The ABINIT Users Mailing List ( CLOSED )

[Aaron Deskins <aarondesk@yahoo.com>]

Is there a limit to the number of atoms that Abinit
can calculate? I'm trying to perform a single point
energy calculation for a supercell containing 40 Pt
atoms. I've been able to get 20 Pt atoms to work, but
the program crashes above this. A 30-atom job requires
132.382 Mbytes of memory and approximately 90 MB of
disk space. I have more than enough of memory and disk
space available. The program crashes on two different
IBM SP clusters with the error message: 

1525-002 The I/O statement on the internal file cannot
be completed because the end of the internal file was
reached.  The program will stop.

This message is repeated a few times. 
I've also tried the job on a DEC Alpha machine, but it
also crashes, which leads me to believe that there is
a bug or internal limit with Abinit. 
Is this so? Any help is appreciated. 

Aaron 


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