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program terminates after few steps

Posted: Wed Mar 09, 2011 5:29 am
by Isha
hi all ..........
I am a new VASP user. My program terminates itself without relaxing after a few steps. And when I take large no. of atoms like 80 or more the program does not start at all and show error like memory allocation .......
What is the program ? has anybody any idea?

program terminates after few steps

Posted: Wed Mar 09, 2011 3:41 pm
by admin
you seem to have too little memory to run large jobs:
please either use more parallel nodes,
or reduce the precision, or the k-mesh density to make the run less memory-demanding