Hi Josh,
> Anyway, the bug in question is where recent versions of ifc (11.1 in my
> case) refuse to compile what the devs insist is perfect fortran, giving
> the
> error message:
>
> pme_setup.f90(415): error #6404: This name does not have a type, and
> must
> have an explicit type. [NATOM]
> do n = 1, natom
I came across this one a few weeks ago in the AMBER 11 development tree and
addressed it in there. I forgot to make a patch for AMBER 10 though. I'll do
this. Thanks for reporting it.
> And also:
>
> in prmtop_dat.fpp:
>
> gbl_dihed_allocsize, next_mult_fac & !26
> nub, nubtypes, & !28
>
> to:
>
> gbl_dihed_allocsize, next_mult_fac, & !26
> nub, nubtypes, & !28
>
> inserting a single comma.
This was introduced by bugfix.31:
********>Bugfix 31:
Prepared by: Bob Duke
Date: 2/6/2010
Programs: pmemd
Description: Some systems, such as from the extra points versions of
GLYCAM,
have more "extra points" than was allowed for in the original
code.
Usage: Apply the following patch in $AMBERHOME/src/pmemd/src/
- gbl_dihed_allocsize, &
!26
+ gbl_dihed_allocsize, next_mult_fac &
!26
nub, nubtypes, &
!28
I'm not sure how this ever managed to compile since it certainly isn't valid
Fortran. I'll add this fix to the bugfix that addresses the ifort issue.
All the best
Ross
/\
\/
|\oss Walker
| Assistant Research Professor |
| San Diego Supercomputer Center |
| Tel: +1 858 822 0854 | EMail:- ross.rosswalker.co.uk |
|
http://www.rosswalker.co.uk |
http://www.wmd-lab.org/ |
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Received on Fri Apr 16 2010 - 09:00:04 PDT
