AMBER Archive (2006)

Subject: AMBER: installation error for pmemd in Amber 9/Opteron

From: Sergio Aragon (aragons_at_sfsu.edu)
Date: Tue Sep 19 2006 - 16:25:53 CDT

Dear Amber Community,

Your assistance with the following error during the compilation of pmemd
(Amber 9) on an Opteron system with PGI V. 6.x compilers: " undefined
reference to `zzfft_' " will be greatly appreciated.

Thanks,

Sergio Aragon
Professor of Chemistry
SFSU

 The log of the make process follows:

make[1]: Entering directory `/home/apps/amber/amber9p/src/pmemd/src'
pgf90 -o pmemd gbl_constants.o gbl_datatypes.o state_info.o
file_io_dat.o
parallel_dat.o mdin_ctrl_dat.o mdin_ewald_dat.o prmtop_dat.o
inpcrd_dat.o
dynamics_dat.o img.o parallel.o pme_direct.o pme_recip.o pme_fft.o
fft1d.o
bspline.o pme_force.o pbc.o nb_pairlist.o cit.o dynamics.o bonds.o
angles.o
dihedrals.o runmd.o loadbal.o shake.o runmin.o constraints.o
axis_optimize.o
gb_ene.o veclib.o gb_force.o timers.o pmemd_lib.o runfiles.o file_io.o
bintraj.o
pmemd_clib.o pmemd.o random.o degcnt.o erfcfun.o nmr_calls.o nmr_lib.o
get_cmdline.o
master_setup.o alltasks_setup.o pme_setup.o ene_frc_splines.o
nextprmtop_section.o
-L/usr/local/bin/mpich2-install/lib -lmpich
fft1d.o(.text+0x33a): In function `fft1d_mod_fft1d_create_':
: undefined reference to `zzfft_'
fft1d.o(.text+0x4fa): In function `fft1d_mod_fft1d_forward_':
: undefined reference to `zzfft_'
fft1d.o(.text+0x63a): In function `fft1d_mod_fft1d_back_':
: undefined reference to `zzfft_'
make[1]: *** [pmemd] Error 2
make[1]: Leaving directory `/home/apps/amber/amber9p/src/pmemd/src'
make: *** [install] Error 2
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