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

From: Jan-Philip Gehrcke <jgehrcke.googlemail.com>
Date: Mon, 06 Feb 2012 12:18:43 +0100

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.

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

With the "integer expression expected" error, this block is *not*
executed. However, the build result is obviously working properly. Can
this check be removed?


Cheers,

Jan-Philip


On 02/06/2012 11:58 AM, Vlad Cojocaru wrote:
> It seems that these messages have no effect.
> Ignoring them, I could compile both Amber Tools 1.5 and Amber 11 (at
> least the serial version)
>
> Best wishes
> Vlad
>
> On 02/06/2012 11:13 AM, Vlad Cojocaru wrote:
>> Dear Ambers,
>>
>> I am trying to compile AMBER 11 + AMBER TOOLS 1.5 (fully patched,
>> bugfixes downloaded today) with the intel compiler 12.1.2.
>> When configuring AT 1.5 (serial) .. I get the messages below
>> (./configure -nopython intel). OS = Scientific Linux 6.1
>>
>> Can anybody suggest a fix ?
>>
>> ./configure: line 770: [: icc version 12: integer expression expected
>> ./configure: line 779: [: icc version 12: integer expression expected
>> ./configure: line 782: [: ifort version 12: integer expression expected
>> ./configure: line 814: [: icc version 12: integer expression expected
>> ./configure: line 822: [: ifort version 12: integer expression expected
>> ./configure: line 894: [: icc version 12: integer expression expected
>> ./configure: line 899: [: ifort version 12: integer expression expected
>>
>> Best wishes
>> Vlad
>>
>


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Received on Mon Feb 06 2012 - 03:30:02 PST
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