/FindPackageHandleStandardArgs.cmake:252 (_FPHSA_FAILURE_MESSAGE)
cmake/FindHDF5.cmake:450 (find_package_handle_standard_args)
cmake/FindTRIQS_dep_libs.cmake:160 (find_package)
CMakeLists.txt:39 (find_package)
From looking at the source it looks like setting HDF5_ROOT should let it find our HDF5:
/opt/src/triqs_build# ls $HDF5_ROOT $HDF5_ROOT/bin $HDF5_ROOT/lib
/share/apps/hdf5cse-1.8.7/gcc/4.5:
bin include lib share
/share/apps/hdf5cse-1.8.7/gcc/4.5/bin:
gif2h5 h5debug h5import h5mkgrp h5perf_serial h5repack h5unjam
h52gif h5diff h5jam h5pcc h5pfc h5repart ph5diff
h5copy h5dump h5ls h5perf h5redeploy h5stat
/share/apps/hdf5cse-1.8.7/gcc/4.5/lib:
libhdf5.a libhdf5hl_fortran.a libhdf5_hl.so.7
libhdf5_fortran.a libhdf5hl_fortran.la libhdf5_hl.so.7.0.1
libhdf5_fortran.la libhdf5hl_fortran.so libhdf5.la
libhdf5_fortran.so libhdf5hl_fortran.so.7 libhdf5.settings
libhdf5_fortran.so.7 libhdf5hl_fortran.so.7.0.1 libhdf5.so
libhdf5_fortran.so.7.0.1 libhdf5_hl.la libhdf5.so.7
libhdf5_hl.a libhdf5_hl.so libhdf5.so.7.0.1
tribe:/opt/src/bill/triqs_build#
I also tried setting FFTW_LIBRARIES FFTW_INCLUDE_DIR
HDF5_LIBRARIES and HDF5_INCLUDE_DIR without success.
/opt/src/bill/triqs_build# ls /share/apps/fftw-3.2.2/gcc/4.5/ /share/apps/fftw-3.2.2/gcc/4.5/include/ /share/apps/fftw-3.2.2/gcc/4.5/bin
/share/apps/fftw-3.2.2/gcc/4.5/:
bin include lib share
/share/apps/fftw-3.2.2/gcc/4.5/bin:
fftwl-wisdom fftw-wisdom fftw-wisdom-to-conf
/share/apps/fftw-3.2.2/gcc/4.5/include/:
fftw3.f fftw3.h
tribe:/opt/src/bill/triqs_build#
How can I get triqs to look in /share/apps/hdf5cse-1.8.7/gcc/4.5 and /share/apps/fftw-3.2.2/gcc/4.5?
The HDF_Root documentation is in:
cmake-2.8/Modules/FindHDF5.cmake
Around like 21:
Hi!
I'm trying to install triqs on a OS X 10.6.8 system using macports installations for all of the dependencies except boost. I'm having problems with these tests failing,
bash-3.2$ cat LastTestsFailed.log
73:test_converter
82:SingleSiteBethe
83:CDMFT_4_sites-v2
where test_converter runs but produces unexpected output and SingleSiteBethe and CDMFT_4_sites-v2 crashes seemingly somewhere in _pytriqs_Solver_HybridizationExpansion.so.
Any clues to what I'm doing wrong is much appreciated.
Cheers / Hugo
ps. cmake configuration and test output are appended below ds.
CMAKE_LIBRARY_PATH=/opt/local/lib \
CMAKE_INCLUDE_PATH=/opt/local/lib \
Hdf5_INCLUDE_DIRS=/opt/local/include \
HDF5_LIBRARY_DIRS=/opt/local/lib \
cmake ../TRIQS-TRIQS-775c5fd/ \
-DBOOST_SOURCE_DIR=/Users/hugstr/src/triqs/boost_1_47_0 \
-DCMAKE_INSTALL_PREFIX=~/apps/triq_v0.8 \
-DMPI_CXX_COMPILER=openmpicxx \
-DMPI_C_COMPILER=openmpicc \
-DMPI_Fortran_COMPILER=openmpif90 \
test_converterThe test_converter faliure seems to be caused by some part of the compiled code not printing what it used to, while the python code is still printing. Here is a diff of the expected and produced output.
bash-3.2$ diff --side-by-side test_converter.output /Users/hugstr/src/triqs/triqs_build/pytriqs/Tools/test/test_converter_output
1, 2, 3, 4, --0 0 1 <
--0 1 2 <
--0 2 3 <
--0 3 4 <
--1 0 10 <
--1 1 20 <
[2.0, 2.0, 2.0, 2.0, 2.0, 2.0, 2.0, 2.0, 2.0, 2.0] [2.0, 2.0, 2.0, 2.0, 2.0, 2.0, 2.0, 2.0, 2.0, 2.0]
[[2.0, 2.0, 2.0, 2.0], [2.0, 2.0, 2.0, 2.0], [2.0, 2.0, 2.0, [[2.0, 2.0, 2.0, 2.0], [2.0, 2.0, 2.0, 2.0], [2.0, 2.0, 2.0,
a --- > 12 <
b --- > 102 <
g2 {'a': 10, 'b': 28} g2 {'a': 10, 'b': 28}
g3 {'a': [10, 10, 10], 'b': [28, 28]} g3 {'a': [10, 10, 10], 'b': [28, 28]}
([2.5, 2.5, 2.5, 2.5, 2.5], [6, 6, 6]) ([2.5, 2.5, 2.5, 2.5, 2.5], [6, 6, 6])
2, 2, 2, 2, 2, <
6, 6, 6, <
<
p3 = ([4.5, 4.5, 4.5, 4.5, 4.5], [-9, -9, -9]) p3 = ([4.5, 4.5, 4.5, 4.5, 4.5], [-9, -9, -9])
a1 = (array([ 1., 1., 1.]), array([ 3., 3.])) a1 = (array([ 1., 1., 1.]), array([ 3., 3.]))
and there seems to be nothing printed to stderr as test_converter_output.err is empty.
SingleSiteBetheSeems to crash in _pytriqs_Solver_HybridizationExpansion.so according to the backtrace:
Starting on 1 Nodes at : 2011-11-11 09:32:17.196552
/Users/hugstr/src/triqs/triqs_build/pytriqs/Base/DMFT/Loop_Generic.py:62: DeprecationWarning: The class myloop is deprecated and scheduled for removal in later version of TRIQS. Please upgrade your code (write your own loop)
warnings.warn("The class %s is deprecated and scheduled for removal in later version of TRIQS. Please upgrade your code (write your own loop)"%(self.__class__.__name__), DeprecationWarning)
------ Node : 0 -------- Iteration Number = 1
Optional parameters defined to their default values:
*Global_Moves -> []
Description :
A list of global moves
*Fitting_Frequency_Start -> 50
Description :
Frequency at which the fit starts
*Record_Statistics_Configurations -> False
Description :
(Expert only) Get the kink length statistics
*Quantum_Numbers_Selection -> <function <lambda> at 0x10380c8c0>
Description :
(Prototype) A function to select quantum numbers
*Use_F -> False
Description :
(Expert only) Compute F
*Nmax_Matrix -> 100
Description :
Initial size of the determinant matrices
*Keep_Full_MC_Series -> False
Description :
(Expert only) Store the Green's function for later analysis
*Measured_Operators -> {}
Description :
A dict of operators that will be averaged
*N_Frequencies_Accumulated -> 100
Description :
Number of frequencies to accumulate
*Time_Accumulation -> False
Description :
Do we accumulate in imaginary-time?
*Random_Seed -> 34788
Description :
Seed for the random generator
*Eta -> 0.0
Description :
(Expert only) Value of eta, the minimum value of the det
*Legendre_Accumulation -> True
Description :
Do we accumulate in legendre?
*Proba_Move -> 1.0
Description :
Probability to move operators
*Proba_Insert_Remove -> 1.0
Description :
Probability to insert/remove operators
*Measured_Time_Correlators -> {}
Description :
A dict of operators, whose time correlations are to be measured
------------------------------------------------
Hamiltonian with Eps0 term :
2.5 C^(up,1)C(up,1)C^(down,1)C(down,1) - 1.25 C^(up,1)C(up,1) - 1.25 C^(down,1)C(down,1)
Inv Fourier done
Traceback (most recent call last):
File "/Users/hugstr/src/triqs/TRIQS-TRIQS-775c5fd/pytriqs/Solvers/HybridizationExpansion/test/SingleSiteBethe.py", line 83, in <module>
myloop(Solver_List = S).run(N_Loops = 1)
File "/Users/hugstr/src/triqs/triqs_build/pytriqs/Base/DMFT/Loop_Generic.py", line 134, in run
sol.Solve()
File "/Users/hugstr/src/triqs/triqs_build/pytriqs/Solvers/HybridizationExpansion/__init__.py", line 294, in Solve
C_Module.MC_solve(self.__dict__ ) # C++ solver
RuntimeError: Triqs runtime error at /Users/hugstr/src/triqs/TRIQS-TRIQS-775c5fd/pytriqs/Solvers/HybridizationExpansion/C++/util.hpp :
Trace is :
1 _pytriqs_Solver_HybridizationExpansion.so 0x0000000103b044fc triqs::mc_tools::histogram_binned& OP_Tools::map_insert_check<std::string, triqs::mc_tools::histogram_binned, std::map<std::string, triqs::mc_tools::histogram_binned, std::less<std::string>, std::allocator<std::pair<std::string const, triqs::mc_tools::histogram_binned> > > >(std::map<std::string, triqs::mc_tools::histogram_binned, std::less<std::string>, std::allocator<std::pair<std::string const, triqs::mc_tools::histogram_binned> > >&, std::string const&, triqs::mc_tools::histogram_binned const&) 972
2 _pytriqs_Solver_HybridizationExpansion.so 0x0000000103b049ec Insert_Cdag_C_Delta_SegmentPicture::Insert_Cdag_C_Delta_SegmentPicture(int, Configuration&, std::map<std::string, triqs::mc_tools::histogram_binned, std::less<std::string>, std::allocator<std::pair<std::string const, triqs::mc_tools::histogram_binned> > >&, triqs::mc_tools::polymorphic_random_generator&) 492
3 _pytriqs_Solver_HybridizationExpansion.so 0x0000000103af73d2 MC_Hybridization_Matsubara::MC_Hybridization_Matsubara(triqs::python_tools::improved_python_dict const&, unsigned long) 3618
4 _pytriqs_Solver_HybridizationExpansion.so 0x0000000103afa690 MC_Hybridization_Matsu::solve(boost::python::api::object) 208
5 _pytriqs_Solver_HybridizationExpansion.so 0x0000000103b15112 boost::python::objects::caller_py_function_impl<boost::python::detail::caller<void (*)(boost::python::api::object), boost::python::default_call_policies, boost::mpl::vector2<void, boost::python::api::object> > >::operator()(_object*, _object*) 34
6 libboost_for_triqs.dylib 0x0000000102bc4d7c boost::python::objects::function::call(_object*, _object*) const 716
7 libboost_for_triqs.dylib 0x0000000102bc5010 boost::detail::function::void_function_ref_invoker0<boost::python::objects::(anonymous namespace)::bind_return>::invoke(boost::detail::function::function_buffer&) 32
8 libboost_for_triqs.dylib 0x0000000102bae3b3 boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const 67
9 _pytriqs_Solver_HybridizationExpansion.so 0x0000000103b14b8b boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<H5::Exception (*)(H5::Exception const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(H5::Exception const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) 27
10 libboost_for_triqs.dylib 0x0000000102bae398 boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const 40
11 mpi.so 0x00000001033d6127 boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<boost::mpi::python::object_without_skeleton, boost::mpi::python::translate_exception<boost::mpi::python::object_without_skeleton> >, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<boost::mpi::python::translate_exception<boost::mpi::python::object_without_skeleton> > > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) 23
