AMBER Archive (2009)

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

From: David Watson (dewatson_at_olemiss.edu)
Date: Wed Nov 18 2009 - 06:36:03 CST

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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