Todd, I must say you must know a lot!
Sorry, shame on me really, I sign GMX mailing list but simply didn't think
to ask them and I don't know why.
I'll suggest these lines bellow to her and henceforth we'll ask to GMX
guys.
Cheers,
On Fri, 25 Oct 2002, Todd Lyons wrote:
> First of all, shame on you for not taking this to a gromacs mailing
> list.
>
> Alan Wilter Sousa da Silva wrote on Fri, Oct 25, 2002 at 12:24:37PM -0200 :
> >
> > I asked her about that. She's running gromacs (www.gromacs.org), a
> > programme for molecular dynamics. I asked for the commands lines she's
> > executing, but she didn't send me it yet.
>
> Assuming the commandline is 'gromacs arg1 arg2 arg3', then have her run
> 'strace gromacs arg1 arg2 arg3 > ~/gromacs.log 2>&1'
>
> don't run it for very long because it will grow large very quickly.
> then process it with
> 'cat gromacs.log | grep map > gromacs2.log'
>
> Now look through gromacs2.log and see if there is a pattern of mapping
> memory and not unmapping it when it's done with it. A return result of
> 0xNNNNNNNN is a success. That hexadecimal number is the address of
> memory of the first byte that was allocated (ie a pointer).
>
> Wouldn't hurt to look through gromacs.log to see what all is happening
> around those memory map and unmap requests. There might be some other
> obscure failure that's occurring that is causing the program to hang and
> not complete that portion of its program.
>
> More than likely it's just a poorly written program.
>
> Blue skies... todd
>
--
-----------------------
Alan Wilter S. da Silva
-----------------------
Laboratório de Física Biológica
Instituto de Biofísica Carlos Chagas Filho
Universidade do Brasil/UFRJ
Rio de Janeiro, Brasil
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