12 libboost_for_triqs.dylib 0x0000000102bae398 boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const 40
13 mpi.so 0x00000001033cd9a7 boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<boost::mpi::exception, boost::mpi::python::translate_exception<boost::mpi::exception> >, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<boost::mpi::python::translate_exception<boost::mpi::exception> > > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) 23
14 libboost_for_triqs.dylib 0x0000000102bae398 boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const 40
15 _pytriqs_GF.so 0x00000001027d7f5b boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<std::string (*)(std::string const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(std::string const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) 27
16 libboost_for_triqs.dylib 0x0000000102bae17b boost::python::handle_exception_impl(boost::function0<void>) 43
17 libboost_for_triqs.dylib 0x0000000102bc6ce0 function_call 80
18 Python 0x000000010000b902 PyObject_Call 98
19 Python 0x00000001000b4fee PyEval_EvalFrameEx 12990
20 Python 0x00000001000b9af5 PyEval_EvalCodeEx 2197
21 Python 0x00000001000b7a8d PyEval_EvalFrameEx 23901
22 Python 0x00000001000b9af5 PyEval_EvalCodeEx 2197
23 Python 0x00000001000b7a8d PyEval_EvalFrameEx 23901
24 Python 0x00000001000b9af5 PyEval_EvalCodeEx 2197
25 Python 0x00000001000b9c16 PyEval_EvalCode 54
26 Python 0x00000001000dea6e PyRun_FileExFlags 174
27 Python 0x00000001000ded29 PyRun_SimpleFileExFlags 489
28 Python 0x00000001000ee40c Py_Main 2764
29 Python 0x0000000100000f14 0x0 4294971156
map_insert_check : key 'Insert_Cdagger_C_SegmentPicture___histo_proposed' is already present
CDMFT_4_sites-v2Crashes in a way similar to SingleSiteBethe here is the output/trace:
Starting on 1 Nodes at : 2011-11-11 09:39:32.701854
Units =
[[/Users/hugstr/src/triqs/triqs_build/pytriqs/Base/DMFT/Loop_Generic.py:62: DeprecationWarning: The class myloop is deprecated and scheduled for removal in later version of TRIQS. Please upgrade your code (write your own loop)
warnings.warn("The class %s is deprecated and scheduled for removal in later version of TRIQS. Please upgrade your code (write your own loop)"%(self.__class__.__name__), DeprecationWarning)
------ Node : 0 -------- Iteration Number = 1
Total density = 1.000
Optional parameters defined to their default values:
*Global_Moves -> []
Description :
A list of global moves
*Fitting_Frequency_Start -> 50
Description :
Frequency at which the fit starts
*Record_Statistics_Configurations -> False
Description :
(Expert only) Get the kink length statistics
*Quantum_Numbers_Selection -> <function <lambda> at 0x103a47050>
Description :
(Prototype) A function to select quantum numbers
*Use_F -> False
Description :
(Expert only) Compute F
*Random_Generator_Name ->
Description :
Name of the random number generator
*Nmax_Matrix -> 100
Description :
Initial size of the determinant matrices
*Keep_Full_MC_Series -> False
Description :
(Expert only) Store the Green's function for later analysis
*Use_Segment_Picture -> False
Description :
Guarantee is made that the C^+ C alternate in each config
*Measured_Operators -> {}
Description :
A dict of operators that will be averaged
*N_Time_Slices_Gtau -> 10000
Description :
Number of times slices in G_tau
*N_Frequencies_Accumulated -> 100
Description :
Number of frequencies to accumulate
*Time_Accumulation -> False
Description :
Do we accumulate in imaginary-time?
*Random_Seed -> 34788
Description :
Seed for the random generator
*Eta -> 0.0
Description :
(Expert only) Value of eta, the minimum value of the det
*Legendre_Accumulation -> True
Description :
Do we accumulate in legendre?
*Proba_Move -> 1.0
Description :
Probability to move operators
*N_Time_Slices_Delta -> 10000
Description :
Number of times slices in Delta
*Proba_Insert_Remove -> 1.0
Description :
Probability to insert/remove operators
*Measured_Time_Correlators -> {}
Description :
A dict of operators, whose time correlations are to be measured
------------------------------------------------
Hamiltonian with Eps0 term :
((1+0j)) C^(+1-up,1)C(+1-up,1)C^(+1-down,1)C(+1-down,1) + ((1+0j)) C^(+1-up,1)C(+1-up,1)C^(-1-down,1)C(-1-down,1) + ((1+0j)) C^(+1-up,1)C(+1-up,1)C^(+i-down,1)C(+i-down,1) + ((1+0j)) C^(+1-up,1)C(+1-up,1)C^(-i-down,1)C(-i-down,1) + ((1+0j)) C^(+1-up,1)C(-1-up,1)C^(+1-down,1)C(-1-down,1) + ((1+0j)) C^(+1-up,1)C(-1-up,1)C^(+i-down,1)C(-i-down,1) + ((-1+0j)) C^(+1-up,1)C(-1-up,1)C(+1-down,1)C^(-1-down,1) + ((-1+0j)) C^(+1-up,1)C(-1-up,1)C(+i-down,1)C^(-i-down,1) + ((1+0j)) C^(+1-up,1)C(+i-up,1)C^(+1-down,1)C(-i-down,1) + ((1+0j)) C^(+1-up,1)C(+i-up,1)C^(-1-down,1)C(+i-down,1) + ((-1+0j)) C^(+1-up,1)C(+i-up,1)C(+1-down,1)C^(+i-down,1) + ((-1+0j)) C^(+1-up,1)C(+i-up,1)C(-1-down,1)C^(-i-down,1) + ((1+0j)) C^(+1-up,1)C(-i-up,1)C^(+1-down,1)C(+i-down,1) + ((1+0j)) C^(+1-up,1)C(-i-up,1)C^(-1-down,1)C(-i-down,1) + ((-1+0j)) C^(+1-up,1)C(-i-up,1)C(-1-down,1)C^(+i-down,1) + ((-1+0j)) C^(+1-up,1)C(-i-up,1)C(+1-down,1)C^(-i-down,1) + ((1+0j)) C^(-1-up,1)C(-1-up,1)C^(+1-down,1)C(+1-down,1) + ((1+0j)) C^(-1-up,1)C(-1-up,1)C^(-1-down,1)C(-1-down,1) + ((1+0j)) C^(-1-up,1)C(-1-up,1)C^(+i-down,1)C(+i-down,1) + ((1+0j)) C^(-1-up,1)C(-1-up,1)C^(-i-down,1)C(-i-down,1) + ((1+0j)) C^(-1-up,1)C(+i-up,1)C^(+1-down,1)C(+i-down,1) + ((1+0j)) C^(-1-up,1)C(+i-up,1)C^(-1-down,1)C(-i-down,1) + ((-1+0j)) C^(-1-up,1)C(+i-up,1)C(-1-down,1)C^(+i-down,1) + ((-1+0j)) C^(-1-up,1)C(+i-up,1)C(+1-down,1)C^(-i-down,1) + ((1+0j)) C^(-1-up,1)C(-i-up,1)C^(+1-down,1)C(-i-down,1) + ((1+0j)) C^(-1-up,1)C(-i-up,1)C^(-1-down,1)C(+i-down,1) + ((-1+0j)) C^(-1-up,1)C(-i-up,1)C(+1-down,1)C^(+i-down,1) + ((-1+0j)) C^(-1-up,1)C(-i-up,1)C(-1-down,1)C^(-i-down,1) + ((1+0j)) C^(+i-up,1)C(+i-up,1)C^(+1-down,1)C(+1-down,1) + ((1+0j)) C^(+i-up,1)C(+i-up,1)C^(-1-down,1)C(-1-down,1) + ((1+0j)) C^(+i-up,1)C(+i-up,1)C^(+i-down,1)C(+i-down,1) + ((1+0j)) C^(+i-up,1)C(+i-up,1)C^(-i-down,1)C(-i-down,1) + ((1+0j)) C^(+i-up,1)C(-i-up,1)C^(+1-down,1)C(-1-down,1) + ((1+0j)) C^(+i-up,1)C(-i-up,1)C^(+i-down,1)C(-i-down,1) + ((-1+0j)) C^(+i-up,1)C(-i-up,1)C(+1-down,1)C^(-1-down,1) + ((-1+0j)) C^(+i-up,1)C(-i-up,1)C(+i-down,1)C^(-i-down,1) + ((1+0j)) C^(-i-up,1)C(-i-up,1)C^(+1-down,1)C(+1-down,1) + ((1+0j)) C^(-i-up,1)C(-i-up,1)C^(-1-down,1)C(-1-down,1) + ((1+0j)) C^(-i-up,1)C(-i-up,1)C^(+i-down,1)C(+i-down,1) + ((1+0j)) C^(-i-up,1)C(-i-up,1)C^(-i-down,1)C(-i-down,1) + ((-1+0j)) C(+1-up,1)C^(-1-up,1)C^(+1-down,1)C(-1-down,1) + ((-1+0j)) C(+1-up,1)C^(-1-up,1)C^(+i-down,1)C(-i-down,1) + ((1+0j)) C(+1-up,1)C^(-1-up,1)C(+1-down,1)C^(-1-down,1) + ((1+0j)) C(+1-up,1)C^(-1-up,1)C(+i-down,1)C^(-i-down,1) + ((-1+0j)) C(+1-up,1)C^(+i-up,1)C^(+1-down,1)C(+i-down,1) + ((-1+0j)) C(+1-up,1)C^(+i-up,1)C^(-1-down,1)C(-i-down,1) + ((1+0j)) C(+1-up,1)C^(+i-up,1)C(-1-down,1)C^(+i-down,1) + ((1+0j)) C(+1-up,1)C^(+i-up,1)C(+1-down,1)C^(-i-down,1) + ((-1+0j)) C(-1-up,1)C^(+i-up,1)C^(+1-down,1)C(-i-down,1) + ((-1+0j)) C(-1-up,1)C^(+i-up,1)C^(-1-down,1)C(+i-down,1) + ((1+0j)) C(-1-up,1)C^(+i-up,1)C(+1-down,1)C^(+i-down,1) + ((1+0j)) C(-1-up,1)C^(+i-up,1)C(-1-down,1)C^(-i-down,1) + ((-1+0j)) C(+1-up,1)C^(-i-up,1)C^(+1-down,1)C(-i-down,1) + ((-1+0j)) C(+1-up,1)C^(-i-up,1)C^(-1-down,1)C(+i-down,1) + ((1+0j)) C(+1-up,1)C^(-i-up,1)C(+1-down,1)C^(+i-down,1) + ((1+0j)) C(+1-up,1)C^(-i-up,1)C(-1-down,1)C^(-i-down,1) + ((-1+0j)) C(-1-up,1)C^(-i-up,1)C^(+1-down,1)C(+i-down,1) + ((-1+0j)) C(-1-up,1)C^(-i-up,1)C^(-1-down,1)C(-i-down,1) + ((1+0j)) C(-1-up,1)C^(-i-up,1)C(-1-down,1)C^(+i-down,1) + ((1+0j)) C(-1-up,1)C^(-i-up,1)C(+1-down,1)C^(-i-down,1) + ((-1+0j)) C(+i-up,1)C^(-i-up,1)C^(+1-down,1)C(-1-down,1) + ((-1+0j)) C(+i-up,1)C^(-i-up,1)C^(+i-down,1)C(-i-down,1) + ((1+0j)) C(+i-up,1)C^(-i-up,1)C(+1-down,1)C^(-1-down,1) + ((1+0j)) C(+i-up,1)C^(-i-up,1)C(+i-down,1)C^(-i-down,1) - 4.0 C^(+1-up,1)C(+1-up,1) - 2.0 C^(+i-up,1)C(+i-up,1) - 2.0 C^(-i-up,1)C(-i-up,1) - 4.0 C^(+1-down,1)C(+1-down,1) - 2.0 C^(+i-down,1)C(+i-down,1) - 2.0 C^(-i-down,1)C(-i-down,1)
Inv Fourier done
Traceback (most recent call last):
File "/Users/hugstr/src/triqs/TRIQS-TRIQS-775c5fd/pytriqs/Solvers/HybridizationExpansion/test/CDMFT_4_sites-v2.py", line 99, in <module>
myloop(Solver_List = S,Chemical_potential = 2.0).run(N_Loops = 1)
File "/Users/hugstr/src/triqs/triqs_build/pytriqs/Base/DMFT/Loop_Generic.py", line 134, in run
sol.Solve()
File "/Users/hugstr/src/triqs/triqs_build/pytriqs/Solvers/HybridizationExpansion/__init__.py", line 294, in Solve
C_Module.MC_solve(self.__dict__ ) # C++ solver
RuntimeError: Triqs runtime error at /Users/hugstr/src/triqs/TRIQS-TRIQS-775c5fd/pytriqs/Solvers/HybridizationExpansion/C++/util.hpp :
Trace is :
1 _pytriqs_Solver_HybridizationExpansion.so 0x00000001039c14fc triqs::mc_tools::histogram_binned& OP_Tools::map_insert_check<std::string, triqs::mc_tools::histogram_binned, std::map<std::string, triqs::mc_tools::histogram_binned, std::less<std::string>, std::allocator<std::pair<std::string const, triqs::mc_tools::histogram_binned> > > >(std::map<std::string, triqs::mc_tools::histogram_binned, std::less<std::string>, std::allocator<std::pair<std::string const, triqs::mc_tools::histogram_binned> > >&, std::string const&, triqs::mc_tools::histogram_binned const&) 972
