AMBER Archive (2009)

Subject: Re: [AMBER] Asking help for parallel installation of Amber9

From: nicholus bhattacharjee (nicholusbhattacharjee_at_gmail.com)
Date: Wed Nov 18 2009 - 07:00:36 CST

Dear David,
                   Thanx for your help. But I am unable to understand much
of your suggestions. Can you please elaborate. I am not much pro in linux.

On Wed, Nov 18, 2009 at 7:36 AM, David Watson <dewatson_at_olemiss.edu> wrote:

> On Nov 18, 2009, at 6:27 AM, nicholus bhattacharjee wrote:
>
> >
> >
> > $./configure -mpi ifort_ia32
> > AMBERHOME is set to /usr/local/amber9
> > Setting up Amber configuration file for architecture: ifort_ia32
> > Using parallel communications library: mpi
> > The MKL_HOME environment variable is not defined.
> > The MKL is recommended for optimal performance.
> >
> > The configuration file, config.h, was successfully created.
> >
> >
> > $ make parallel
> > Starting installation of Amber9 (parallel) at Tue Nov 3 11:17:17 IST
> 2009.
> > cd sander; make parallel
> > make[1]: Entering directory `/usr/local/amber9/src/sander'
> > ./checkparconf
> > cpp -traditional -P -DMPI evb_vars.f > _evb_vars.f
> > ifort -c -w95 -mp1 -O0 -FR -o evb_vars.o _evb_vars.f
> > make[1]: ifort: Command not found
> > make[1]: *** [evb_vars.o] Error 127
> > make[1]: Leaving directory `/usr/local/amber9/src/sander'
> > make: *** [parallel] Error 2
>
> It seems that your problem stems from the intel fortran compilers being
> invisible to your shell.
> You need to make sure to run the ifortvars.sh script before you try to
> compile with ifort.
> While you are at it, you may want to set the MKL_HOME environment variable,
> since you've already installed the intel fortran compiler.
>
>
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> 

-- 
Nicholus Bhattacharjee
PhD Scholar
Department of Chemistry
University of Delhi
Delhi-110007 (INDIA)
Phone: 9873098743(M)
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