Hello Ross,
The problem was that previously compiled objects files produced with an
incorrect config.h file had not been removed. Once all object files were
removed, the compilation finished successfully. Thanks for your input.
Sergio
----- Original Message -----
From: "Ross Walker" <ross.rosswalker.co.uk>
To: <amber.scripps.edu>
Sent: Tuesday, September 19, 2006 2:41 PM
Subject: RE: AMBER: installation error for pmemd in Amber 9/Opteron
> Dear Sergio,
>
> The routine zzfft is only used when SGIFFT is defined. Hence I think you
> used the wrong system configuration when running ./configure.
>
> What system did you select?
>
> You should have chosen:
>
> ./configure linux64_opteron pgf90 lam pubfft
>
> Substitute lam for whatever mpi you are using.
>
> All the best
> Ross
>
> /\
> \/
> |\oss Walker
>
> | HPC Consultant and Staff Scientist |
> | San Diego Supercomputer Center |
> | Tel: +1 858 822 0854 | EMail:- ross.rosswalker.co.uk |
> | http://www.rosswalker.co.uk | PGP Key available on request |
>
> Note: Electronic Mail is not secure, has no guarantee of delivery, may not
> be read every day, and should not be used for urgent or sensitive issues.
>
>> -----Original Message-----
>> From: owner-amber.scripps.edu
>> [mailto:owner-amber.scripps.edu] On Behalf Of Sergio Aragon
>> Sent: Tuesday, September 19, 2006 14:26
>> To: amber.scripps.edu
>> Subject: AMBER: installation error for pmemd in Amber 9/Opteron
>>
>> 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
>> --------------------------------------------------------------
>> ---------
>> The AMBER Mail Reflector
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>
>
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Received on Wed Sep 20 2006 - 06:07:22 PDT
