Dear all,
I'm not sure if this is related, but by default, GaMD is probably
limited to 500 atoms only,
so you need to recompile PMEMD as indicated here:
https://sourceforge.net/p/gamd/mailman/message/59261007/
Not sure if that helps but 513 > 500, that may be an indirect cause?
Le 04/07/2026 à 12:33, Semen Baldin via AMBER a écrit :
> I am running LiGaMD3 with the igamd=28 flag. The ntcmd steps complete
> without any issues, but immediately afterward the following error appears:
> "of length = 513 Failed: an illegal memory access was encountered"
> The same systems run without any problems under pmemd24.
BTW, how to open a bug request on this topic?
(in the past i did it on my own installation but forgot to report)
HTH,
Stéphane
--
Associate Professor, USBB, UMR 6286 CNRS, Bioinformatique Structurale
UFR Sciences et Techniques, 2, rue de la Houssinière, Bât. 8, 44322 Nantes cedex 03, France
Tél : +33 251 125 636 / Fax : +33 251 125 632
http://www.us2b.univ-nantes.fr/ -http://www.steletch.org
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Received on Mon Jul 06 2026 - 15:30:02 PDT
