[gmx-users] Re: mdrun problem

[David van der Spoel]

On Mon, 17 Dec 2001 oyama at lnls.br wrote:

>Dear sir,
>First of all, I would like to congratulate the GROMACS team for the wonderful
>work. Unfortunately, I can't run the program. When I invoke the mdrun command, I
>get this message:
>
>[FOBAD] MPID Die - ump2main.c:222 "Internal Error, The magic is missing" (0)

first of all, please post this kind of questions to the gmx-users list in
the future, there are more people reading the questions, and the chance of
getting an answer is higher, while it releases the burden on the
developers.

You probably should start the program using mpirun or something like that.
Check your local MPI manuals. I presume this is a compaq/dec mpi
implementation?


Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, 	Biomedical center, Dept. of Biochemistry
Husargatan 3, Box 576,  	75123 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://zorn.bmc.uu.se/~spoel
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