2 _pytriqs_Solver_HybridizationExpansion.so 0x00000001039c1ebc Insert_Cdag_C_Delta::Insert_Cdag_C_Delta(int, Configuration&, std::map<std::string, triqs::mc_tools::histogram_binned, std::less<std::string>, std::allocator<std::pair<std::string const, triqs::mc_tools::histogram_binned> > >&, triqs::mc_tools::polymorphic_random_generator&) 492
3 _pytriqs_Solver_HybridizationExpansion.so 0x00000001039b46c0 MC_Hybridization_Matsubara::MC_Hybridization_Matsubara(triqs::python_tools::improved_python_dict const&, unsigned long) 4368
4 _pytriqs_Solver_HybridizationExpansion.so 0x00000001039b7690 MC_Hybridization_Matsu::solve(boost::python::api::object) 208
5 _pytriqs_Solver_HybridizationExpansion.so 0x00000001039d2112 boost::python::objects::caller_py_function_impl<boost::python::detail::caller<void (*)(boost::python::api::object), boost::python::default_call_policies, boost::mpl::vector2<void, boost::python::api::object> > >::operator()(_object*, _object*) 34
6 libboost_for_triqs.dylib 0x0000000102c04d7c boost::python::objects::function::call(_object*, _object*) const 716
7 libboost_for_triqs.dylib 0x0000000102c05010 boost::detail::function::void_function_ref_invoker0<boost::python::objects::(anonymous namespace)::bind_return>::invoke(boost::detail::function::function_buffer&) 32
8 libboost_for_triqs.dylib 0x0000000102bee3b3 boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const 67
9 _pytriqs_Solver_HybridizationExpansion.so 0x00000001039d1b8b boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<H5::Exception (*)(H5::Exception const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(H5::Exception const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) 27
10 libboost_for_triqs.dylib 0x0000000102bee398 boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const 40
11 mpi.so 0x000000010359d127 boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<boost::mpi::python::object_without_skeleton, boost::mpi::python::translate_exception<boost::mpi::python::object_without_skeleton> >, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<boost::mpi::python::translate_exception<boost::mpi::python::object_without_skeleton> > > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) 23
12 libboost_for_triqs.dylib 0x0000000102bee398 boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const 40
13 mpi.so 0x00000001035949a7 boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<boost::mpi::exception, boost::mpi::python::translate_exception<boost::mpi::exception> >, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<boost::mpi::python::translate_exception<boost::mpi::exception> > > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) 23
14 libboost_for_triqs.dylib 0x0000000102bee398 boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const 40
15 _pytriqs_GF.so 0x0000000102817f5b boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<std::string (*)(std::string const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(std::string const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) 27
16 libboost_for_triqs.dylib 0x0000000102bee17b boost::python::handle_exception_impl(boost::function0<void>) 43
17 libboost_for_triqs.dylib 0x0000000102c06ce0 function_call 80
18 Python 0x000000010000b902 PyObject_Call 98
19 Python 0x00000001000b4fee PyEval_EvalFrameEx 12990
20 Python 0x00000001000b9af5 PyEval_EvalCodeEx 2197
21 Python 0x00000001000b7a8d PyEval_EvalFrameEx 23901
22 Python 0x00000001000b9af5 PyEval_EvalCodeEx 2197
23 Python 0x00000001000b7a8d PyEval_EvalFrameEx 23901
24 Python 0x00000001000b9af5 PyEval_EvalCodeEx 2197
25 Python 0x00000001000b9c16 PyEval_EvalCode 54
26 Python 0x00000001000dea6e PyRun_FileExFlags 174
27 Python 0x00000001000ded29 PyRun_SimpleFileExFlags 489
28 Python 0x00000001000ee40c Py_Main 2764
29 Python 0x0000000100000f14 0x0 4294971156
map_insert_check : key 'Insert_Cdagger_C___histo_proposed' is already present
The f2py call for the fortran modules is not always stable. The BuildF2PYModule of cmake executes the command
f2py -c --f90exec= ....
This results in many cases in bad linking of the library file. Instead, the command should be
f2py -c --fcompiler= ...
where is gnu95 or intelem, for example. Problem: can not be detected easily. Maybe set gnu95 as standard, that should work always.
For intensive reading on large files, HDF_Archive is slow, much slower than h5py.
This is due to multiple rereading of the keys of the file.
Largely fixed in 4ad44c1
To be done : improve is_group and is_data. HDF_Archive is still 3*slower than direct h5py
Comparing the output of this test with the reference output, lines 9 ("a --- > 12") and 10 ("b --- > 102") are swapped.
Printing these two lines is invoked from pytriqs/Tools/test/test_converter.cpp line 64. Basically, the dict { "a" : 12, "b" : 102} is put into an boost::unordered_map<std::string, int > and read out again.
Since it is an _unordered__map, I doubt swapping the order should be considered a fail of the test. I don't have a quick solution at hand however. Perhaps sorting the items again by their key before printing?
With a hybridisation called De, having the tail,
De['up0']._tail =
(1.26244,0) /Om^1 + (2.33916,0) /Om^2 + (15.3252,0) /Om^3 + (66.9588,0) /Om^4 + (584.694,0) /Om^5 + (2131.61,0) /Om^6 + (20329.8,0) /Om^7 + (-4.99864e+12,0) /Om^8
the following happens:
(0.0_De)['up0']._tail = (-4.99864e+12,0) /Om^8
or similar:
(0.5_De)['up0']._tail =
(0.631222,0) /Om^1 + (1.16958,0) /Om^2 + (7.66262,0) /Om^3 + (33.4794,0) /Om^4 + (292.347,0) /Om^5 + (1065.8,0) /Om^6 + (10164.9,0) /Om^7 + (-4.99864e+12,0) /Om^8
The tail Om^8 is not set properly. It is minimal in this example, but a bug.
Really problematic is the following: Let G be now the inverse of a Greens function:
(0.0*G)['up0']._tail =
(1,0) Om^1 + (0,-0) + (0,-0) /Om^1 + (0,-0) /Om^2 + (0,-0) /Om^3 + (0,0) /Om^4 + (0,-0) /Om^5 + (0,0) /Om^6 + (0,0) /Om^7 + (4.99883e+12,-0) /Om^8
Not only the highest power is not set, but also the linear term is not set to zero!!!
We have to treat the boundaries for lowest/highest orders in the tail expansion correctly!
Right now the code is generic and does no special optimization when purely density-density Hamiltonians are used. it would be good to specialize the code for this situation where traces can be computed very quickly.
The script, which solves an impurity model (short enough that I just put it below) ends with a segmentation fault.
The segmentation fault occurs if (as below) Lattice library is imported and Time_Accumulation is used.
from pytriqs.Base.Lattice import *
from pytriqs.Base.GF_Local import *
from pytriqs.Base.Archive import *
U = 2.5
Beta = 10
e_f = 1.0
V=1.0
D=1.0
from pytriqs.Solvers.Operators import *
from pytriqs.Solvers.HybridizationExpansion import Solver
S = Solver(Beta = Beta,
GFstruct = [ ('up',[1]), ('down',[1]) ],
H_Local = U * N('up',1) * N('down',1),
Quantum_Numbers = {
'Nup' : N('up',1),
'Ndown' : N('down',1) },
N_Cycles = 20000,
N_Frequencies_Accumulated = 300,
Fitting_Frequency_Start =200,
Length_Cycle = 200,
N_Warmup_Cycles = 1000,
N_Legendre_Coeffs = 50,
Time_Accumulation = True,
Legendre_Accumulation = False,
Random_Generator_Name = 'mt19937',
Use_Segment_Picture = True,
Measured_Operators = {
'Nimp' : N('up',1)+N('down',1) },
Global_Moves = [
(0.05, lambda (a,alpha,dag) : ( {'up':'down','down':'up'}[a],alpha,dag ) ) ],
)
for spin, g0 in S.G0 :
g0 <<= inverse( iOmega_n - e_f - V**2 * SemiCircular(D) )
S.Solve()
Hi, everyone.
I'm trying to build triqs on top of intel compiler with mpich2.
The configure script is almost the same as in issue #9. The environment is totally the same, apart that the fPIC compiled mpich - intel is available now.
Here it is:
CXX="icpc" CC="icc" F77="ifort" F90="ifort" cmake \ -DBLAS_LIBRARY=-lmkl_core -DLAPACK_LIBRARY="-lgm;-lmkl_intel_lp64;-lmkl_sequential;-lpthread" \ -DCBLAS_INCLUDE_DIR=/usr/local/intel/composerxe/2011.7.256/mkl/include \ -DLAPACK_LINKER_FLAGS=-L/usr/local/intel/composerxe/2011.7.256/mkl/lib/intel64 \ -DBOOST_SOURCE_DIR=/home/antipov/code/boost_svn \ -DMPIEXEC:FILEPATH=/usr/local/mpich2-ch3/intel-fPIC/bin/bin/mpiexec \ -DMPI_COMPILER:FILEPATH=/usr/local/mpich2-ch3/intel-fPIC/bin/mpicxx \ -DMPI_LIBRARY:FILEPATH=/usr/local/mpich2-ch3/intel-fPIC/lib/libmpich.a \ -DMPI_INCLUDE_PATH:STRING=/usr/local/mpich2-ch3/intel-fPIC/include \ -DCMAKE_INSTALL_PREFIX=/home/antipov/_local \ /home/antipov/code/triqs
Here's what I receive:
Linking CXX executable a_x_ty_nopy ../../../../foreignlibs/boost/libboost_for_triqs.so: undefined reference to `MPL_env2str' ../../../../foreignlibs/boost/libboost_for_triqs.so: undefined reference to `_intel_fast_memset' ../../../../foreignlibs/boost/libboost_for_triqs.so: undefined reference to `MPL_env2int' ../../../../foreignlibs/boost/libboost_for_triqs.so: undefined reference to `MPL_env2range' ../../../../foreignlibs/boost/libboost_for_triqs.so: undefined reference to `MPL_env2bool' ../../../../foreignlibs/boost/libboost_for_triqs.so: undefined reference to `__intel_sse2_strdup' ../../../../foreignlibs/boost/libboost_for_triqs.so: undefined reference to `__intel_sse2_strlen' ../../../../foreignlibs/boost/libboost_for_triqs.so: undefined reference to `__intel_sse2_strncmp' ../../../../foreignlibs/boost/libboost_for_triqs.so: undefined reference to `__intel_sse2_strchr' ../../../../foreignlibs/boost/libboost_for_triqs.so: undefined reference to `_intel_fast_memcpy'
MPL is some obsolete bindings of mpich and I guess calling them can be avoided by specifiying some options in cmake.
