USPEX hangs when starting a new generation

[Hashan93]

Hi All,

New user here. I am having a problem where USPEX 'hangs up' while in the middle of generating a new set of structures (the program terminates as well from what I see). Is there a solution to this? 

I have tried running with a higher memory and restarting, but it doesn't seem to work. It worked okay for other calculations I have tried.

Of the errors that I get when I dump the output is:

/bin/bash: synclient: command not found
*********************************************************
*                                                       *
  _|    _|     _|_|_|   _|_|_|     _|_|_|_|   _|      _|
  _|    _|   _|         _|    _|   _|           _|  _|
  _|    _|     _|_|     _|_|_|     _|_|_|         _|
  _|    _|         _|   _|         _|           _|  _|
    _|_|     _|_|_|     _|         _|_|_|_|   _|      _|
*                                                       *
** USPEX v10.5.0                         Oganov's Lab! **
*********************************************************

/expanse/lustre/projects/sbi121/mpeiris1/2.Sn-Bi_Project/4.USPEX_Work/1.Testing/111/Sn_Bi/3/results1/generation1
This Calculations has been picked up from an older calculation
status = Local optimisation finished

Structure 1 generated by heredity
Structure 2 generated by heredity
Structure 3 generated by heredity
Structure 4 generated by heredity
Structure 5 generated by heredity
Structure 6 generated by heredity
Structure 7 generated by heredity
Structure 8 generated by heredity
Structure 9 generated by heredity
Structure 10 generated by heredity
Structure 11 generated by heredity
Structure 12 generated by heredity
Structure 13 generated by heredity
Structure 14 generated by heredity
Structure 15 generated by heredity
Structure 16 built with the symmetry group 215 (P-43m) , composition 22   1
Structure 17 built with the symmetry group 156 (P3m1) , composition 12  11
Structure 18 built with the symmetry group 216 (F-43m) , composition 25   4
Structure 19 built with the symmetry group 75 (P4) , composition 15  16
Structure 20 built with the symmetry group 168 (P6) , composition 2  15
Structure 21 built with the symmetry group 2 (P-1) , composition 11   6
Structure 22 built with the topology 2018 , composition 11   5
Structure 23 built with the topology 1951 , composition 19  12
Structure 24 built with the topology 1675 , composition 6  7
Structure 25 built with the topology 2109 , composition 0  31
Structure 26 built with the topology 704 , composition 14  11
Structure 27 generated by permutation
Structure 28 generated by permutation
Structure 29 generated by permutation
Structure 30 generated by transmutation
Structure 31 generated by transmutation
Structure 32 generated by transmutation

Error using eig
Input to EIG must not contain NaN or Inf.
Error in calcSoftModes (line 66)
Error in calcSoftModes_varcomp (line 67)
Error in SoftModeMutation_301 (line 14)
Error in EA_301 (line 140)
Error in Start (line 64)
Error in USPEX (line 39)
MATLAB:eig:matrixWithNaNInf

The results2 folder that is created while restarting is also attached.

Thank you for a ny feedback!

Regards,

Hashan

[Ziqi Cui]

Hi,

I have the same issue now. Have you worked it out?