No. Once you've compiled and the tests are working you're done. gfortran
tends to make faster executables than g95 anyway (it's just a little more
buggy). In fact, if you start rebuilding with another compiler it can start
getting pretty hairy if you're not a little careful.
All the best,
Jason
On Sat, Nov 7, 2009 at 9:56 PM, Sudeep Narayan Banerjee
<sudeep.bose.res.in>wrote:
> Dear All,
>
> I have installed amber10 in CentOS, compiled with gfortran. I ran the
> test file and the results were OK. Is it necessary to compile with g95
> compiler once again?
>
> --
> Best Regards,
> Sudeep Narayan Banerjee
> Junior Computer Engineer
> S N Bose National Centre for Basic Sciences
> Block JD, Sector III, Saltlake City,
> Kolkata 700098
> Email: sudeep.bose.res.in
>
> ---------- Original Message -----------
> From: Peter Schmidtke <pschmidtke.mmb.pcb.ub.es>
> To: AMBER Mailing List <amber.ambermd.org>
> Sent: Sat, 07 Nov 2009 16:58:18 +0100
> Subject: Re: [AMBER] linux version for Amber10
>
> > I have seen running Amber10 in different distributions, so for
> > example openSuse 11.1 64 bit, Ubuntu, FC, Centos.
> >
> > What is the nature of your problem? Did you try to compile sander
> > etc with the ifort compiler from Intel? We noticed a huge increase
> > in calculation performance compared to gfortran the compiler.
> >
> > Best regards.
> >
> > Peter
> >
> > On Sat, 07 Nov 2009 07:28:05 -0800, liangchen88.ucla.edu wrote:
> > > What is the best version of linux for Amber10?
> > > my running process of Amber10 always has some problem,I guess it may
> > > have relationship with the linux system we are using.
> > >
> > > _______________________________________________
> > > AMBER mailing list
> > > AMBER.ambermd.org
> > > http://lists.ambermd.org/mailman/listinfo/amber
> >
> > --
> >
> > Peter Schmidtke
> >
> > ----------------------
> > PhD Student at the Molecular Modeling and Bioinformatics Group
> > Dep. Physical Chemistry
> > Faculty of Pharmacy
> > University of Barcelona
> >
> > _______________________________________________
> > AMBER mailing list
> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
> ------- End of Original Message -------
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
--
---------------------------------------
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Graduate Student
352-392-4032
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Received on Sat Nov 07 2009 - 20:00:02 PST
