[CP2K-user] error (v. 8.2, windows)

[brhr]

"SIGSEGV: Segmentation fault - invalid memory reference" can be caused by 
insufficient stack size.
The stack size of the binary was set to 4 MB as far as I remember.
This may be insufficient depending on the type of calculation.

This type of the error can be caused by various reasons in general.
I can't tell you the exact reason for the error from the provided 
information.

When I ran, the calculation was a littele more proceeded than your result.
(I stopped halfway because of time constraints)

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

 DBCSR| CPU Multiplication driver                                          
 BLAS
 DBCSR| Multrec recursion limit                                            
  512
 DBCSR| Multiplication stack size                                          
 1000
 DBCSR| Maximum elements for images                                    
UNLIMITED
 DBCSR| Multiplicative factor virtual images                                
   1
 DBCSR| Use multiplication densification                                    
   T
 DBCSR| Multiplication size stacks                                          
   3
 DBCSR| Use memory pool for CPU allocation                                  
   F
 DBCSR| OMP: Current number of threads                                      
   6
 DBCSR| OMP: Max number of threads                                          
   6
 DBCSR| Split modifier for TAS multiplication algorithm                  
1.0E+00


  **** **** ******  **  PROGRAM STARTED AT               2021-07-22 
20:03:03.955
 ***** ** ***  *** **   PROGRAM STARTED ON                      
 DESKTOP-2FK7NUA
 **    ****   ******    PROGRAM STARTED BY                                  
brhr
 ***** **    ** ** **   PROGRAM PROCESS ID                                  
 134
  **** **  *******  **  PROGRAM STARTED IN                                  
   /

 CP2K| version string:                                          CP2K 
version 8.1
 CP2K| source code revision number:                                  
git:0b61f2f
 CP2K| cp2kflags: omp libint fftw3 libxc pexsi quip spglib sirius libvori 
libbqb
 CP2K| is freely available from                            
https://www.cp2k.org/
 CP2K| Program compiled at                                  08 Feb 2021 
19:45:34
 CP2K| Program compiled on                                            
 Lenovo-PC
 CP2K| Program compiled for      
Cygwin-i686-gfortran-FFTW3-LIBINT2-SIRIUS-PEXSI
 CP2K| Data directory path                              
/home/user/cp2k-8.1/data
 CP2K| Input file name                          
CP2K_diamond_2x2_DZVP-MOLOPT.inp

 GLOBAL| Force Environment number                                          
    1
 GLOBAL| Basis set file name                                        
BASIS_MOLOPT
 GLOBAL| Potential file name                                      
GTH_POTENTIALS
 GLOBAL| MM Potential file name                                    
 MM_POTENTIAL
 GLOBAL| Coordinate file name                                      
__STD_INPUT__
 GLOBAL| Method name                                                        
CP2K
 GLOBAL| Project name                                                    
diamond
 GLOBAL| Preferred FFT library                                            
 FFTW3
 GLOBAL| Preferred diagonalization lib.                                    
   SL
 GLOBAL| Run type                                                        
 ENERGY
 GLOBAL| All-to-all communication in single precision                      
    F
 GLOBAL| FFTs using library dependent lengths                              
    F
 GLOBAL| Global print level                                                
  LOW
 GLOBAL| MPI I/O enabled                                                    
   T
 GLOBAL| Total number of message passing processes                          
   1
 GLOBAL| Number of threads for this process                                
    6
 GLOBAL| This output is from process                                        
   0
 GLOBAL| CPU model name                  Intel(R) Core(TM) i5-9400 CPU @ 
2.90GHz

 MEMORY| system memory details [Kb]
 MEMORY|                        rank 0           min           max      
 average
 MEMORY| MemTotal              8284068       8284068       8284068      
 8284068
 MEMORY| MemFree               3546204       3546204       3546204      
 3546204
 MEMORY| Buffers                     0             0             0          
   0
 MEMORY| Cached                      0             0             0          
   0
 MEMORY| Slab                        0             0             0          
   0
 MEMORY| SReclaimable                0             0             0          
   0
 MEMORY| MemLikelyFree         3546204       3546204       3546204      
 3546204


 GENERATE|  Preliminary Number of Bonds generated:                          
   0
 GENERATE|  Achieved consistency in connectivity generation.

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  **
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  **
 **                                                                        
   **
 **                                                ... make the atoms 
dance   **
 **                                                                        
   **
 **            Copyright (C) by CP2K developers group (2000 - 2020)        
   **
 **                      J. Chem. Phys. 152, 194103 (2020)                  
  **
 **                                                                        
   **
 *******************************************************************************


 TOTAL NUMBERS AND MAXIMUM NUMBERS

  Total number of            - Atomic kinds:                                
   1
                             - Atoms:                                      
   64
                             - Shell sets:                                  
  64
                             - Shells:                                      
 320
                             - Primitive Cartesian functions:              
  448
                             - Cartesian basis functions:                  
  896
                             - Spherical basis functions:                  
  832

  Maximum angular momentum of- Orbital basis functions:                    
    2
                             - Local part of the GTH pseudopotential:      
    2
                             - Non-local part of the GTH pseudopotential:  
    0


 SCF PARAMETERS         Density guess:                                    
ATOMIC
                        
--------------------------------------------------------
                        max_scf:                                            
 100
                        max_scf_history:                                    
   0
                        max_diis:                                          
    4
                        
--------------------------------------------------------
                        eps_scf:                                        
1.00E-05
                        eps_scf_history:                                
0.00E+00
                        eps_diis:                                      
 1.00E-01
                        eps_eigval:                                    
 1.00E-05
                        
--------------------------------------------------------
                        level_shift [a.u.]:                                
 0.00
                        
--------------------------------------------------------
                        Mixing method:                          
 DIRECT_P_MIXING
                        
--------------------------------------------------------
                        No outer SCF

 Number of electrons:                                                      
  256
 Number of occupied orbitals:                                              
  128
 Number of molecular orbitals:                                              
 128

 Number of orbital functions:                                              
  832
 Number of independent orbital functions:                                  
  832

 Extrapolation method: initial_guess


 SCF WAVEFUNCTION OPTIMIZATION

  Step     Update method      Time    Convergence         Total energy    
Change
  
------------------------------------------------------------------------------
---abort by Ctrl+C


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