Re: [AMBER] Amber11 compile issue

From: Anuradha Mittal <anuradha.mittal.gmail.com>
Date: Sun, 19 Sep 2010 10:27:27 -0500

Yes, it compiled fine now. Thanks so much!

On Sun, Sep 19, 2010 at 1:28 AM, Ross Walker <ross.rosswalker.co.uk> wrote:

> Hi Anuradha
>
> This looks to be a problem with bugfix.8. A similar thing has occurred with
> other parallel builds. Basically bugfix.8 added the -fast flag to the
> loadline which was previously missing. This can improve performance but
> -fast with the Intel compilers implies static linking and unfortunately a
> lot of mpi installations do not include static versions of the libraries.
> Hence why it says it cannot locate the library.
>
> Try the following:
>
> in $AMBERHOME/src/config.h change
>
> PMEMD_FOPTFLAGS=-fast
>
> to
>
> PMEMD_FOPTFLAGS=-ipo -O3 -no-prec-div -xP
>
> and try building again and now it should work fine.
>
> Unfortunately the list of options changes with every version of the intel
> compilers, hence why the use of -fast is so appealing. However, I think we
> will need to release an update to bugfix.8 that removes the -fast from the
> link stage and tries to be smarter in the options that are used.
>
> All the best
> Ross
>
> /\
> \/
> |\oss Walker
>
> ---------------------------------------------------------
> | Assistant Research Professor |
> | San Diego Supercomputer Center |
> | Adjunct Assistant Professor |
> | Dept. of Chemistry and Biochemistry |
> | University of California San Diego |
> | NVIDIA Fellow |
> | http://www.rosswalker.co.uk | http://www.wmd-lab.org/ |
> | Tel: +1 858 822 0854 | EMail:- ross.rosswalker.co.uk |
> ---------------------------------------------------------
>
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Received on Sun Sep 19 2010 - 08:30:04 PDT
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