Re: [apbs-users] iapbs installation
Biomolecular electrostatics software
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From: Michael W. <we...@uc...> - 2012-12-07 16:32:42
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Is there anyway I can be removed from this list please? -Michael On Fri, Dec 7, 2012 at 3:39 AM, Miguel Ortiz Lombardía < mig...@af...> 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:mig...@af... > 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. > > > (...) > > > ------------------------------------------------------------------------------ > LogMeIn Rescue: Anywhere, Anytime Remote support for IT. Free Trial > Remotely access PCs and mobile devices and provide instant support > Improve your efficiency, and focus on delivering more value-add services > Discover what IT Professionals Know. Rescue delivers > http://p.sf.net/sfu/logmein_12329d2d > _______________________________________________ > apbs-users mailing list > apb...@li... > https://lists.sourceforge.net/lists/listinfo/apbs-users > |