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["Anglade Pierre-Matthieu" <anglade@gmail.com>]

Hi,

I think some more informations would be useful:
-your input file
-relevant extract of your output/log
-(maybe the psp you use)
-the version of Abinit you used (+eventualy compiler and computer arch informations).

regards

PMA

On Nov 15, 2007 8:33 AM, <ramirez_o273@utpb.edu> wrote:

Dear Abinitioners,
    I'm running a structural relaxation of a gold slab with a supercell size of 252 atoms. I'm constraining the positions using the iatfix and natfix variables to allow only the top two layers to relax. Now, oddly, the run terminates less than 10 seconds with the error: Fortran Runtime error: Attempting to allocate negative memory: possible integer overflow, which occurs right in the middle of the assignment of the occupation numbers for the Au atoms in the output file. Could it be that this is a typical error when one does not configure the fortran compiler correclty? By the way, my internal tests and some tutorial input files completed and worked just fine. It's just that with this large supercell, this fortran "negative memory" attempt occured.

I hope this is enough information to shed light on the cause of just a minor problem (I hope). A lengthy input/output files are available upon request.

Best regards,
Oscar M. Ramirez

-- 
Pierre-Matthieu Anglade