[gmx-users] Re: [gmx-users] still seg faults with the beta on Mac OSX G4

nicolis@guideo.fr nicolis at guideo.fr
Thu Nov 21 16:17:09 CET 2002


> the warning suggests there are physical problems anyway. DO you use too
> strong P coupling? FOr isotropic scaling I usually recommend 1 ps, for
> anisotropic larger (maybe 4 ps).

OK here are the results:
I repeated the same run using an isotropic coupling of 1 instead of 0.5 and I get 
the seg fault after 350ps instead of 220ps (1fs steps) but this time without  
Warning about pressure scaling.
I tried also a coupling of 2 and then I have the seg fault after only 45ps (still 
without any other warning message).
I really don' t know what is wrong. Any help?
Thanks,
Ioannis





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