[AMBER] illegal memory access

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From: Alois Zdrha via AMBER <amber.ambermd.org>
Date: Tue, 13 Aug 2024 14:01:55 +0200 (CEST)

Hi,

I wanted to perform free energy calculation on a protein complex using the
GaMD (igamd=17, see included script). All went fine for several hours and
then following exception occurred:

unsigned long long of length = 486Failed an illegal memory access was
encountered

There is no other error massage. Interestingly, only some simulation
encountered this issue while other with the same settings (just different
protein complexes) did not fail and are still being simulated. What could be
the issue? I am using amber22 and ambertools23.

Best regards,

Alois Zdrha

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Received on Tue Aug 13 2024 - 05:30:02 PDT