USPEX 10.6 update causes Example 13 to fail (works in 10.5)

[团山通讯]

Dear USPEX Development and Maintenance Team,

I hope this message finds you well. I would like to report a potential issue I have encountered with version 10.6. When running Example 13, which does not require any external code, the following error occurs:

PostVMInit failed to initialize com.mathworks.mwswing.MJStartupForDesktop

PostVMInit failed to initialize com.mathworks.mwswing.MJStartup

=========================================================

   USPEX  v10.6   |   Universal Structure Predictor     

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

   Evolutionary crystal structure prediction            

   Oganov's Lab                                         

                                                         =========================================================

 

Error using python_uspex (line 91)

System error: Traceback (most recent call last):

  File "/software/USPEX106/application/archive/src/FunctionFolder/random_topology.py", line 3, in <module>

    from randomTopology import generate_structure

ImportError: /software/USPEX106/application/archive/src/FunctionFolder/randomTopology.abi3.so: undefined symbol: PyCMethod_New

 

Command executed: python3 -W ignore /software/USPEX106/application/archive/src/FunctionFolder/random_topology.py 0 1090.0055 NONE 3 16  16  64

 

Error in random_topology (line 10)

 

Error in Random_Init_300 (line 52)

 

Error in initialize_POP_STRUC_300 (line 72)

 

Error in Initialize (line 46)

 

Error in Start (line 46)

 

Error in USPEX (line 31)

 

MATLAB:python:ExecutionError

 

This error appears under two distinct scenarios:

1）After updating from version 10.5 to 10.6 using the USPEX -u command;

2）After a fresh installation directly from the USPEX_v10.6.tar.gz package.

Other examples that rely on external optimization codes appear to run without any issues.

To rule out local configuration problems, I performed a clean reinstall: I removed version 10.6, reinstalled version 10.5, and verified that Example 13 ran successfully before the update. However, after updating to 10.6 again, the same error reappeared.

I am unsure whether this is an actual bug or a configuration-related issue on my end. I would greatly appreciate your insight or guidance on how to resolve this.

Thank you for your time and for your continued work on USPEX.

Best regards,

 

Wan Li