[gmx-users] gmx_bast subroutine error

[David van der Spoel]

Alexey Krukow wrote:
> Dear Gromacs Users, 
>  
> I have tried to start my job on 128 cores with 32 cores assigned for the PME calculation. 
> I have got following error:
> -------------------------------------------------------
> Program mdrun, VERSION 4.0.2
> 
> Source code file: network.c, line: 357
> 
> Routine should not have been called:
> 
> gmx_bast

you sure you compiled with MPI support?
> -------------------------------------------------------
> 
> I searched mailing list and could not  find any record of this error. 
>  
> Can anybody help me???
>  
> Best. 
> ==================================
>  
> Dr. Aliaksei Krukau 
>  
> Max Planck Institute of Colloids and Interfaces 
> 


-- 
David van der Spoel, Ph.D., Professor of Biology
Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone:	+46184714205. Fax: +4618511755.
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se