[DFTB-Plus-User] Error allocating memory

[Pasan Henadeera]

Dear developers and users,

In order to check if DFTB+ can be used to evaluate the system sizes
relevant for my study within the available computational resources, I tried
to do a bulk simulation for Si. Initially I started with 64 atoms, which
went perfectly well. However when I increased my system size to 1728 atoms,
I received the following error message

In file
'/mnt/scratch/aradi/gnu-mkl/dftb+/src/dftbp/dftbplus/initprogram.f90',
around line 4665: Error allocating 294107480064 bytes: Cannot allocate
memory

Does this happen because I am working with the executable without compiling
DFTB+ on my system. Also, I have only 32GB of memory in my system.



Thank you
-- 
Best regards
Pasan Henadeera
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