Hi Jaya,
Try this.
All the best
Ross
> -----Original Message-----
> From: amber-bounces.ambermd.org [mailto:amber-bounces.ambermd.org] On
> Behalf Of jaya c.jose
> Sent: Tuesday, May 18, 2010 8:21 AM
> To: AMBER Mailing List
> Subject: Re: [AMBER] Installation of Amber10
>
> Dear Prof.Walker
>
> Thank you very much for your continuous support.
>
> >
> > Which compiler for linux has the name 'f95'? I have never come across
> this.
> > Are you sure this is what you want to use? On linux_em64t I advise
> using
> > the
> > Intel compilers. Did you try this?
> >
> > I am very sorry it is wrong.
>
>
>
> > As for fftw you are unlikely to gain much performance with this and
> will
> > massively complicate the building process. On Linux EM64T I would
> suggest
> > doing:
> >
> > ./configure linux_em64t ifort mvapich bintraj
> >
>
> I have given these options to configure pmemd.
>
> >
> > Then edit the config.h file to strip out all the mpi libraries etc
> and
> > replace ifort with mpif90 and also bring the compiler optimization
> flags up
> > to date.
> >
> > I tried to edit the config.h file but failed.I am a new student in
> this
> field.I don't have enough idea about the different variables used in
> it.So I
> am sending herewith my config.h file.I would be very thankful if
> anybody
> help me to edit this file.
>
> Thanking You
> Jaya
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Received on Tue May 18 2010 - 09:00:06 PDT
