Error in Geometry Optimization


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Just Got Here
Edoapra, thank for your reply.

I tried to put this line at the beginning of the input file

memory 3200 mb

but I got

MA error: MA_init: could not allocate 1677721808 bytes

When I use 'memory 1024 mb' the program works but failed on structures with more number of atoms (about 100-120) with the same errors.

In my /proc/meminfo I found that

MemTotal: 36950988 kB

Should I increase the number of CPUs or is there another problem?

Natalia.