AMBER: Re: Problem in compiling sander with MMTSB

From: Scott Brozell <sbrozell.scripps.edu>
Date: Wed, 14 Jun 2006 20:29:57 -0700

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

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Sun Jun 18 2006 - 06:07:11 PDT
Custom Search