[ESPResSo-users] Error in python code checks

[Michael Klatt]

Dear all,

I am new user of ESPResSo. Unfortunately, I can only run the TCL 
scripts, but pypresso causes errors that I cannot resolve on my own.

Is there a TCL counterpart of the python minimize_energy functionality?
If not may I ask for your help to resolve my problems with pypresso?
Thank you very much!

In the following, I summarize the error reports (full error reports are 
included in the postscript).

I am using Xubuntu 16.04. Neither the latest release (3.3.1) of ESPResSo 
nor cloning the python branch on GitHub worked. Resolving the problems 
for any of the two would suffice.

-------------------------------------------------------------------------

(1) When I compiled the latest release (3.3.1), "import espressomd" 
causes no problems, but "print(espressomd.features())" throws an error:
Traceback (most recent call last):
   File "<stdin>", line 1, in <module>
AttributeError: 'module' object has no attribute 'features'

-------------------------------------------------------------------------

(2) Last week, I have cloned the python branch of ESPResSo and followed 
the instructions for installation from the ESPResSo documentation.

"make install" was completed without errors.
However, "make check" reported a problem:
undefined reference to `boost::mpi::communicator::operator int() const'

When I import espressomd in "pypresso", the following error is reported:
libcluster_analysis.so.4: undefined symbol: 
_ZNK5boost3mpi12communicatorcviEv

-------------------------------------------------------------------------

Thank you very much once more for your help!

Best regards,

Michael

-------------------------------------------------------------------------

P.S. Error when invoking code checks:

$ make check
[  2%] Built target myconfig
[  2%] Built target check_myconfig
[  2%] Built target EspressoConfig
[  2%] Built target link_cell_test
[  2%] Built target Cache_test
[  2%] Built target None_test
[  2%] Linking CXX executable all_compare_test
CMakeFiles/all_compare_test.dir/all_compare_test.cpp.o: In function 
`bool Utils::Mpi::all_compare<int>(boost::mpi::communicator const&, int 
const&)':
all_compare_test.cpp:(.text._ZN5Utils3Mpi11all_compareIiEEbRKN5boost3mpi12communicatorERKT_[_ZN5Utils3Mpi11all_compareIiEEbRKN5boost3mpi12communicatorERKT_]+0x3e): 
undefined reference to `boost::mpi::communicator::operator int() const'
all_compare_test.cpp:(.text._ZN5Utils3Mpi11all_compareIiEEbRKN5boost3mpi12communicatorERKT_[_ZN5Utils3Mpi11all_compareIiEEbRKN5boost3mpi12communicatorERKT_]+0xa2): 
undefined reference to `boost::mpi::communicator::operator int() const'
collect2: error: ld returned 1 exit status
src/core/unit_tests/CMakeFiles/all_compare_test.dir/build.make:121: 
recipe for target 'src/core/unit_tests/all_compare_test' failed
make[3]: *** [src/core/unit_tests/all_compare_test] Error 1
CMakeFiles/Makefile2:1510: recipe for target 
'src/core/unit_tests/CMakeFiles/all_compare_test.dir/all' failed
make[2]: *** [src/core/unit_tests/CMakeFiles/all_compare_test.dir/all] 
Error 2
CMakeFiles/Makefile2:107: recipe for target 'CMakeFiles/check.dir/rule' 
failed
make[1]: *** [CMakeFiles/check.dir/rule] Error 2
Makefile:186: recipe for target 'check' failed
make: *** [check] Error 2

-------------------------------------------------------------------------

P.P.S. Error when importing espressomd in "pypresso":

Traceback (most recent call last):
   File "<stdin>", line 1, in <module>
   File "/usr/local/lib/python2.7/site-packages/espressomd/__init__.py", 
line 23, in <module>
     import espressomd._init
ImportError: /home/mklatt/[...path to 
espresso...]/espresso/build/src/core/cluster_analysis/libcluster_analysis.so.4: 
undefined symbol: _ZNK5boost3mpi12communicatorcviEv


-- 
Karlsruhe Institute of Technology (KIT)
Institute of Stochastics

Englerstraße 2
76131 Karlsruhe, Germany

Phone: +49 721 608 46688
E-mail: address@hidden
Web: http://mklatt.org

KIT --- The Research University in the Helmholtz Association

--
Karlsruhe Institute of Technology (KIT)
Institute of Stochastics

Englerstraße 2
76131 Karlsruhe, Germany

Phone: +49 721 608 46688
E-mail: address@hidden
Web: http://www.math.kit.edu/stoch/~klatt/en

KIT --- The Research University in the Helmholtz Association