[gmx-users] about crashes and seg fault on opls meoh under OSX

ioannis.nicolis at free.fr ioannis.nicolis at free.fr
Thu Oct 10 11:14:12 CEST 2002

Hello again,

Could the bugs of Apple gcc3 you talk about be related to the crashes I 
experience with the methanol box that I have send you?
I used the box for another simulation (3 small molecules solvated) and I 
had again weird results:
The first time I had a "pressure scaling more than 1%" stop after about 
217000 steps of 1fs each, while the pressure and density where normal.
The second time I did an energy minimisation of the system and 
launched again the dynamics. It stopped after 228590 steps with 
"Segmentation fault" and no other message.

>There are a couple of bugs in the Apple version of gcc3. I've worked
> around these and significantly improved the altivec innerloops in
> the prerelease version available at

If you think is relevant I can download and try the beta version you 

Thanks again,


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