AMBER Archive (2006)

Subject: AMBER: Re: Problem in compiling sander with MMTSB

From: Scott Brozell (sbrozell_at_scripps.edu)
Date: Wed Jun 14 2006 - 22:29:57 CDT

Hi,

On Wed, 14 Jun 2006, Honggao Liu wrote:

> I am trying to compile Amber8 with -mmtsb option to build sander for
> MMTSB on our IBM AIX machines. I got the following message:
>
> /bin/true lmod.a
> xlf90 -qfree -o sander trace.o lmod.o decomp.o icosasurf.o
...
> veclib.o mdm.o pb_init.o constantph.o prn_dipoles.o ../lmod/lmod.a
> -L/usr/lib -lmass -L/usr/lib -lblas -L/usr/lib
> -lessl ../lapack/lapack.a ../blas/blas.a ../lib/nxtsec.o ../lib/sys.a
> ld: 0711-317 ERROR: Undefined symbol: .newtemp
> ld: 0711-317 ERROR: Undefined symbol: .getbias
> ld: 0711-345 Use the -bloadmap or -bnoquiet option to obtain more
> information.
> make: The error code from the last command is 8.
>
> This is probably due to IBM XL Fortran external name mangling. Google
> searching this error and got your name. I patched all of the current bug
> fixes including bugfix.59 (Sander with MMTSB support may fail to
> compile), but the patching doe not help.

Hmm, IBM usually mangles with CLINK_PLAIN; so those symbols look right.
Did you do a make clean after the patching ?

If a fresh build fails then send the output of

nm -A mmtsb.o mmtsb_client.o | grep -i newtemp

The symbols between those files need to match.

Scott

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