[AMBER-Developers] segfault with PBSA decomp

From: Jason Swails <jason.swails.gmail.com>
Date: Tue, 18 Jan 2011 20:49:48 -0500

Hello,

I'm running with Intel 11.1.069 on a 64-bit Linux platform, and the PBSA
decomp simulations are dying with a segfault (MMPBSA.py tests as well
as test/sander_pbsa_decpw).

idb narrowed the offending line down to

gcrg(5,iatm) = aa1*bb1cc ; gcrg(6,iatm) = aa *bb1cc

in pb_force.f

Can anybody else reproduce this? I'm not having terribly much luck hunting
this down (I'm quite unfamiliar with the code).

Thanks!
Jason 

-- 
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Graduate Student
352-392-4032
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Received on Tue Jan 18 2011 - 18:00:04 PST
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