Re: [AMBER-Developers] [AMBER] compilation of amber 11 + amber tools 1.5 with intel 12.1.2

From: David A Case <case.biomaps.rutgers.edu>
Date: Mon, 6 Feb 2012 08:24:33 -0500

On Mon, Feb 06, 2012, Jan-Philip Gehrcke wrote:

> The regular expression filters for determining the Intel compiler
> version in the AmberTools configure script do not work correctly
> (anymore?). Those are the relevant lines:
>
> > icc_version=`$cc -v 2>&1`
> > icc_version=`echo $icc_version | sed -e 's/\..*//g' | sed -e 's/^Version //'`
> > ifort_version=`$fc -v 2>&1`
> > ifort_version=`echo $ifort_version | sed -e 's/\..*//g' | sed -e 's/^Version //'`
>
> On my system, $icc_version then contains "icc version 12" instead of
> only a number, leading to the "integer expression expected" error. A
> simpler approach would be:
>
> $ icc -dumpversion | sed -e 's/\..*//g'
> 12
>
> I am not sure if the -dumpversion switch works for older Intel compiler
> versions.

"icc -dumpversion" works for icc 10,11 and 12. I don't have any access to
earlier versions right now.

Unfortunately, ifort does not support a "-dumpversion" command :-(

>
> Is it still correct that Intel compiler versions higher than 11 must be
> treated specially, as stated in the AmberTools configure script? ->
>
> > # DRR - Add flags necessary for correct compilation with intel version >= 11
> > if [ "$icc_version" -ge 11 ] ; then
> > cxxflags="-std=c++0x $cxxflags"
> > ambercxxflags="-std=c++0x $ambercxxflags"
> > ldflags="-shared-intel"
> > fi

Note that Jason took out the -std=c++0x stuff claiming it breaks 12.1.0. Not
sure myself whether we need the -shared-intel flags, and if so, only for
versions 11 and 12 (?)

Note that the configure2 script has a bug in reporting the ifort_version.

If anyone has a good knowledge of the best way to clean this up, please pipe
up. I'm inclined to go with "icc -dumpversion", but am not sure what to do
with ifort.

....dac


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Received on Mon Feb 06 2012 - 05:30:05 PST
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