[ADOL-C] Assertion error in Adolc

Jaber Rezaeimianroodi jaber.rezaeimianroodi at rwth-aachen.de
Fri Sep 28 10:31:11 EDT 2012


I am trying to use ADOL-C for hessian calculation of energy of an atomic system. It works perfect for small systems up to 32 atoms (with 3 translational DOF on each atom). But when I try to use the package for larger systems (for example 36 or more atoms) I get the following error:

Assertion failed: (0 < loc && loc < groesse), function free_loc, file ../../../ADOL-C/src/tape_handling.cpp, line 135.
Abort trap: 6

is there a limitation on number of function arguments? I am not sure this error is software related or hardware. 
Thank you very much for your help,

Jaber Rezaei Mianroodi
PhD student
Chair of Material Mechanics
RWTH Aachen University
Schinkelstrasse 2
D-52062 Aachen
Webpage: http://www.cmm.rwth-aachen.de
Email: jaber.rezaeimianroodi at rwth-aachen.de

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