Dear all,
The use of such ifdef constructs as:
#ifdef PBSA
#include "timer.h"
#endif
and
#ifdef PBSA
use timer_module
#endif
in ./src/sander/{pb,np}_*.f is causing the makedepend script to fail
prematurely and producing an incomplete depends file:
<...snip...>
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
....fail....
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.
regard,
--
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
