Re: [AMBER] Sander Compilation Problem

From: Ali Faruqi <alifar76.gmail.com>
Date: Mon, 4 Jul 2011 09:22:27 +0500

Thanks, Jason for the help. I was installing AmberTools 1.3 first and then
trying to install Amber10. When I installed AmberTools 1.2 first, I faced no
problem and smoothly compiled everything.

Regards,
Ali

On Mon, Jul 4, 2011 at 12:14 AM, Jason Swails <jason.swails.gmail.com>wrote:

> Did you build AmberTools first? I think blas and lapack libraries are
> built
> as part of AmberTools (note that you need to install AmberTools 1.2
> alongside Amber 10).
>
> HTH,
> Jason
>
> On Wed, Jun 29, 2011 at 12:51 AM, Ali Faruqi <alifar76.gmail.com> wrote:
>
> > With reference to my previous post regarding the compilation AmberTools,
> I
> > am now facing a problem installing Amber10. I have been able to
> > successfully
> > install AmberTools. However, when I try to compile Amber10, I get the
> > following error:
> >
> > su-sander-proxy.o ncsu-smd-hooks.o ncsu-umbrella.o ncsu-utils.o
> > ncsu-value.o
> > \
> > ../lapack/lapack.a ../blas/blas.a \
> > ../lib/nxtsec.o ../lib/sys.a ../netcdf/lib/libnetcdf.a
> > gfortran: ../lapack/lapack.a: No such file or directory
> > gfortran: ../blas/blas.a: No such file or directory
> > make[1]: *** [sander] Error 1
> > make[1]: Leaving directory
> `/home/AMBER-backup/Amber-10/amber10/src/sander'
> > make: *** [serial] Error 2
> >
> > I issue the 'make serial' command for this purpose. Prior to that, I
> > generated the config.h file using the following command:
> >
> > './configure_amber -static gfortran'
> >
> > I do not use the './configure_amber -static g95' command as instructed in
> > the installation manual because when I use the g95 command, I get the
> > following error:
> >
> > Configuring netcdf; (may be time-consuming)
> > configure: WARNING: No F90 compiler found. F90 API will not be built.
> > configure: error: Could not link conftestf.o and conftest.o
> > netcdf configure returned 1
> > NETCDF configure failed! Check the netcdf_config.log file
> >
> > What should I do? Please inform me. Thank you very much.
> >
> > Regards,
> > Ali
> > _______________________________________________
> > 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
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
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Received on Sun Jul 03 2011 - 21:30:03 PDT
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