All the best,
Andrey.
Finish chekpointing
The line setting the python path for the tests is
export PYTHONPATH=/home/lv70265/aichhorn/Codes/build/TRIQS
However, it should be
export PYTHONPATH=/home/lv70265/aichhorn/Codes/build/TRIQS:$PYTHONPATH
Otherwise, the tests will fail if it was necessary to install some modules manually without root acces. For instance, if your h5py is in a non-standard location...
Hi everyone,
This time another check of a single impurity: finite D=0.5, big number of steps and large U=16 and beta=100.
That's the diff in a sample script from Documentation and the one I used:
5,6c5,6
D, V, U = 1.0, 0.5, 16.0
e_f, Beta = -U/2.0, 100
---
> D, V, U = 1.0, 0.2, 4.0
> e_f, Beta = -U/2.0, 50
15c15
N_Cycles = 1000000, # Number of QMC cycles
---
> N_Cycles = 500000, # Number of QMC cycles
The result is:
Is it just that a poor sampling of Legendre coefficients give this?
By the way - how to switch it off? Simple setting of "Legendre_Accumulation" to False and commenting out "Results["Gl"] = S.G_Legendre" provides an error:
numpy.linalg.linalg.LinAlgError: Singular matrix
Best regards,
Andrey
clang-3: warning: argument unused during compilation: '-fpic'
Anything written on the screen with std::cout in a c++ extension module will not be redirected to the ipython notebook display. This is a pity because all this information just appears in the console that launched the notebook, e.g. the information written by the TRIQS solver will not be seen in the notebook.
The reason is that ipython notebook basically redefines sys.stdout into an IPython.zmq.iostream.OutStream. Of course the extension module are unaware of this... It looks like the only easy way out is to redirect the std::cout file descriptor and later flush the fd into the OutStream. And I don't see how this can be done on the fly...
As suggested in issue #24:
The invert/multiply of local Green function was temporary put back in python for technical details, we have to move this loop to C++.
sphinx-build is looked for inthe system, not
in EPD when installed.
Hi,
In the code snippet
import sys, pytriqs.Base.version as version
log = Results.create_group("log")
log["code_version"] = version.revision()
shouldn't version.revision() be changed to version.revision ? otherwise I get
TypeError: 'str' object is not callable
... and log set to Results["log"] through
log = Results["log"]
(after having created the group "log" in Results) ? Otherwise log remains NoneType and I get the error
TypeError: 'NoneType' object is not subscriptable
When I carry out these two modifications everything seems to work fine.
Installing TRIQS with mkl is not so easy. TRIQS is not detecting MKL and we will not try to include this feature. Nevertheless we could put a paragraph giving some hints on how to set the lapack/blas flags in order to use MKL. In particular it should emphasize that one needs static libraries for MKL otherwise one will run into RTD_GLOBAL-like problems with typical error messages:
*** libmkl_mc3.so *** failed with error : /xxx/lib/em64t/libmkl_mc3.so: undefined symbol: mkl_dft_commit_descriptor_s_c2c_md_omp
Hi,
I have tried to install triqs and stumbled across an issue already raised in #5. I get the error message
CMake Error: CMake can not determine linker language for target:boost_for_triqs
CMake Error: Cannot determine link language for target "boost_for_triqs".
right at the end of the cmake.
In #5 the issue seems to have been resolved by using absolute path names instead of ~/. This doesn't help in my case.
Here is the full output:
-- Installation directory is /Users/sentefmi/Documents/OLD_MACBOOK/Physik/triqs_build/INSTALL_DIR
-- DYNAMIC Built
-- CMAKE_GENERATOR: Unix Makefiles
-- CMAKE_CL_64:
-- CMAKE_SIZEOF_VOID_P: 8
-- CMAKE_GENERATOR: Unix Makefiles
-- CMAKE_CL_64:
-- Build type: Release
-- MPI compiler was /usr/local/bin/mpicxx
-- Using Framework on Darwin.
-- HDF5 version found is 1.8.8 in /sw/include
-- Python interpreter /opt/local/bin/python
-- Python interpreter ok : version 2.7.2
-- PYTHON_INCLUDE_DIRS = /opt/local/Library/Frameworks/Python.framework/Versions/2.7/include/python2.7
-- PYTHON_NUMPY_INCLUDE_DIR = /opt/local/Library/Frameworks/Python.framework/Versions/2.7/lib/python2.7/site-packages/numpy/core/include
-- PYTHON_SITE_PKG = /opt/local/Library/Frameworks/Python.framework/Versions/2.7/lib/python2.7/site-packages
-- PYTHON_LIBRARY = /opt/local/Library/Frameworks/Python.framework/Versions/2.7/lib/python2.7/config/libpython2.7.a
-- PYTHON_EXTRA_LIBS =-ldl -framework CoreFoundation
-- PYTHON_LINK_FOR_SHARED = -u _PyMac_Error /opt/local/Library/Frameworks/Python.framework/Versions/2.7/Python
-- Numpy include in /opt/local/Library/Frameworks/Python.framework/Versions/2.7/lib/python2.7/site-packages/numpy/core/include
-- HDF5_LIBRARIES = debug;/sw/lib/libhdf5_hl.dylib;/sw/lib/libhdf5.dylib;/sw/lib/libsz.dylib;/usr/lib/libz.dylib;/usr/lib/libm.dylib;/sw/lib/libhdf5_cpp.dylib;optimized;/sw/lib/libhdf5_hl.dylib;/sw/lib/libhdf5.dylib;/sw/lib/libsz.dylib;/usr/lib/libz.dylib;/usr/lib/libm.dylib;/sw/lib/libhdf5_cpp.dylib
-- Triqs general lib detection ( but boost )
-- Adding definitions
-- Adding include /usr/local/include;/sw/include;/opt/local/Library/Frameworks/Python.framework/Versions/2.7/include/python2.7;/opt/local/Library/Frameworks/Python.framework/Versions/2.7/lib/python2.7/site-packages/numpy/core/include
-- Adding libs /usr/local/lib/libmpi_cxx.dylib;/usr/local/lib/libmpi.dylib;/usr/lib/libpthread.dylib;debug;/sw/lib/libhdf5_hl.dylib;/sw/lib/libhdf5.dylib;/sw/lib/libsz.dylib;/usr/lib/libz.dylib;/usr/lib/libm.dylib;/sw/lib/libhdf5_cpp.dylib;optimized;/sw/lib/libhdf5_hl.dylib;/sw/lib/libhdf5.dylib;/sw/lib/libsz.dylib;/usr/lib/libz.dylib;/usr/lib/libm.dylib;/sw/lib/libhdf5_cpp.dylib;/opt/local/Library/Frameworks/Python.framework/Versions/2.7/lib/python2.7/config/libpython2.7.a
-- Adding library dir
-- Python modules will be installed in /Users/sentefmi/Documents/OLD_MACBOOK/Physik/triqs_build/INSTALL_DIR/lib/python2.7/site-packages/pytriqs
-- I am using boost sources from /Users/sentefmi/Downloads/path_to_boost_sources/ to compile a mini boost_for_triqs
-- BOOST_INCLUDE_DIR = /Users/sentefmi/Downloads/path_to_boost_sources/
-- You are not using mkl
-- cblas header found at /System/Library/Frameworks/vecLib.framework/Headers
-- Git hash 7e32976
-- Git branches :
... and the error messages:
You have called ADD_LIBRARY for library boost_for_triqs without any source files. This typically indicates a problem with your CMakeLists.txt file
CMake Error: CMake can not determine linker language for target:boost_for_triqs
CMake Error: Cannot determine link language for target "boost_for_triqs".
Any ideas? Thanks a lot!
Michael
Hi,
As I have discussed with Olivier some days ago, finding chemical potential on some real materials systems (for instance pnictides) appears to be much longer than with previous versions of triqs (pythacore). It may be due to non-optimised coding of inversion of Green functions or sums. This increase of computation time is comparable to the solver part computation time.
Plus, it sometimes crashes because of "MemoryError". Unfortunately I am unable to reproduce the bug 100% of time. Relaunching the program usually works. Here is the output:
Dichotomy adjustment of Chemical_Potential to obtain Total Density = 68.000000 +/- 0.000100
MemoryError
[n066][[33206,1],10][btl_tcp_frag.c:214:mca_btl_tcp_frag_recv] mca_btl_tcp_frag_recv: readv failed: Connection reset by peer (104)
/home/vanroeke/bin/pytriqs: line 4: 14980 Killed python2.6 $@
mpirun has exited due to process rank 12 with PID 14973 on
node n070.cluster exiting without calling "finalize". This may
have caused other processes in the application to be
terminated by signals sent by mpirun (as reported here).
Traceback (most recent call last):
File "DMFT_slater_SF_useprevious.py", line 94, in
Chemical_Potential = SK.find_mu( precision = prec_mu ) # find the chemical potential
File "/home/vanroeke/TRIQS/BUILD/INSTALL_DIR/lib/python2.6/site-packages/pytriqs/Wien2k/SumK_LDA.py", line 933, in find_mu
verbosity = 3)[0]
File "/home/vanroeke/TRIQS/BUILD/INSTALL_DIR/lib/python2.6/site-packages/pytriqs/Base/Utility/Dichotomy.py", line 54, in Dichotomy
y1 = Function(x)
File "/home/vanroeke/TRIQS/BUILD/INSTALL_DIR/lib/python2.6/site-packages/pytriqs/Wien2k/SumK_LDA.py", line 924, in
F = lambda mu : self.total_density(mu = mu)
File "/home/vanroeke/TRIQS/BUILD/INSTALL_DIR/lib/python2.6/site-packages/pytriqs/Wien2k/SumK_LDA.py", line 910, in total_density
S = self.latticeGF_Matsubara(ik=ik,mu=mu)
File "/home/vanroeke/TRIQS/BUILD/INSTALL_DIR/lib/python2.6/site-packages/pytriqs/Wien2k/SumK_LDA.py", line 299, in latticeGF_Matsubara
for sig,gf in tmp: tmp[sig] <<= self.upfold(ik,icrsh,sig,stmp[icrsh][sig],gf)
File "/home/vanroeke/TRIQS/BUILD/INSTALL_DIR/lib/python2.6/site-packages/pytriqs/Wien2k/SumK_LDA.py", line 218, in upfold
gf_upfolded = gf_inp.copy()
File "/home/vanroeke/TRIQS/BUILD/INSTALL_DIR/lib/python2.6/site-packages/pytriqs/Base/GF_Local/GFBloc_base_data_tail.py", line 80, in copy
Name = self.Name, Note = self.Note)
File "/home/vanroeke/TRIQS/BUILD/INSTALL_DIR/lib/python2.6/site-packages/pytriqs/Base/GF_Local/GFBloc_ImFreq.py", line 90, in init
self.init_before_injection(*self._param_for_cons)
RuntimeError: PyArray <Array<T,n> : can not construct
postExec.sh:0 running script /opt/sge/current/serviware/postExec/00removeEmptyOuput.sh
postExec.sh:0 running script /opt/sge/current/serviware/postExec/01xferFiles.sh
Hi everybody,
this issue is very likely related to
TRIQS/triqs#17 (I encountered this problem
while trying to do sth. very similar). Maybe you can confirm this and
merge these two issues somehow?
