[gmx-users] Re: MOPAC gromacs mdreun error (vidhya sankar)

[Gerrit Groenhof]

> 
>   2. MOPAC gromacs mdreun error (vidhya sankar)

It seems that you are trying to run with multiple threads. Use mdrun -nt 1 to use only a single thread.

Gerrit


> Dear gmx users
>                     
> i have successfuly installed Mopac gromacs/interface. but when i run 
> the QM/MM in mdrun_d 
>  i have got hte following error 
> QM/MM calculation requested.
> QM/MM calculation requested.
> there we go!
> there we go!
> Segmentation fault (core dumped)
> i am using 6 atoms for my Qm region i am using fedora core13 OS and pentium intel i5
> what could i do to remove this error
> ?
> i am expecting your reply soon  thanks in advance
> 
> 
> 
--
Gerrit Groenhof
MPI biophysical chemistry
Goettingen
Germany
http://wwwuser.gwdg.de/~ggroenh/