[AMBER-Developers] Use of ifdef'ed includes and "use module x" in many {pb, np}_*.f files is breaking ./src/sander/makedepend

From: Mark Williamson <mjw.sdsc.edu>
Date: Thu, 18 Feb 2010 20:15:16 -0800

Dear all,

The use of such ifdef constructs as:

        #ifdef PBSA
        #include "timer.h"


        #ifdef PBSA
           use timer_module

in ./src/sander/{pb,np}_*.f is causing the makedepend script to fail
prematurely and producing an incomplete depends file:

pb_exmol.o: pb_exmol.f
         $(FPP) pb_exmol.f > _pb_exmol.f
         $(FC) -c $(FOPTFLAGS) -o $. _pb_exmol.f

No file name associated with module timer_module

I'm not sure if the makedpend perl script should be updated to support
this situation or just remove these lines from the pb_*.f files. What do
you think?

Secondly, have the pb_{read,write,init}.f files gone?

        _ene.f(563): (col. 7) remark: LOOP WAS VECTORIZED.
        make: *** No rule to make target `pb_read.o', needed by `sander'. Stop.

If so, it would be great if the Makefile could be updated to reflect
this and well as various calls to routines that were in these files:

pb_force.o(.text+0x3f6b): In function `poisson_boltzmann_mp_pb_fdfrc_':
: undefined reference to `pb_print_'
sander.o(.text+0x5940): In function `sander_':
: undefined reference to `pb_free_'
mdread.o(.text+0x328f): In function `mdread1_':
: undefined reference to `pb_read_'
mdread.o(.text+0xde52): In function `mdread2_':
: undefined reference to `pb_init_'
make: *** [sander] Error 1

I would fix this myself, but I'm not sure if this is an accidental omission.


Mark Williamson, Post Doc
Walker Molecular Dynamics Group
Room 395E
San Diego Supercomputer Center
9500 Gilman Drive
La Jolla, CA 92093-0505
Email:  mjw at sdsc.edu
Office: 858-246-0827
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Received on Thu Feb 18 2010 - 20:30:04 PST
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