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-- Jason M. Swails Quantum Theory Project, University of Florida Ph.D. Candidate 352-392-4032 On May 13, 2012, at 5:56 PM, Mark Rance <rancemd.gmail.com> wrote: > Unfortunately I have to report that upgrading to the 12.1.3 version of the > intel compiler suite did not fix the problem (ifort -V reports: > Intel(R) Fortran Intel(R) 64 Compiler XE for applications running on > Intel(R) 64, Version 12.1.3.293 Build 20120212 > > The error message on compiling amber12 (using the ./configure intel command > in a freshly untarred and unmodified copy of the amber12 software) remains > the same: > > /home/rance/programs/amber/amber12/include/fftw3.h(370): error: identifier > "__float128" is undefined > FFTW_DEFINE_API(FFTW_MANGLE_QUAD, __float128, fftwq_complex) > ^ > > compilation aborted for CompFrc.c (code 2) > make[2]: *** [CompFrc.o] Error 2 > make[2]: Leaving directory > `/home/rance/programs/amber/amber12/AmberTools/src/mdgx' > make[1]: *** [serial] Error 2 > make[1]: Leaving directory > `/home/rance/programs/amber/amber12/AmberTools/src' > make: *** [install] Error 2 > > (The initial error about __float128 is repeated a number of times before > the compilation is aborted). > > So I will go back to using the -nofftw3 flag but will be happy to provide > any additional info or test any ideas. > > > > On Fri, May 11, 2012 at 7:22 PM, Jason Swails <jason.swails.gmail.com>wrote: > >> Is there any way you can upgrade to the 12.1.3 version of the compiler >> suite? That version worked just fine for me. >> >> -- >> Jason M. Swails >> Quantum Theory Project, >> University of Florida >> Ph.D. Candidate >> 352-392-4032 >> >> On May 11, 2012, at 5:52 PM, Mark Rance <rancemd.gmail.com> wrote: >> >>> It is a home-built dual hex core (Intel processors) machine running >> Fedora >>> Core 15, 64-bit version >>> (uname -a gives 2.6.42.9-1.fc15.x86_64 #1 SMP Thu Mar 1 23:30:23 UTC 2012 >>> x86_64 x86_64 x86_64 GNU/Linux) >>> >>> Mark >>> >>> >>> >>> >>> On Fri, May 11, 2012 at 4:07 PM, David A Case <case.biomaps.rutgers.edu >>> wrote: >>> >>>> On Fri, May 11, 2012, Mark Rance wrote: >>>>> >>>>> Regarding point 3 in your message, I had not done any modifications of >>>>> anything within the Amber12 code and configure scripts until the >> change I >>>>> mentioned above to get the -nofftw3 flag to work. >>>> >>>> Just a quick question: what is your operating system? is it a 32-bit or >>>> 64-bit >>>> version? >>>> >>>> ...thanks...dave >>>> >>>> >>>> _______________________________________________ >>>> AMBER mailing list >>>> AMBER.ambermd.org >>>> http://lists.ambermd.org/mailman/listinfo/amber >>>> >>> _______________________________________________ >>> AMBER mailing list >>> AMBER.ambermd.org >>> http://lists.ambermd.org/mailman/listinfo/amber >> >> _______________________________________________ >> AMBER mailing list >> AMBER.ambermd.org >> http://lists.ambermd.org/mailman/listinfo/amber >> > _______________________________________________ > AMBER mailing list > AMBER.ambermd.org > http://lists.ambermd.org/mailman/listinfo/amber _______________________________________________ AMBER mailing list AMBER.ambermd.org http://lists.ambermd.org/mailman/listinfo/amberReceived on Sun May 13 2012 - 19:30:03 PDT