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From: Stefan B. <st...@em...> - 2014-09-02 18:27:15
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Dear Developers, I'm getting segmentation faults when trying to carry-out rings analysis on large systems ( > 10,000 atoms). I presume that the RINGS code was primarily developed for small Ab-initio MD simulations but is there a fundamental reason why larger systems would fail to run? This only happens during the rings analysis other options such as RDF, angles, and bonds execute without issues. Although probably not too revealing; below is the error from RINGS: ***************************** Rings ***************************** * S.P. rings + homopolar bonds* * => Allocation of memory complete <= * **** glibc detected *** rings: free(): invalid next size (fast): 0x0000000002656d70 **** *[Acer-V5-572G:08497] *** Process received signal **** *[Acer-V5-572G:08497] Signal: Segmentation fault (11)* *[Acer-V5-572G:08497] Signal code: Address not mapped (1)* *[Acer-V5-572G:08497] Failing at address: 0x102656dc* I've used both Intel and gnu compilers, no difference. Any help is most appreciated, Stefan Stefan Bringuier Graduate Research Assistant (PhD candidate) University of Arizona Materials Science and Engineering Department Email: st...@em... Alt Email: ste...@li... |