Minimal testcase:
<--snip-->
from pytriqs.Base.Lattice.pytriqs_LatticeTools import bravais_lattice
from scipy.optimize import leastsq
<--snap-->
Results (running in gdb):
<--snip-->
Program received signal SIGSEGV, Segmentation fault.
0x00007ffff2beba40 in PyArray_API ()
from /usr/lib/pymodules/python2.7/numpy/core/multiarray.so
<--snap-->
Everything on Ubuntu 11.10 (x86_64) with python/numpy/scipy/gcc from
my distribution and boost 1.48.0.
The Reason is the following:
from pytriqs.Base.Lattice.pytriqs_LatticeTools import bravais_lattice
already brings numpy's 'multiarray.so' into my python process and this
happens with RTLD_GLOBAL:
Excerpt from 'pytriqs/Base/Lattice/pytriqs_LatticeTools.py':
<--snip-->
sys.setdlopenflags(flag|ctypes.RTLD_GLOBAL)
from pytriqs.Base.Lattice._pytriqs_LatticeTools import *
sys.setdlopenflags(flag)
<--snap-->
'TRIQS/pytriqs/Base/Lattice/C++/wrap.cpp' now calls numpy's
'_import_array()' and this in turn brings 'multiarray.so' in (while
'RTLD_GLOBAL' is still in effect).
Now,
from scipy.optimize import leastsq
crashes because it tries to write-access the "wrong" 'PyArray_API'
symbol instead of its own one (actually the one from 'multiarray.so'
mapped into a read-only memory section while 'RTLD_GLOBAL' had been in
effect). (See
http://docs.python.org/extending/extending.html#providing-a-c-api-for-an-extension-module
for further details on this PyFoo_API technique).
Please note, that the leastsq is also imported in
'TRIQS/pytriqs/Base/GF_Local/GFBloc_ImFreq.py:117' (method
'fitTail'). This is what brings me to the conclusion that this issue
might be related to the one mentioned above.
As a fix I tried to just remove the calls to 'setdlopenflags'
enclosing the import statements:
<--snip-->
diff --git a/cmake/FindPythonModuleEmbeddingTool.cmake b/cmake/FindPythonModuleE
index fbe5a93..dd9d5da 100644
--- a/cmake/FindPythonModuleEmbeddingTool.cmake
+++ b/cmake/FindPythonModuleEmbeddingTool.cmake
@@ -27,7 +27,7 @@ else (TRIQS_BUILD_STATIC)
#nSET (FIX "from pytriqs.alps import pyhdf5_c \n")
#file (WRITE ${CMAKE_BINARY_DIR}/${ModuleIncludeFile} "import sys,dl\nflag =
For a quick check, I ran a 'make test' and at least I got no
"undefined reference" errors (I got some errors, but these are related
to HDF5 comparisons).
I also tried to import all pytriqs-Modules implemented in C++ (each in its own, fresh python process):
pytriqs.Base.GF_Local._pytriqs_GF
pytriqs.Base.Lattice._pytriqs_LatticeTools
pytriqs.Solvers.HubbardI.hubbard_I
pytriqs.Solvers.HybridizationExpansion._pytriqs_Solver_HybridizationExpansion
pytriqs.Wien2k.vertex
pytriqs.boost.mpi
An again, no "unresolved references".
Best,
Nicolai
P.S:
The people here seem to have a very similar problem:
http://projects.scipy.org/numpy/ticket/1148
I am trying to construct a 3d simple cubic lattice using the lattice tools from
pytriqs.Base.Lattice.TightBinding
I construct the lattice as follows:
BL = bravais_lattice(Units = [(1,0,0) , (0,1,0), (0,0,1) ], Orbital_Positions= {"" : (0,0,0)} )
The code crushes due to check of the Units dimension in pytriqs/Base/Lattice/C++/bravais_lattice_and_brillouin_zone.cpp (l. 53) :
assert(dim_==2);
Is this some check left from debugging or the code is supposed to work for 2d lattices only?
I'm trying to write an installation script for my Linux distribution (Gentoo). It is supposed to download (git pull), compile and install TRIQS in an automated way.
There is a check in the root CMakeLists.txt file of TRIQS which determines the path to the boost.python module directory:
EXEC_PYTHON_SCRIPT ("import boost; print boost.__path__[0]" BOOST_MODULE_DIR)Unfortunately this statement fails on Gentoo, since it uses a different naming convention for the module: /usr/lib64/python2.7/site-packages/boost_1_46 instead of /usr/lib64/python2.7/site-packages/boost. Although a simple symlink could solve the problem, this trick would not be consistent with how the package manager of the distribution works. I would like to suggest a short patch which allows a user to explicitly override BOOST_MODULE_DIR from the cmake command line.
Dear developers,
the saving to text files (say, 'GF.save("gf")') crashes.
Furthermore, it's not discussed in the documentation. The issue lies in the fact that .save() checks for whether one is on the master node and if MPI is not imported, this does not work.
Jernej
I have compiled and installed TRIQS successfully (git master) following the user manual page. However there is an implicit issue with the installation. When the SHARED_LIBS option is enabled, python modules in the resulting installation are linked against libLocalGreenFunction_c.so and libtriqs.so residing in the build directory. The problem gets partially solved by switching on Install_dev option, because then libtriqs.so is installed into ${CMAKE_INSTALL_PREFIX}/lib. I guess this behavior was introduced with the static linking in mind, because it indeed makes sense to install the static library only to develop TRIQS itself.
Nevertheless, both those shared libraries must be installed into ${CMAKE_INSTALL_PREFIX}/lib and properly linked to make it possible to create binary distributions of TRIQS.
Succesfully installed and compiled TRIQS. I have made a run of example aim.py ( http://ipht.cea.fr/triqs/doc/user_manual/solvers/aim.html ). Everything is fine, gw over matsubaras looks smooth.
The output for D=0.2 is:
However, as soon as i turn off the hybridization with the bath (D=0), I get weird imaginary frequency dependent green's function.
The output for D=0 is :
Here is the diff of script against aim.py from the example (the error persists with increasing the number of QMC cycles):
antipov@r2d2_v2 ~/calc/triqs_test $ diff aim.py aim_backup.py
5,6c5,6
D, V, U = 1.0, 0.0, 4.0
e_f, Beta = -U/2.0, 10
---
> D, V, U = 1.0, 0.2, 4.0
> e_f, Beta = -U/2.0, 50
15c15
N_Cycles = 100000, # Number of QMC cycles
---
> N_Cycles = 500000, # Number of QMC cycles
I assume it comes from a zero determinant in QMC since Delta=0.
I have an error when I try to run wien2triqs with ctqmc solver, with:
Monte Carlo Error : the rate is not finite in move Insert3
no errors in the first iteration of ctqmc solver but in the (02) second iteration the program ends with error,
I have this lines after the run of dmftproj in wien2k :
The charge of the orbital is : 5.84384
Writing the file case.ctqmcout...
Writing the file case.symqmc...
Writing the file case.parproj...
Writing the file case.sympar...
Writing the file case.outbwin...
END OF THE PRGM
Starting on 1 Nodes at : 2011-11-19 23:31:49.034242
Reading input from Os_qdmft.ctqmcout...
Reading symmetry input from Os_qdmft.symqmc...
Dichotomy adjustment of Chemical_Potential to obtain Total Density = 16.000000 +/- 0.000100
Chemical_Potential = -0.500000
Total Density = 15.307047
0.000000 < Chemical_Potential < -0.500000
16.107064 < Total Density < 15.307047
-0.066914 < Chemical_Potential < -0.500000
16.019393 < Total Density < 15.307047
-0.078705 < Chemical_Potential < -0.500000
16.002808 < Total Density < 15.307047
-0.080405 < Chemical_Potential < -0.500000
16.000388 < Total Density < 15.307047
-0.080641 < Chemical_Potential < -0.500000
16.000053 < Total Density < 15.307047
Chemical_Potential found in 5 iterations :
Total Density = 16.000053;Chemical_Potential = -0.080641
Total charge of Gloc : 5.846901
/home/zanat/WIEN2k_11/BIN_triqsdmft/lib/python2.7/dist-packages/pytriqs/Wien2k/SumK_LDA.py:687: ComplexWarning: Casting complex values to real discards the imaginary part
dm[icrsh][self.mapinv[iorb][bl]][ind1,ind2] = densmat[bl][i,j]
DC for shell 0 and block up = 9.921472
DC for shell 0 and block down = 9.921472
DC energy for shell 0 = 26.2926202201
DC for shell 1 and block up = 9.921472
DC for shell 1 and block down = 9.921472
DC energy for shell 1 = 26.2926202201
Optional parameters defined to their default values:
*Global_Moves -> []
Description :
A list of global moves
*Fitting_Frequency_Start -> 50
Description :
Frequency at which the fit starts
*Record_Statistics_Configurations -> False
Description :
(Expert only) Get the kink length statistics
*Quantum_Numbers_Selection -> <function at 0x17b6b90>
Description :
(Prototype) A function to select quantum numbers
*Use_F -> False
Description :
(Expert only) Compute F
*Random_Generator_Name ->
Description :
Name of the random number generator
*Keep_Full_MC_Series -> False
Description :
(Expert only) Store the Green's function for later analysis
*N_Legendre_Coeffs -> 50
Description :
Number of Legendre coefficients that are used in practice
*Measured_Operators -> {}
Description :
A dict of operators that will be averaged
*N_Time_Slices_Gtau -> 10000
Description :
Number of times slices in G_tau
*N_Frequencies_Accumulated -> 100
Description :
Number of frequencies to accumulate
*Time_Accumulation -> False
Description :
Do we accumulate in imaginary-time?
*Random_Seed -> 34788
Description :
Seed for the random generator
*Eta -> 0.0
Description :
(Expert only) Value of eta, the minimum value of the det
*Legendre_Accumulation -> True
Description :
Do we accumulate in legendre?
