RE: [AMBER-Developers] significant changes in the QM/MM part of sander

From: Ross Walker <ross.rosswalker.co.uk>
Date: Tue, 4 Aug 2009 17:09:17 +0100

Hi Ben,

I just tried this myself and it looks like the makefile still references
stack.o and veclib.o even though these are now in the lib directory.

I will update the Makefile.

All the best
Ross

> -----Original Message-----
> From: amber-developers-bounces.ambermd.org [mailto:amber-developers-
> bounces.ambermd.org] On Behalf Of Ben Roberts
> Sent: Tuesday, August 04, 2009 8:15 AM
> To: AMBER Developers Mailing List
> Subject: Re: [AMBER-Developers] significant changes in the QM/MM part
> of sander
>
> Hi,
>
> I just tried downloading the new changes and doing "Make clean" etc. I
> get this message in src/sander:
>
> [roberts.linx64 sander]$ make clean
> /bin/rm -f sander sander.LES ambmask sander.MPI sander.LES.MPI
> /bin/rm -f *.o
> /bin/rm -f _*.f
> /bin/rm -f *.mod
> /bin/rm -f *.d
> /bin/rm -f *nbflag
> /bin/rm depend; make depend
> make[1]: Entering directory `/scr/wukong_2/roberts/apps/amber11/src/
> sander'
> Makefile:347: depend: No such file or directory
> ./makedepend > depend
> No file name associated with module stack
> make[1]: *** [depend] Error 1
> make[1]: Leaving directory `/scr/wukong_2/roberts/apps/amber11/src/
> sander'
> make: *** [clean] Error 2
>
> Since I can't see a reference to "stack" in the makedepend script, I'm
> not entirely sure what's up here. Can anyone advise?
>
> Cheers,
> Ben
>
> On 3/8/2009, at 3:45 p.m., case wrote:
>
> > Just a note: Ross and I have made a largish cleanup of the files in
> > the
> > sander and sqm directories. You will probably need to do a cvs
> update
> > of everything, and re-run configure_amber and configure_at.
> >
> > Also, files that used to be present in both the sander and sqm
> > directories are
> > now only in sqm. If you have modifications that are not checked in
> > (to qm2_*
> > files), you may need to copy those files to the sqm directory, and
> > check them
> > in from there.
> >
> > ...thx...dac
> >
> >
> > _______________________________________________
> > AMBER-Developers mailing list
> > AMBER-Developers.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber-developers
>
> --
> Benjamin P. Roberts
> Postdoctoral Research Associate
> Quantum Theory Project
> University of Florida
>
> 2301 New Physics Building #92
> PO Box 118435
> Gainesville FL 32611-8435
> USA
>
> Phone: +1 352 392 6712
> Cell: +1 352 222 3677
>
> Member of the Royal Australian Chemical Institute
> and of the American Chemical Society
>
>
> _______________________________________________
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> AMBER-Developers.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber-developers


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Received on Wed Aug 19 2009 - 20:26:11 PDT
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