Hi,
Thanks a lot for your nice guidance to overcome this
problem, i have solved my problem and finally its
working.
Regards
--- Ross Walker <ross.rosswalker.co.uk> wrote:
> Hi Syed,
>
> I think you are seeing the same problem that is
> mentioned in some of the
> links to the amber mailing list archive. I don't
> think we have ever been
> able to locate what causes this problem however...
>
> One option would be to try changing the c compiler.
> If you have the Intel
> compilers installed (ifort / icc) then try, assuming
> you have an x86_64
> machine and the 64 bit version of the compilers
> (fce/cce) and OS installed:
>
> ./configure -static -nopar ifort_x86_64
>
> Then edit config.h and change gcc to icc and g++ to
> icpc.
>
> Then make clean, make
>
> See if xleap then works in this situation.
>
> All the best
> Ross
>
> /\
> \/
> |\oss Walker
>
> | HPC Consultant and Staff Scientist |
> | San Diego Supercomputer Center |
> | Tel: +1 858 822 0854 | EMail:-
> ross.rosswalker.co.uk |
> | http://www.rosswalker.co.uk | PGP Key available on
> request |
>
> Note: Electronic Mail is not secure, has no
> guarantee of delivery, may not
> be read every day, and should not be used for urgent
> or sensitive issues.
>
> > -----Original Message-----
> > From: owner-amber.scripps.edu
> > [mailto:owner-amber.scripps.edu] On Behalf Of Syed
> Tarique Moin
> > Sent: Tuesday, June 12, 2007 01:05
> > To: amber.scripps.edu
> > Subject: Re: AMBER: problem in installing amber9
> >
> > Hi
> >
> > Thanks for you kind suggestion,
> >
> > But i want to update with amber9, so plz guide me
> for
> > the installation,
> >
> > I have compiler g98 and the Hardware is Intel Xeon
> > dual processor.
> >
> > Regard
> > --- "David A. Case" <case.scripps.edu> wrote:
> >
> > > On Fri, Jun 01, 2007, Syed Tarique Moin wrote:
> > >
> > > > I installed amber9 but not looking fine, i
> have a
> > > > problem in xleap, that when i make initial
> files,
> > > like
> > > > using the command
> > > >
> > > > solvatebox or addions the solvent surrounding
> the
> > > > solute not well file (file attached name as
> > > > amber9.jpg)
> > > >
> > > > but its looking right with amber7.jpg (for the
> > > > comparison) surrounding the solute very well
> by
> > > the
> > > > solvent.
> > > >
> > >
> > > Please see if this helps:
> > >
> > >
> > >
> http://amber.ch.ic.ac.uk/archive/200406/0298.html
> > >
> > > or this:
> > >
> > >
> http://amber.ch.ic.ac.uk/archive/200503/0122.html
> > >
> > > or this:
> > >
> > >
> http://amber.ch.ic.ac.uk/archive/200610/0205.html
> > >
> > > Since Amber 7 works, you can still use that, I
> would
> > > imagine. You might
> > > provide details about your compiler and what
> > > architecture (emt64?) you are
> > > using.
> > >
> > > ....dac
> > >
> > >
> >
>
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> > > The AMBER Mail Reflector
> > > To post, send mail to amber.scripps.edu
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> > > majordomo.scripps.edu
> > >
> >
> >
> > Syed Tarique Moin,
> > Junior Research Fellow,
> > H.E.J. Research Institute of Chemistry,
> > International Center for Chemical and Biological
> Sciences,
> > University of Karachi, Karachi-75720, Pakistan
> >
> > tarisyed.yahoo.com
> > tarisyed.hotmail.com
> >
> >
> >
> >
>
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>
>
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Syed Tarique Moin,
Junior Research Fellow,
H.E.J. Research Institute of Chemistry,
International Center for Chemical and Biological Sciences,
University of Karachi, Karachi-75720, Pakistan
tarisyed.yahoo.com
tarisyed.hotmail.com
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Received on Sun Jul 22 2007 - 06:07:55 PDT
