The ABINIT Users Mailing List ( CLOSED )

["Nuno A. G. Bandeira" <nuno.bandeira@ist.utl.pt>]

Hello all,

I tried to run a PAW molecular dynamics job with a relatively large 
system (100 atoms in a supercell) and neither the g95 nor the pgf 
binaries got past the 1st SCF cycle.

With the first one I got an informative error message:

C:\Program Files\abinit>abinis <Osbipy.files> Osbipy.log
At line 409 of file newrho_cpp.f90 (Unit 62130756389765768 "Osbipy____FFT")
Traceback: not available, compile with -ftrace=frame or -ftrace=full
Operating system error: Not enough storage is available to process this 
command.

With the second executable I just got an illegal instruction which had 
to be terminated by windows explorer.

My question concerns "unit 62130756389765768", is this the space that 
needs to be taken up by the disk ? if so is it reasonable ?


--
Nuno A. G. Bandeira, AMRSC
Graduate researcher and molecular sculptor
Inorganic and Theoretical Chemistry Group,
Faculty of Science
University of Lisbon - C8 building, Campo Grande,
1749-016 Lisbon,Portugal
http://cqb.fc.ul.pt/intheochem/nuno.html
Doctoral student @ IST,Lisbon
--


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