[AMBER] AmberTools and OS X

From: John McGuigan <mcguiganj.ualberta.ca>
Date: Sat, 14 Aug 2010 23:04:53 -0600 (MDT)

Hello fellow AMBER users,

I'm having trouble compiling just AmberTools-1.4 (amber11) on a OS X
10.6.4 machine. When I run ./configure gnu it seems to go okay, but after
running make it goes for a while and stops with this error:

/usr/local/apps/amber11/bin/nab -o matgen matgen.o
Undefined symbols:
   "_rfftwnd_f77_destroy_plan_", referenced from:
       ___rism3d_c_MOD_reallocbox in libnab.a(rism3d_c.o)
       ___rism3d_c_MOD_reallocbox in libnab.a(rism3d_c.o)
       ___rism3d_c_MOD_rism3d_destroy in libnab.a(rism3d_c.o)
       ___rism3d_c_MOD_rism3d_destroy in libnab.a(rism3d_c.o)
   "_rfftwnd_f77_one_real_to_complex_", referenced from:
       ___rism_fft_MOD_rlft3i in libnab.a(rism_fft.o)
   "_rfftw3d_f77_create_plan_", referenced from:
       ___rism_fft_MOD_fftw_make_plans in libnab.a(rism_fft.o)
       ___rism_fft_MOD_fftw_make_plans in libnab.a(rism_fft.o)
   "_rfftwnd_f77_one_complex_to_real_", referenced from:
       ___rism_fft_MOD_rlft3i in libnab.a(rism_fft.o)
ld: symbol(s) not found
collect2: ld returned 1 exit status
cc failed!
make[1]: *** [matgen] Error 1
make: *** [serial] Error 2

I see earlier on in the compiling process specifically for fftw, ranlib
complains that:

/usr/bin/ranlib: file: libnab.a(fftwf77.o) has no symbols
/usr/bin/ranlib: file: libnab.a(rfftwf77.o) has no symbols
rm -rf /usr/local/apps/amber11/lib/temp
ranlib libnab.a
ranlib: file: libnab.a(fftwf77.o) has no symbols
ranlib: file: libnab.a(rfftwf77.o) has no symbols

I presume that these are connected but I don't know how to compile
fftwf77.o or rfftwf77.o with (debugging?) symbols.

I'm using the version of GCC that came with Xcode for 10.6 and gfortran
(and g77) from http://hpc.sourceforge.net/

Any help in this matter would be greatly appreciated.

Thanks,

John McGuigan

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Received on Sat Aug 14 2010 - 22:30:03 PDT
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