Re: [ccp4bb]: CCP4 4.2 with Intel Compilers

[Clemens Vonrhein <vonrhein@globalphasing.com>]

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Dear James,

if you give me a couple of days more I will have a complete
description (with patches and scripts) available. This makes CCP4 4.2
compile using

  Intel Fortran Compiler (ifc)
  Portland Group compiler (pgf77 and pgf90)
  Lahey LF95 compiler (lf95)
  Gnu g77 (various versions)
  Compaq/Tru64 (f77 and f90)
  SGI/IRIX 6.5.x (f77 and f90)

(and obviously everything else).

It's not that trivial to get things going with the Intel compiler: you
need to change various system specific things in $CCP4/lib/src and
also fix several bugs that come up with this compiler.

I'm currently testing the fixes/additions on all our Linux boxes as
well as Alpha and SGI - to make sure everything compiles and runs
correctly (well, 'correctly' here means that it produces a log-file
that looks very similar on all platforms - rounding errors and
arithmetic precision permitting).

Cheers

Clemens

On Tue, May 21, 2002 at 01:02:58PM -0600, James Stroud wrote:
> ***  For details on how to be removed from this list visit the  ***
> ***          CCP4 home page http://www.ccp4.ac.uk         ***
> 
> I am about to install the new CCP4 version on a Linux box I was wondering if
> anyone knows whether there would be an advantage in compiling CCP4 4.2 with
> the Intel compilers over using the pre-built binaries. If there is an
> advantage, does anyone have any advice about compiling--such as how to
> configure compiler flags, which libraries to use, and whether or not using
> the Intel C compiler in conjunction with IFC will give a performance boost.
> There was a nice mailing a couple of months ago from Kay Diederichs
> mentioning that the new CCP4 version will be able to compile with the Intel
> compilers, but nothing more has been mentioned (unless of course I missed it
> when perusing the CCP4 pages).
> 
> Kay Diederichs wrote:
> > I don't know about refmac5 but I believe the forthcoming CCP4 distro can
> > be compiled with ifc, thanks to Clemens.
> > For CNS, I start from the Makefile.header for pgf77 or fort77 and use
> > -Vaxlib -axKW for both F77OPT and LDFLAGS. That works nicely.
> > 
> > Kay 
> 
> James
> --------------------------------------------------------
> "Research: If it worked the first time,
> they would just call it 'search'."     -Roy Garcia
> --------------------------------------------------------
>  James C. Stroud
>  Department of Chemistry and Biochemistry
>  University of Colorado at Boulder
>  Boulder, CO 80309
> 
>  Tel: 303-492-4503      Fax: 303-735-1347
> --------------------------------------------------------

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