*Proba_Move -> 1.0
Description :
Probability to move operators
*Proba_Insert_Remove -> 1.0
Description :
Probability to insert/remove operators
*Measured_Time_Correlators -> {}
Description :
A dict of operators, whose time correlations are to be measured
Hamiltonian with Eps0 term :
1.35 C^(down0,0)C(down0,0)C^(down1,1)C(down1,1) + 1.35 C^(down0,0)C(down0,0)C^(down2,2)C(down2,2) + 1.35 C^(down0,0)C(down0,0)C^(down3,3)C(down3,3) + 1.35 C^(down0,0)C(down0,0)C^(down4,4)C(down4,4) + 1.35 C^(down1,1)C(down1,1)C^(down2,2)C(down2,2) + 1.35 C^(down1,1)C(down1,1)C^(down3,3)C(down3,3) + 1.35 C^(down1,1)C(down1,1)C^(down4,4)C(down4,4) + 1.35 C^(down2,2)C(down2,2)C^(down3,3)C(down3,3) + 1.35 C^(down2,2)C(down2,2)C^(down4,4)C(down4,4) + 1.35 C^(down3,3)C(down3,3)C^(down4,4)C(down4,4) + 3.3 C^(down0,0)C(down0,0)C^(up0,0)C(up0,0) + 2.0 C^(down0,0)C(down0,0)C^(up1,1)C(up1,1) + 2.0 C^(down0,0)C(down0,0)C^(up2,2)C(up2,2) + 2.0 C^(down0,0)C(down0,0)C^(up3,3)C(up3,3) + 2.0 C^(down0,0)C(down0,0)C^(up4,4)C(up4,4) + 2.0 C^(down1,1)C(down1,1)C^(up0,0)C(up0,0) + 3.3 C^(down1,1)C(down1,1)C^(up1,1)C(up1,1) + 2.0 C^(down1,1)C(down1,1)C^(up2,2)C(up2,2) + 2.0 C^(down1,1)C(down1,1)C^(up3,3)C(up3,3) + 2.0 C^(down1,1)C(down1,1)C^(up4,4)C(up4,4) + 2.0 C^(down2,2)C(down2,2)C^(up0,0)C(up0,0) + 2.0 C^(down2,2)C(down2,2)C^(up1,1)C(up1,1) + 3.3 C^(down2,2)C(down2,2)C^(up2,2)C(up2,2) + 2.0 C^(down2,2)C(down2,2)C^(up3,3)C(up3,3) + 2.0 C^(down2,2)C(down2,2)C^(up4,4)C(up4,4) + 2.0 C^(down3,3)C(down3,3)C^(up0,0)C(up0,0) + 2.0 C^(down3,3)C(down3,3)C^(up1,1)C(up1,1) + 2.0 C^(down3,3)C(down3,3)C^(up2,2)C(up2,2) + 3.3 C^(down3,3)C(down3,3)C^(up3,3)C(up3,3) + 2.0 C^(down3,3)C(down3,3)C^(up4,4)C(up4,4) + 2.0 C^(down4,4)C(down4,4)C^(up0,0)C(up0,0) + 2.0 C^(down4,4)C(down4,4)C^(up1,1)C(up1,1) + 2.0 C^(down4,4)C(down4,4)C^(up2,2)C(up2,2) + 2.0 C^(down4,4)C(down4,4)C^(up3,3)C(up3,3) + 3.3 C^(down4,4)C(down4,4)C^(up4,4)C(up4,4) + 1.35 C^(up0,0)C(up0,0)C^(up1,1)C(up1,1) + 1.35 C^(up0,0)C(up0,0)C^(up2,2)C(up2,2) + 1.35 C^(up0,0)C(up0,0)C^(up3,3)C(up3,3) + 1.35 C^(up0,0)C(up0,0)C^(up4,4)C(up4,4) + 1.35 C^(up1,1)C(up1,1)C^(up2,2)C(up2,2) + 1.35 C^(up1,1)C(up1,1)C^(up3,3)C(up3,3) + 1.35 C^(up1,1)C(up1,1)C^(up4,4)C(up4,4) + 1.35 C^(up2,2)C(up2,2)C^(up3,3)C(up3,3) + 1.35 C^(up2,2)C(up2,2)C^(up4,4)C(up4,4) + 1.35 C^(up3,3)C(up3,3)C^(up4,4)C(up4,4) - 10.175955810027299 C^(up0,0)C(up0,0) - 10.012478754073946 C^(up1,1)C(up1,1) - 10.012478754073946 C^(up2,2)C(up2,2) - 10.070431413969255 C^(up3,3)C(up3,3) - 10.070431413969255 C^(up4,4)C(up4,4) - 10.175955810027299 C^(down0,0)C(down0,0) - 10.012478754073946 C^(down1,1)C(down1,1) - 10.012478754073946 C^(down2,2)C(down2,2) - 10.070431413969255 C^(down3,3)C(down3,3) - 10.070431413969255 C^(down4,4)C(down4,4)
Inv Fourier done
1%; Node : 0
WARNING : RESIZING THE MATRIX : it will be slow if it happens too often !
2%; 3%; 4%; 5%; 6%; Node : 0
WARNING : RESIZING THE MATRIX : it will be slow if it happens too often !
7%; 8%; 9%; 10%; Node : 0
WARNING : RESIZING THE MATRIX : it will be slow if it happens too often !
11%; Node : 0
WARNING : RESIZING THE MATRIX : it will be slow if it happens too often !
12%; Node : 0
WARNING : RESIZING THE MATRIX : it will be slow if it happens too often !
13%; Node : 0
WARNING : RESIZING THE MATRIX : it will be slow if it happens too often !
14%; 15%; 16%; 17%; 18%; 19%; 20%; 21%; 22%; Node : 0
WARNING : RESIZING THE MATRIX : it will be slow if it happens too often !
23%; 24%; Node : 0
WARNING : RESIZING THE MATRIX : it will be slow if it happens too often !
25%; 26%; 27%; 28%; 29%; 30%; 31%; 32%; 33%; 34%; 35%; Node : 0
WARNING : RESIZING THE MATRIX : it will be slow if it happens too often !
36%; 37%; 38%; 39%; 40%; 41%; 42%; 43%; Node : 0
WARNING : RESIZING THE MATRIX : it will be slow if it happens too often !
44%; 45%; 46%; 47%; 48%; 49%; 50%; 51%; 52%; 53%; 54%; 55%; 56%; 57%; 58%; 59%; 60%; 61%; 62%; 63%; 64%; 65%; 66%; 67%; 68%; 69%; 70%; 71%; 72%; 73%; 74%; 75%; 76%; 77%; 78%; 79%; 80%; 81%; 82%; 83%; 84%; 85%; 86%; 87%; 88%; 89%; 90%; 91%; 92%; 93%; 94%; 95%; 96%; 97%; 98%; 99%; Move acceptance probability
Move set : All moves
Acceptance probability of move : INSERT : 0.644174
Move set : INSERT
Acceptance probability of move : Insert0 : 0.645209
Acceptance probability of move : Insert1 : 0.652206
Acceptance probability of move : Insert2 : 0.646056
Acceptance probability of move : Insert3 : 0.64099
Acceptance probability of move : Insert4 : 0.641175
Acceptance probability of move : Insert5 : 0.648641
Acceptance probability of move : Insert6 : 0.646106
Acceptance probability of move : Insert7 : 0.643748
Acceptance probability of move : Insert8 : 0.640569
Acceptance probability of move : Insert9 : 0.637143
Acceptance probability of move : REMOVE : 0.641093
Move set : REMOVE
Acceptance probability of move : Remove0 : 0.647515
Acceptance probability of move : Remove1 : 0.635865
Acceptance probability of move : Remove2 : 0.643769
Acceptance probability of move : Remove3 : 0.634925
Acceptance probability of move : Remove4 : 0.640759
Acceptance probability of move : Remove5 : 0.644758
Acceptance probability of move : Remove6 : 0.642036
Acceptance probability of move : Remove7 : 0.64457
Acceptance probability of move : Remove8 : 0.641115
Acceptance probability of move : Remove9 : 0.635697
Acceptance probability of move : Move C Delta : 0.798248
Monte-Carlo : Time measurements (cpu time) :
time elapsed total : 7987 seconds
Solver Hybridization Expansion has ended.
Total charge of impurity problem : 5.877018
DC for shell 0 and block up = 9.977356
DC for shell 0 and block down = 9.977356
DC energy for shell 0 = 26.5922665608
DC for shell 1 and block up = 9.977356
DC for shell 1 and block down = 9.977356
DC energy for shell 1 = 26.5922665608
Dichotomy adjustment of Chemical_Potential to obtain Total Density = 16.000000 +/- 0.000100
Chemical_Potential = -0.580641
Total Density = 15.335968
-0.080641 < Chemical_Potential < -0.580641
16.116768 < Total Density < 15.335968
-0.155415 < Chemical_Potential < -0.580641
16.012104 < Total Density < 15.335968
-0.155415 < Chemical_Potential < -0.163028
16.012104 < Total Density < 15.999392
-0.162664 < Chemical_Potential < -0.163028
16.000005 < Total Density < 15.999392
Chemical_Potential found in 4 iterations :
Total Density = 16.000005;Chemical_Potential = -0.162664
Total charge of Gloc : 5.873627
Mixing input G0inv with factor 1.0
Hamiltonian with Eps0 term :
1.35 C^(down0,0)C(down0,0)C^(down1,1)C(down1,1) + 1.35 C^(down0,0)C(down0,0)C^(down2,2)C(down2,2) + 1.35 C^(down0,0)C(down0,0)C^(down3,3)C(down3,3) + 1.35 C^(down0,0)C(down0,0)C^(down4,4)C(down4,4) + 1.35 C^(down1,1)C(down1,1)C^(down2,2)C(down2,2) + 1.35 C^(down1,1)C(down1,1)C^(down3,3)C(down3,3) + 1.35 C^(down1,1)C(down1,1)C^(down4,4)C(down4,4) + 1.35 C^(down2,2)C(down2,2)C^(down3,3)C(down3,3) + 1.35 C^(down2,2)C(down2,2)C^(down4,4)C(down4,4) + 1.35 C^(down3,3)C(down3,3)C^(down4,4)C(down4,4) + 3.3 C^(down0,0)C(down0,0)C^(up0,0)C(up0,0) + 2.0 C^(down0,0)C(down0,0)C^(up1,1)C(up1,1) + 2.0 C^(down0,0)C(down0,0)C^(up2,2)C(up2,2) + 2.0 C^(down0,0)C(down0,0)C^(up3,3)C(up3,3) + 2.0 C^(down0,0)C(down0,0)C^(up4,4)C(up4,4) + 2.0 C^(down1,1)C(down1,1)C^(up0,0)C(up0,0) + 3.3 C^(down1,1)C(down1,1)C^(up1,1)C(up1,1) + 2.0 C^(down1,1)C(down1,1)C^(up2,2)C(up2,2) + 2.0 C^(down1,1)C(down1,1)C^(up3,3)C(up3,3) + 2.0 C^(down1,1)C(down1,1)C^(up4,4)C(up4,4) + 2.0 C^(down2,2)C(down2,2)C^(up0,0)C(up0,0) + 2.0 C^(down2,2)C(down2,2)C^(up1,1)C(up1,1) + 3.3 C^(down2,2)C(down2,2)C^(up2,2)C(up2,2) + 2.0 C^(down2,2)C(down2,2)C^(up3,3)C(up3,3) + 2.0 C^(down2,2)C(down2,2)C^(up4,4)C(up4,4) + 2.0 C^(down3,3)C(down3,3)C^(up0,0)C(up0,0) + 2.0 C^(down3,3)C(down3,3)C^(up1,1)C(up1,1) + 2.0 C^(down3,3)C(down3,3)C^(up2,2)C(up2,2) + 3.3 C^(down3,3)C(down3,3)C^(up3,3)C(up3,3) + 2.0 C^(down3,3)C(down3,3)C^(up4,4)C(up4,4) + 2.0 C^(down4,4)C(down4,4)C^(up0,0)C(up0,0) + 2.0 C^(down4,4)C(down4,4)C^(up1,1)C(up1,1) + 2.0 C^(down4,4)C(down4,4)C^(up2,2)C(up2,2) + 2.0 C^(down4,4)C(down4,4)C^(up3,3)C(up3,3) + 3.3 C^(down4,4)C(down4,4)C^(up4,4)C(up4,4) + 1.35 C^(up0,0)C(up0,0)C^(up1,1)C(up1,1) + 1.35 C^(up0,0)C(up0,0)C^(up2,2)C(up2,2) + 1.35 C^(up0,0)C(up0,0)C^(up3,3)C(up3,3) + 1.35 C^(up0,0)C(up0,0)C^(up4,4)C(up4,4) + 1.35 C^(up1,1)C(up1,1)C^(up2,2)C(up2,2) + 1.35 C^(up1,1)C(up1,1)C^(up3,3)C(up3,3) + 1.35 C^(up1,1)C(up1,1)C^(up4,4)C(up4,4) + 1.35 C^(up2,2)C(up2,2)C^(up3,3)C(up3,3) + 1.35 C^(up2,2)C(up2,2)C^(up4,4)C(up4,4) + 1.35 C^(up3,3)C(up3,3)C^(up4,4)C(up4,4) - 2.537454018078277 C^(up0,0)C(up0,0) - 2.496584765934286 C^(up1,1)C(up1,1) - 2.496584765934286 C^(up2,2)C(up2,2) - 2.5110729238031597 C^(up3,3)C(up3,3) - 2.5110729238031597 C^(up4,4)C(up4,4) - 2.537454018078277 C^(down0,0)C(down0,0) - 2.496584765934286 C^(down1,1)C(down1,1) - 2.496584765934286 C^(down2,2)C(down2,2) - 2.5110729238031597 C^(down3,3)C(down3,3) - 2.5110729238031597 C^(down4,4)C(down4,4)
Inv Fourier done
Node : 0
WARNING : RESIZING THE MATRIX : it will be slow if it happens too often !
