> most of you should not be affected by this one, but anyway,
> here it goes:
>
> --- sander.f 2006-04-03 19:35:55.000000000 -0400
> +++ sander.f 2007-01-27 21:49:31.000000000 -0500
> .. -1004,7 +1004,7 ..
> if( ntb>0 .and. ifbox==1 .and. ew_type==0 .and. mpoltype==0 ) &
> call deallocate_m1m2m3()
> call AMOEBA_deallocate
> -
> + close (6)
> return
>
> end subroutine sander
>
> [shows up in multisander runs (some compilers); sander.MPI
> dies with the message 'UNIT 6: error on open' (or something
> like that)]
Which compilers?
Also this fix is incomplete. Firstly only the master mpi thread called
amopen so I believe this should be:
if (master) close(6)
Secondly multisander when it completes calls mexit which will also close
this file which means there is a second bug being introduced by this patch
in that the code will try to close an already closed file. I am suprised
that a compiler that refuses to open an already open file also does not
refuse to close and already closed file.
There should be a cleaner way to do this. Probably something along the lines
of an edit in mexit.f to be:
if (output_unit > 0 .and. status/=0) then
close(unit=output_unit)
end if
Maybe I'll put a bugfix together for this if I get a chance but I'd like to
know what compilers give a problem first though.
ps. please start posting under your real name or don't bother.
All the best
Ross
/\
\/
|\oss Walker
| HPC Consultant and Staff Scientist |
| San Diego Supercomputer Center |
| Tel: +1 858 822 0854 | EMail:- ross.rosswalker.co.uk |
|
http://www.rosswalker.co.uk | PGP Key available on request |
Note: Electronic Mail is not secure, has no guarantee of delivery, may not
be read every day, and should not be used for urgent or sensitive issues.
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Sun Jan 28 2007 - 06:08:14 PST
