http://lists.ambermd.org/mailman/listinfo/amber
To remove yourself from Amber, anyway. Not sure about apbs-users, but I'm
assuming something similar.
All the best,
Jason
On Fri, Dec 7, 2012 at 11:32 AM, Michael Werner <wernerm.uchicago.edu>wrote:
> Is there anyway I can be removed from this list please?
>
> -Michael
>
> On Fri, Dec 7, 2012 at 3:39 AM, Miguel Ortiz Lombardía <
> miguel.ortiz-lombardia.afmb.univ-mrs.fr> wrote:
>
>> Hi Robert,
>>
>> You are absolutely right concerning compilers. Even if the intel
>> compilers are "gcc compatible", they are so with gcc 4.2.1 and not with
>> gcc 4.6.2, which I was using. To make sure I do not fall in runtime
>> errors due to incompatibilities, I have recompiled the whole thing with
>> the intel compilers (icc version 12.1.6 (gcc version 4.2.1 compatibility))
>>
>> The only changes required are at the configure steps:
>>
>> CC=icc CXX=icpc FC=ifort F77=ifort ./configure (...)
>>
>> I can confirm that this also succeeds compiling APBS / iAPBS /
>> sander.APBS.
>>
>> Thanks!
>>
>> --
>> Miguel Ortiz Lombardía
>>
>> Architecture et Fonction des Macromolécules Biologiques (UMR7257)
>> CNRS, Aix-Marseille Université
>> Case 932, 163 Avenue de Luminy, 13288 Marseille cedex 9, France
>> Tel: +33(0) 491 82 55 93
>> Fax: +33(0) 491 26 67 20
>> mailto:miguel.ortiz-lombardia.afmb.univ-mrs.fr
>> http://www.afmb.univ-mrs.fr/Miguel-Ortiz-Lombardia
>>
>> Le 06/12/12 21:28, Robert Konecny a écrit :
>> > Hi Miguel,
>> >
>> > that's a good news. I'm a bit surprised that your compilation succeeded
>> > since it seems like you are using GNU compilers for APBS and iAPBS
>> > compilation and then the Intel compilers for Amber. In my experience
>> > compiler mixing rarely works.
>> >
>> (...)
>>
>>
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>
>
>
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--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Fri Dec 07 2012 - 11:30:03 PST