Node : 0
WARNING : RESIZING THE MATRIX : it will be slow if it happens too often !
Traceback (most recent call last):
File "Os_qdmft.py", line 97, in
S.Solve()
File "/home/zanat/WIEN2k_11/BIN_triqsdmft/lib/python2.7/dist-packages/pytriqs/Solvers/HybridizationExpansion/init.py", line 296, in Solve
C_Module.MC_solve(self.dict ) # C++ solver
RuntimeError: Triqs runtime error at /home/zanat/WIEN2k_11/SRC_triqsdmft/triqs/mc_tools/./mc_move_set1.hpp : 175
Trace is :
/home/zanat/WIEN2k_11/BIN_triqsdmft/lib/python2.7/dist-packages/pytriqs/Solvers/HybridizationExpansion/_pytriqs_Solver_HybridizationExpansion.so triqs::mc_tools::move_setstd::complex::Try() 0x140 [0x2b7fdcd1c180]
/home/zanat/WIEN2k_11/BIN_triqsdmft/lib/python2.7/dist-packages/pytriqs/Solvers/HybridizationExpansion/_pytriqs_Solver_HybridizationExpansion.so triqs::mc_tools::details::move_implstd::complex<double, triqs::mc_tools::move_setstd::complex >::Try() 0x12 [0x2b7fdcd1c302]
/home/zanat/WIEN2k_11/BIN_triqsdmft/lib/python2.7/dist-packages/pytriqs/Solvers/HybridizationExpansion/_pytriqs_Solver_HybridizationExpansion.so triqs::mc_tools::mc_genericstd::complex<double, triqs::python_tools::improved_python_dict, triqs::mc_tools::Step::Metropolisstd::complex >::run(boost::function<bool ()()> const&) 0x10f [0x2b7fdcd17f7f]
/home/zanat/WIEN2k_11/BIN_triqsdmft/lib/python2.7/dist-packages/pytriqs/Solvers/HybridizationExpansion/_pytriqs_Solver_HybridizationExpansion.so MC_Hybridization_Matsu::solve(boost::python::api::object) 0x196 [0x2b7fdcd12176]
/home/zanat/WIEN2k_11/BIN_triqsdmft/lib/python2.7/dist-packages/pytriqs/Solvers/HybridizationExpansion/_pytriqs_Solver_HybridizationExpansion.so boost::python::objects::caller_py_function_impl<boost::python::detail::caller<void ()(boost::python::api::object), boost::python::default_call_policies, boost::mpl::vector2<void, boost::python::api::object> > >::operator()(object, object) 0x1c [0x2b7fdcd2e1ac]
/home/zanat/WIEN2k_11/BLD_triqsdmft/foreignlibs/boost/libboost_for_triqs.so boost::python::objects::function::call(object, object) const 0x2be [0x2b7fd4098f8e]
/home/zanat/WIEN2k_11/BLD_triqsdmft/foreignlibs/boost/libboost_for_triqs.so 0xf51e8 [0x2b7fd40991e8]
/home/zanat/WIEN2k_11/BLD_triqsdmft/foreignlibs/boost/libboost_for_triqs.so boost::python::detail::exception_handler::operator()(boost::function0 const&) const 0x43 [0x2b7fd4083833]
/home/zanat/WIEN2k_11/BIN_triqsdmft/lib/python2.7/dist-packages/pytriqs/Solvers/HybridizationExpansion/_pytriqs_Solver_HybridizationExpansion.so boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<H5::Exception ()(H5::Exception const&)>, boost::_bi::list3boost::arg<1, boost::arg<2>, boost::_bi::value<void ()(H5::Exception const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) 0x13 [0x2b7fdcd2dc23]
/home/zanat/WIEN2k_11/BLD_triqsdmft/foreignlibs/boost/libboost_for_triqs.so boost::python::detail::exception_handler::operator()(boost::function0 const&) const 0x23 [0x2b7fd4083813]
/home/zanat/WIEN2k_11/BIN_triqsdmft/lib/python2.7/dist-packages/pytriqs/boost/mpi.so boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<boost::mpi::python::object_without_skeleton, boost::mpi::python::translate_exceptionboost::mpi::python::object_without_skeleton >, boost::_bi::list3boost::arg<1, boost::arg<2>, boost::_bi::valueboost::mpi::python::translate_exception<boost::mpi::python::object_without_skeleton > > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) 0xf [0x2b7fd9754f2f]
/home/zanat/WIEN2k_11/BLD_triqsdmft/foreignlibs/boost/libboost_for_triqs.so boost::python::detail::exception_handler::operator()(boost::function0 const&) const 0x23 [0x2b7fd4083813]
/home/zanat/WIEN2k_11/BIN_triqsdmft/lib/python2.7/dist-packages/pytriqs/boost/mpi.so boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<boost::mpi::exception, boost::mpi::python::translate_exceptionboost::mpi::exception >, boost::_bi::list3boost::arg<1, boost::arg<2>, boost::_bi::valueboost::mpi::python::translate_exception<boost::mpi::exception > > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) 0xf [0x2b7fd974c45f]
/home/zanat/WIEN2k_11/BLD_triqsdmft/foreignlibs/boost/libboost_for_triqs.so boost::python::detail::exception_handler::operator()(boost::function0 const&) const 0x23 [0x2b7fd4083813]
/home/zanat/WIEN2k_11/BIN_triqsdmft/lib/python2.7/dist-packages/pytriqs/Base/GF_Local/_pytriqs_GF.so boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<std::string ()(std::string const&)>, boost::_bi::list3boost::arg<1, boost::arg<2>, boost::_bi::value<void (*)(std::string const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0 const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0 const&) 0x13 [0x2b7fd326ea73]
/home/zanat/WIEN2k_11/BLD_triqsdmft/foreignlibs/boost/libboost_for_triqs.so boost::python::handle_exception_impl(boost::function0) 0x29 [0x2b7fd40835d9]
/home/zanat/WIEN2k_11/BLD_triqsdmft/foreignlibs/boost/libboost_for_triqs.so 0xf66e4 [0x2b7fd409a6e4]
/usr/bin/python PyObject_Call 0x44 [0x45d864]
/usr/bin/python PyEval_EvalFrameEx 0x9be [0x496c4e]
/usr/bin/python PyEval_EvalCodeEx 0x6a5 [0x49d885]
/usr/bin/python PyEval_EvalFrameEx 0x802 [0x496a92]
/usr/bin/python PyEval_EvalCodeEx 0x145 [0x49d325]
/usr/bin/python PyEval_EvalCode 0x32 [0x4ecb02]
/usr/bin/python [0x4fdc74]
/usr/bin/python PyRun_FileExFlags 0x90 [0x42c182]
/usr/bin/python PyRun_SimpleFileExFlags 0x2dd [0x42cb4a]
/usr/bin/python Py_Main 0xac9 [0x418c9e]
/lib/x86_64-linux-gnu/libc.so.6 __libc_start_main 0xff [0x2b7fcf995eff]
/usr/bin/python [0x4c62b1]
Monte Carlo Error : the rate is not finite in move Insert3
forrtl: severe (24): end-of-file during read, unit 32, file /home/zanat/WIEN2k/Os_qdmft/Os_qdmft/Os_qdmft.qdmft
Problem reported by panaceamee: I am having a problem installing triqs too. The build is as shown below with the error "/usr/bin/ld: cannot find -lPYTHON_LIBRARY-FOUND" as shown towards the end. Please help advice me on what to do.
This time triqs is installed on a *NIX machine with downloaded boost. Building with icpc, linking to mkl.
This is CMakeCache.txt : git://gist.github.com/1355018.git
http://gist.github.com/1355018
(15:53) antipov@cousin ~/Downloads/triqs_build $ icpc -dumpversion
12.1.0
1. make
*Error:
Scanning dependencies of target boost_for_triqs
[ 1%] Building CXX object foreignlibs/boost/CMakeFiles/boost_for_triqs.dir/home/antipov/code/boost_1_47_src/libs/serialization/src/archive_exception.cpp.o
[ 1%] Building CXX object foreignlibs/boost/CMakeFiles/boost_for_triqs.dir/home/antipov/code/boost_1_47_src/libs/serialization/src/basic_archive.cpp.o
/home/antipov/code/boost_1_47_src/boost/type_traits/is_rvalue_reference.hpp(21): error: expected a ">"
BOOST_TT_AUX_BOOL_TRAIT_PARTIAL_SPEC1_1(typename T,is_rvalue_reference,T&&,true)
^
/home/antipov/code/boost_1_47_src/boost/type_traits/is_volatile.hpp(60): error: expected a ">"
struct is_volatile_rval_filter
^
/home/antipov/code/boost_1_47_src/boost/type_traits/remove_cv.hpp(44): error: expected a ">"
struct rvalue_ref_filter_rem_cv
^
compilation aborted for /home/antipov/code/boost_1_47_src/libs/serialization/src/basic_archive.cpp (code 2)
make[2]: *** [foreignlibs/boost/CMakeFiles/boost_for_triqs.dir/home/antipov/code/boost_1_47_src/libs/serialization/src/basic_archive.cpp.o] Error 2
make[1]: *** [foreignlibs/boost/CMakeFiles/boost_for_triqs.dir/all] Error 2
make: *** [all] Error 2
On Ubuntu 11.10 ;
In file included from /home/parcolle/triqs_source/triqs/arrays/h5/array_stack.hpp:24:0,
from /home/parcolle/triqs_source/pytriqs/Solvers/HybridizationExpansion/C++/MC.cpp:24:
/home/parcolle/triqs_source/triqs/arrays/h5/./common.hpp: In function ‘bool triqs::arrays::h5::exists(FileGroupType, std::string) [with FileGroupType = H5::H5File, std::string = std::basic_string]’:
/home/parcolle/triqs_source/triqs/arrays/h5/array_stack.hpp:69:7: instantiated from ‘triqs::arrays::h5::array_stack<T, dim>::array_stack(FileGroupType, const string&, const triqs::arrays::mini_vector<long unsigned int, dim>&, size_t) [with FileGroupType = H5::H5File, T = double, long unsigned int dim = 3ul, std::string = std::basic_string, size_t = long unsigned int]’
/home/parcolle/triqs_source/pytriqs/Solvers/HybridizationExpansion/C++/Measures_Legendre_allseries.hpp:60:46: instantiated from here
/home/parcolle/triqs_source/triqs/arrays/h5/./common.hpp:146:125: warning: passing NULL to non-pointer argument 3 of ‘htri_t H5Lexists(hid_t, const char*, hid_t)’ [-Wconversion-null]
In the for loop of the example of the documentation of h5::array_stack, variable 'init' is not declared.
make systematically calls sphinx again after the change in the doc
Hi Everyone,
Installed triqs on a yet another cluster machine. ( MacOS, Darwin kernel 10.8.0 )
Running a following scipt:
from pytriqs.Base.GF_Local import * from pytriqs.Base.Archive import * import pytriqs.Base.Utility.MPI as MPI
Getting a following error now:
Traceback (most recent call last):
File "MPITest.py", line 3, in
import pytriqs.Base.Utility.MPI as MPI
File "/Volumes/Users/antipov/_local/lib/python2.6/site-packages/pytriqs/Base/Utility/MPI.py", line 30, in
from pytriqs.boost.mpi import *
File "/Volumes/Users/antipov/_local/lib/python2.6/site-packages/pytriqs/boost/__init__.py", line 9, in
import mpi
AttributeError: 'NoneType' object attribute '__doc__' is read-only
The error dissapears if I just leave import pytriqs.Base.Utility.MPI as MPI line.
