I was trying to compile a checkout of Amber from the master git repo this
morning when I came across the following error while compiling Amber in
parallel.
/Users/bmiller/Source/Amber_
git_HPC/amber/lib/libFpbsa.a ../lib/sys.a ncsu-abmd-hooks.o ncsu-bbmd-ctxt.o
ncsu-bbmd-hooks.o ncsu-cftree.o ncsu-colvar.o ncsu-colvar-math.o
ncsu-colvar-type.o ncsu-colvar-utils.o ncsu-constants.o ncsu-cv-ANGLE.o
ncsu-cv-COM_ANGLE.o ncsu-cv-COM_DISTANCE.o ncsu-cv-COM_TORSION.o
ncsu-cv-COS_OF_DIHEDRAL.o ncsu-cv-DISTANCE.o ncsu-cv-HANDEDNESS.o
ncsu-cv-LCOD.o ncsu-cv-MULTI_RMSD.o ncsu-cv-N_OF_BONDS.o
ncsu-cv-N_OF_STRUCTURES.o ncsu-cv-R_OF_GYRATION.o ncsu-cv-TORSION.o
ncsu-lexer.o ncsu-parser.o ncsu-pmd-hooks.o ncsu-rmsd.o ncsu-sander-hooks.o
ncsu-sander-proxy.o ncsu-smd-hooks.o ncsu-umbrella.o ncsu-utils.o
ncsu-value.o mt19937.o
/Users/bmiller/Source/Amber_git_HPC/amber/lib/libnetcdf.a \
-L/Users/bmiller/Source/Amber_git_HPC/amber/lib
/Users/bmiller/Source/Amber_git_HPC/amber/lib/arpack.a -framework
Accelerate
Undefined symbols:
"_rfftw3d_f77_mpi_create_plan_", referenced from:
___rism_fft_MOD_fftw_make_plans in librism_mpi.a(rism_fft.o)
___rism_fft_MOD_fftw_make_plans in librism_mpi.a(rism_fft.o)
"_rfftwnd_f77_mpi_", referenced from:
___rism_fft_MOD_rlft3i in librism_mpi.a(rism_fft.o)
___rism_fft_MOD_rlft3i in librism_mpi.a(rism_fft.o)
"_rfftwnd_f77_mpi_local_sizes_", referenced from:
___rism_fft_MOD_fftw_make_plans in librism_mpi.a(rism_fft.o)
"_rfftwnd_f77_mpi_destroy_plan_", referenced from:
___rism3d_c_MOD_rism3d_destroy in librism_mpi.a(rism3d_c.o)
___rism3d_c_MOD_rism3d_destroy in librism_mpi.a(rism3d_c.o)
___rism3d_c_MOD_reallocbox in librism_mpi.a(rism3d_c.o)
___rism3d_c_MOD_reallocbox in librism_mpi.a(rism3d_c.o)
ld: symbol(s) not found
collect2: ld returned 1 exit status
make[1]: *** [sander.RISM.MPI] Error 1
make: *** [parallel] Error 2
I am using Mac OS X 10.6.6 with the gnu 4.4 compilers and OpenMPI. This has
been reproduced by more than just me, so I wanted to pass the word on to
those more knowledgeable about rism, in case they didn't already know.
-Bill
--
Bill Miller III
Quantum Theory Project,
University of Florida
Ph.D. Graduate Student
352-392-6715
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Received on Fri Mar 11 2011 - 10:30:04 PST
