The following error occurred during castep running.  

Perhaps the following error occurred because this job requires a lot of memory.

But this Workstation is equipped with 64GB of RAM.

What's the problem?

Is there something wrong with my workstation setup?

If anyone knows please help.

-------------------------------
Symmetry and Constraints
-------------------------------
 
Maximum deviation from symmetry = 0.00000 ANG
 
Number of symmetry operations = 1
There are no ionic constraints specified or generated for this cell
Point group of crystal = 1: C1, 1, 1
Space group of crystal = 187: P-6m2, P -6 2
 
Set iprint > 1 for details on symmetry rotations/translations
 
Centre of mass is NOT constrained
 
Number of cell constraints= 6
Cell constraints are: 0 0 0 0 0 0
 
External pressure/stress (GPa)
0.00000 0.00000 0.00000
0.00000 0.00000
0.00000
 
+---------------- MEMORY AND SCRATCH DISK ESTIMATES PER PROCESS --------------+
| Memory Disk |
| Baseline code, static data and system overhead 0.0 MB 0.0 MB |
| BLAS internal memory storage 0.0 MB 0.0 MB |
| Model and support data 6483.6 MB 23941.8 MB |
| Electronic energy minimisation requirements 9468.6 MB 0.0 MB |
| Force calculation requirements 710.2 MB 0.0 MB |
| ----------------------------- |
| Approx. total storage required per process 15952.3 MB 23941.8 MB |
| |
| Requirements will fluctuate during execution and may exceed these estimates |
+-----------------------------------------------------------------------------+
Calculating approximate eigenstates for fixed initial Hamiltonian
Cut-off for approx. calculation is 89.988 eV
forrtl: severe (170): Program Exception - stack overflow
Image PC Routine Line Source  
castepexe.exe 00007FF7304DCE88 Unknown Unknown Unknown
castepexe.exe 00007FF72EA4B9A8 Unknown Unknown Unknown
castepexe.exe 00007FF72E69F16F Unknown Unknown Unknown
castepexe.exe 00007FF72E6AFB99 Unknown Unknown Unknown
castepexe.exe 00007FF72DAB2B16 Unknown Unknown Unknown
castepexe.exe 00007FF72A8CFCBD Unknown Unknown Unknown
castepexe.exe 00007FF72A945951 Unknown Unknown Unknown
castepexe.exe 00007FF72A8950DB Unknown Unknown Unknown
castepexe.exe 00007FF7304C14F2 Unknown Unknown Unknown
castepexe.exe 00007FF7304DD0A8 Unknown Unknown Unknown
KERNEL32.DLL 00007FF8953F7034 Unknown Unknown Unknown
ntdll.dll 00007FF895682651 Unknown Unknown Unknown
forrtl: severe (170): Program Exception - stack overflow
Image PC Routine Line Source  
castepexe.exe 00007FF7304DCE88 Unknown Unknown Unknown
castepexe.exe 00007FF72EA4B9A8 Unknown Unknown Unknown
castepexe.exe 00007FF72E69F16F Unknown Unknown Unknown
castepexe.exe 00007FF72E6AFB99 Unknown Unknown Unknown
castepexe.exe 00007FF72DAB2B16 Unknown Unknown Unknown
castepexe.exe 00007FF72A8CFCBD Unknown Unknown Unknown
castepexe.exe 00007FF72A945951 Unknown Unknown Unknown
castepexe.exe 00007FF72A8950DB Unknown Unknown Unknown
castepexe.exe 00007FF7304C14F2 Unknown Unknown Unknown
castepexe.exe 00007FF7304DD0A8 Unknown Unknown Unknown
KERNEL32.DLL 00007FF8953F7034 Unknown Unknown Unknown
ntdll.dll 00007FF895682651 Unknown Unknown Unknown