Thus I receive the same error for any tutorial scripts, e.g. aim.py from http://ipht.cea.fr/triqs/doc/user_manual/solvers/aim.html#aim
Any good ideas on that?
Installing (on Mac OS 10.6.8 quad-core machine w/ Python 2.6.6) smoothly up to 'make -j4 && make test', which outputs:
The following tests FAILED:
73 - test_converter (Failed)
82 - SingleSiteBethe (Failed)
83 - CDMFT_4_sites-v2 (Failed)
Errors while running CTest
make: *** [test] Error 8
Do you guys have an idea what might be going wrong here?
detmanip does not work in Fortran mode.
Issue with the 1d triqs::vector in fortran after slicing.
Hi, everyone.
New problem with compilation. I have successfully passed boost issue (had to switch to another implementation of mpi (mpich on g++) due to lack of -fPIC though).
Now with g++-4.5
CMakeCache: http://gist.github.com/1356635
The new error is:
Scanning dependencies of target triqs [ 45%] Building CXX object triqs/CMakeFiles/triqs.dir/mc_tools/MersenneRNG.cpp.o [ 45%] Building CXX object triqs/CMakeFiles/triqs.dir/mc_tools/polymorphic_random_generator.cpp.o [ 46%] Building CXX object triqs/CMakeFiles/triqs.dir/mc_tools/call_backs.cpp.o [ 46%] Building CXX object triqs/CMakeFiles/triqs.dir/python_tools/python_interpreter.cpp.o [ 47%] Building CXX object triqs/CMakeFiles/triqs.dir/deprecated/utility/my_mpi.cpp.o In file included from /home/antipov/code/triqs/triqs/deprecated/utility/my_mpi.cpp:23:0: /home/antipov/code/triqs/triqs/deprecated/utility/my_mpi.hpp: In function ‘void myMPI_bcast(std::string&)’: /home/antipov/code/triqs/triqs/deprecated/utility/my_mpi.hpp:294:82: error: ‘strcpy’ was not declared in this scope /home/antipov/code/triqs/triqs/deprecated/utility/my_mpi.cpp: In function ‘std::ostream& REPORT_PTR()’: /home/antipov/code/triqs/triqs/deprecated/utility/my_mpi.cpp:38:7: error: ‘cout’ was not declared in this scope make[2]: *** [triqs/CMakeFiles/triqs.dir/deprecated/utility/my_mpi.cpp.o] Error 1 make[1]: *** [triqs/CMakeFiles/triqs.dir/all] Error 2 make: *** [all] Error 2
I suppose it's some wrong config that made the compilation of a deprecated file being required.
Best regards to the authors,
Andrey.
P.S. Sorry for flooding with issues
It would be good to update the doc of the installation and show how to install from the free version of EPD. Basically:
Hi,
i was trying to install triqs in Fedora(Linux).
i was using free version of EPD.
I have compiled with this following command ..
cmake /home/saurabh/Documents/triqs/triqs_sources -DBOOST_SOURCE_DIR=/home/saurabh/Documents/triqs/boost_source/boost_1_47_0 -DCMAKE_INSTALL_PREFIX=/home/saurabh/Documents/triqs/triqs_install -DPYTHON_INTERPRETER=/home/saurabh/Documents/triqs/epd_install/bin/python
But unable to install it .
-- Installation directory is /home/saurabh/Documents/triqs/triqs_install
-- DYNAMIC Built
-- CMAKE_GENERATOR: Unix Makefiles
-- CMAKE_CL_64:
-- CMAKE_SIZEOF_VOID_P: 8
-- CMAKE_GENERATOR: Unix Makefiles
-- CMAKE_CL_64:
-- Build type: Release
-- MPI compiler was /usr/lib64/mpich2/bin/mpicxx
-- Falling back to CMake provied LAPACK/BLAS detection.
-- A library with BLAS API found.
-- A library with BLAS API found.
-- A library with LAPACK API found.
-- Python interpreter /home/saurabh/Documents/triqs/epd_install/bin/python
-- Python interpreter ok : version 2.7.2
-- PYTHON_INCLUDE_DIRS = /home/saurabh/Documents/triqs/epd_install/include/python2.7
-- PYTHON_NUMPY_INCLUDE_DIR = /home/saurabh/Documents/triqs/epd_install/lib/python2.7/site-packages/numpy/core/include
-- PYTHON_SITE_PKG = /home/saurabh/Documents/triqs/epd_install/lib/python2.7/site-packages
-- PYTHON_LIBRARY = /home/saurabh/Documents/triqs/epd_install/lib/python2.7/config/libpython2.7.a
-- PYTHON_EXTRA_LIBS =-lpthread -ldl -lutil
-- PYTHON_LINK_FOR_SHARED = -Xlinker -export-dynamic
-- Numpy include in /home/saurabh/Documents/triqs/epd_install/lib/python2.7/site-packages/numpy/core/include
-- HDF5_LIBRARIES = debug;/usr/lib64/libhdf5_hl.so;/usr/lib64/libhdf5.so;/usr/lib64/libz.so;/usr/lib64/libm.so;/usr/lib64/libhdf5_cpp.so;optimized;/usr/lib64/libhdf5_hl.so;/usr/lib64/libhdf5.so;/usr/lib64/libz.so;/usr/lib64/libm.so;/usr/lib64/libhdf5_cpp.so
-- Triqs general lib detection ( but boost )
-- Adding definitions -fPIC -D_LARGEFILE_SOURCE;-D_LARGEFILE64_SOURCE;-D_BSD_SOURCE;-D_FORTIFY_SOURCE=2;-D_LARGEFILE_SOURCE;-D_LARGEFILE64_SOURCE;-D_BSD_SOURCE;-D_FORTIFY_SOURCE=2
-- Adding include /usr/include/mpich2-x86_64;/usr/include;/home/saurabh/Documents/triqs/epd_install/include/python2.7;/home/saurabh/Documents/triqs/epd_install/lib/python2.7/site-packages/numpy/core/include
-- Adding libs /usr/lib64/mpich2/lib/libmpichcxx.so;/usr/lib64/mpich2/lib/libmpich.so;/usr/lib64/liblapack.so;/usr/lib64/libblas.so;debug;/usr/lib64/libhdf5_hl.so;/usr/lib64/libhdf5.so;/usr/lib64/libz.so;/usr/lib64/libm.so;/usr/lib64/libhdf5_cpp.so;optimized;/usr/lib64/libhdf5_hl.so;/usr/lib64/libhdf5.so;/usr/lib64/libz.so;/usr/lib64/libm.so;/usr/lib64/libhdf5_cpp.so;/home/saurabh/Documents/triqs/epd_install/lib/python2.7/config/libpython2.7.a
-- Adding library dir
-- Python modules will be installed in /home/saurabh/Documents/triqs/triqs_install/lib/python2.7/site-packages/pytriqs
-- I am using boost sources from /home/saurabh/Documents/triqs/boost_source/boost_1_47_0 to compile a mini boost_for_triqs
-- BOOST_INCLUDE_DIR = /home/saurabh/Documents/triqs/boost_source/boost_1_47_0
-- You are not using mkl
CMake Error at cmake/FindCBLAS.cmake:42 (MESSAGE):
I can not find cblas !
Call Stack (most recent call first):
CMakeLists.txt:70 (find_package)
-- Configuring incomplete, errors occurred!
Please help me.
Hi all!
Here's a piece of code (from the same example aim.py)
from pytriqs.Base.GF_Local import *
from pytriqs.Solvers.Operators import *
from pytriqs.Solvers.HybridizationExpansion import Solver
from pytriqs.Base.Plot.MatplotlibInterface import oplot
from matplotlib.pyplot import show, draw
from pytriqs.Base.Archive import *
import numpy
Input = HDF_Archive("input.h5")
# The impurity solver
S = Solver(Beta = Input["Beta"], # inverse temperature
GFstruct = [ ('up',[1]), ('down',[1]) ], # Structure of the Green's function
H_Local = Input["U"]* N('up',1) * N('down',1), # Local Hamiltonian
Quantum_Numbers = { # Quantum Numbers
'Nup' : N('up',1), # (operators commuting with H_Local)
'Ndown' : N('down',1) },
N_Frequencies_Accumulated = int(Input["N_Matsubaras"]),
N_Cycles = 500000, # Number of QMC cycles
Length_Cycle = 20000, # Length of one cycle
N_Warmup_Cycles = 10000, # Warmup cycles
Legendre_Accumulation = True,
N_Legendre_Coeffs = 80, # Number of Legendre coefficients
Random_Generator_Name = 'mt19937', # Name of the random number generator
#Use_Segment_Picture = False, # Use the segment picture
Measured_Operators = { # Operators to be averaged
'Nimp' : N('up',1)+N('down',1) },
Global_Moves = [ # Global move in the QMC
(0.05, lambda (a,alpha,dag) : ( {'up':'down','down':'up'}[a],alpha,dag ) ) ],
)
G0 = GFBloc_ImFreq(Indices = [1], NFreqMatsubara=Input['N_Matsubaras'], Beta = Input['Beta'])
G0 <<= Input['G0'] #This works!
print len(G0.x_data_view(flatten_y = True )[1]) # The len is 200
for name, block in S.G0:
print len(block.x_data_view(flatten_y = True )[1]) # The len is 1025
print name
block <<= G0 #This doesn't work
The input is obtained in a following way:
from pytriqs.Base.GF_Local import *
from pytriqs.Solvers.Operators import *
from pytriqs.Base.Archive import *
import numpy
D, V, U = 1.0, 0.5, 4.0
e_f, Beta = -U/2.0, 10
N_Matsubaras = 200
Delta = GFBloc_ImFreq(Indices = [1], NFreqMatsubara=N_Matsubaras, Beta = Beta)
Delta <<= V**2*Wilson(D)
G0 = GFBloc_ImFreq(Indices = [1], NFreqMatsubara=N_Matsubaras, Beta = Beta)
G0 <<= inverse( iOmega_n - e_f - Delta )
Input = HDF_Archive("input.h5",'w')
Input["G0"] = G0
Input["U"]=U
Input["Beta"]=Beta
Input["N_Matsubaras"]=N_Matsubaras
I get the error "Mesh are not the same", which is indeed true, since solver implies a particular number of Matsubaras (1025). Is there a way to provide less?
Feature request: put somewhere the roadmap )
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