Dear all,
I am having a problem when I am running a scf calculation for a 72-atom
supercell of Carbon grain boundaries. The calculations start and then after a
few minutes stop with the following error:
Traceback: not available, compile with -ftrace=frame or -ftrace=fullOperating
system error: Cannot allocate memory
Memory allocation failed
on my desktop at work. I have the espresso-4.2 there. On my laptop at home
(where I have downloaded the latest espresso-4.3.2 version). Now I am getting
the error :
operating system error: cannot allocate memoryout of memory
Can anyone tell me what is going on? I am not sure if it is really a memory
problem or something else?
Thanks
Elie MoujaesUniversity of NottinghamNG7 2RDUK
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