Hi David,
NCSU is a block of code that is responsible for advanced sampling
techniques, such as ABMD, umbrella sampling, steered MD, etc. done in a very
general way. If you don't think you'll ever use this functionality, then
you don't have to do anything else. However, if you want to use the NCSU
functionality then you'll have to upgrade the compiler as Dan mentioned in
his response.
Upgrading compilers are system-dependent. In this case, Google is your
friend. If you are running RHEL or a variant (CentOS for example), then
there have been numerous posts on upgrading the compiler on this mailing
list; a quick search should reveal them.
Hope this helps,
Jason
On Mon, Mar 14, 2011 at 12:16 AM, David Cantu <dcantu.iastate.edu> wrote:
> Hi Dan,
>
> Thanks for your help. I'm a beginner here, what is ncsu? If I do need to
> use
> ncsu, how can I upgrade a complier.
>
> Thanks,
>
> David
>
> On Sun, Mar 13, 2011 at 9:21 PM, Daniel Roe <daniel.r.roe.gmail.com>
> wrote:
>
> > Hi,
> >
> > If I remember correctly this was an issue that occurred only with the
> > ncsu stuff and gnu compilers version 4.1.2. If you are using those
> > compilers I think you have to upgrade to a more recent version to use
> > the ncsu stuff. If you don't need the ncsu stuff the rest of amber
> > should work fine.
> >
> > -Dan
> >
> > On Sunday, March 13, 2011, David Cantu <dcantu.iastate.edu> wrote:
> > > Dear Amber Developers,
> > >
> > > I successfully installed AmberTools and now am installing Amber11.
> > > After 'make serial', I did 'make test'. I got 14 test failures. In
> > several
> > > '.dif' files I got the folllowing error:
> > >
> > >> ** NCSU-Error ** : expected list value for key 'i', got '<EMPTY>'
> > instead
> > >
> > > How can I correct this?
> > >
> > > Thank you,
> > >
> > > David
> > >
> > >
> > >
> > >
> > > --
> > > David Cantu
> > > Graduate Research Assistant
> > > Chemical and Biological Engineering
> > > 3055 Sweeney Hall
> > > Iowa State University
> > > Ames IA, 50011
> > > _______________________________________________
> > > AMBER mailing list
> > > AMBER.ambermd.org
> > > http://lists.ambermd.org/mailman/listinfo/amber
> > >
> >
> > --
> > -------------------------
> > Daniel R. Roe
> > Postdoctoral Associate
> > SAS - Chemistry & Chemical Biology
> > 610 Taylor Road
> > Piscataway, NJ 08854
> >
> > _______________________________________________
> > AMBER mailing list
> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
> >
>
>
>
> --
> David Cantu
> Graduate Research Assistant
> Chemical and Biological Engineering
> 3055 Sweeney Hall
> Iowa State University
> Ames IA, 50011
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Mon Mar 14 2011 - 07:30:02 PDT
