[gmx-users] Floating exception

[Anton Feenstra]

Frauke Meyer wrote:
> I also want to run in double precision on the dec alpha
> cluster. mdrun_d crashes (with *and* without pulling) with the error
>   "Fatal error: Something weird with shells. They may not be bonded to
>   something"
> (Isn't that a weird error?)

Haven't seen that one before... I would guess you have executable/library
mismatch, i.e. did you first compile in single precision, or have (system)
libraries been upgraded?


-- 
Groetjes,

Anton
  _____________ _______________________________________________________
|             |                                                       |
|  _   _  ___,| K. Anton Feenstra                                     |
| / \ / \'| | | Dept. of Pharmacochem. - Vrije Universiteit Amsterdam |
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