Compiling error(s)

[Zihan TAN]

Dear Espresso users,

I have been trying to run simulations with Espresso code in our super-computing center for this week. However, by far, I still haven't succeeded yet. It would be highly appreciated if you can help me with this issue.

It appears that Cmake can not find the correct python (version 3.6.8) headers. I post the error message below:

$ cmake ..

-- CMake version: 3.14.0

-- Config file: /p/project/jics30/espresso/src/config/myconfig-default.hpp

-- Found PythonInterp: /usr/bin/python3 (Required is at least version "3.3") 

-- Found Cython: /usr/local/software/jureca/Stages/2019a/software/Python/3.6.8-GCCcore-8.3.0/bin/cython (found suitable version "0.29.6", minimum required is "0.23") 

/usr/bin/python3: symbol lookup error: /usr/bin/python3: undefined symbol: _Py_LegacyLocaleDetected

/usr/bin/python3: symbol lookup error: /usr/bin/python3: undefined symbol: _Py_LegacyLocaleDetected

CMake Error at /usr/local/software/jureca/Stages/2019a/software/CMake/3.14.0-GCCcore-8.3.0/share/cmake-3.14/Modules/FindPackageHandleStandardArgs.cmake:137 (message):

  Could NOT find PythonHeaders (missing: PYTHON_INCLUDE_DIRS PYTHON_INSTDIR)

Call Stack (most recent call first):

  /usr/local/software/jureca/Stages/2019a/software/CMake/3.14.0-GCCcore-8.3.0/share/cmake-3.14/Modules/FindPackageHandleStandardArgs.cmake:378 (_FPHSA_FAILURE_MESSAGE)

  cmake/FindPythonHeaders.cmake:37 (FIND_PACKAGE_HANDLE_STANDARD_ARGS)

  CMakeLists.txt:137 (find_package)

-- Configuring incomplete, errors occurred!

See also "/p/project/jics30/espresso/build/CMakeFiles/CMakeOutput.log".

Thank you very much for your help!

Best,

Zihan

---

Dr. Zihan Tan

Biomakromolekulare Systeme und Prozesse (IBI-4),

Institut für Biologische Informationsprozesse,
Forschungszentrum Jülich GmbH, Germany

Phone: +49 2461 61-2149

email: z.tan@fz-juelich.de OR tzihankel@gmail.com

Website: https://scholar.google.de/citations?user=ecdCUpcAAAAJ&hl=de