QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: zdhlover on October 25, 2009, 05:57

Title: How can I solve the problem about geometric_constraints ?
Post by: zdhlover on October 25, 2009, 05:57

I have build a two-probe system about Nanotube-gnr junctions ,and I have been optimized the electrode and the GNR separately .But when I optimize the two-probe constructure, the error about the geometric_constraints appears whenever the geometric_constraints is () or (0,1,)(the error message ---
file............line  in ?
geometric_constraints = ( )
ATKError: bad allocation

the append file is the script which has no elements and coordinates

How can I solve this problem ? Thanks a lot!

Title: Re: How can I solve the problem about geometric_constraints ?
Post by: Nordland on October 25, 2009, 09:00

You are out of memory. Either you use to good parameters or else your system is too large for your computer.