[gmx-users] Floating exception

Anton Feenstra feenstra at chem.vu.nl
Tue Jul 29 09:29:01 CEST 2003


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 |
|(   |   )| | | De Boelelaan 1083 - 1081 HV Amsterdam - Netherlands   |
| \_/ \_/ | | | Tel: +31 20 44 47608 - Fax: +31 20 44 47610           |
|             | Feenstra at chem.vu.nl - www.chem.vu.nl/~feenstra/       |
|             | "If You See Me Getting High, Knock Me Down"           |
|             | (Red Hot Chili Peppers)                               |
|_____________|_______________________________________________________|





More information about the gromacs.org_gmx-users mailing list