program terminates after few steps

Problems running VASP: crashes, internal errors, "wrong" results.


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Isha

program terminates after few steps

#1 Post by Isha » Wed Mar 09, 2011 5:29 am

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?
Last edited by Isha on Wed Mar 09, 2011 5:29 am, edited 1 time in total.

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program terminates after few steps

#2 Post by admin » Wed Mar 09, 2011 3:41 pm

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
Last edited by admin on Wed Mar 09, 2011 3:41 pm, edited 1 time in total.

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