Dear All,
There have been several commits made to the CVS tree recently between May
12th 2009 and today. These have broken several test cases including causing
segfaults in any tests that use iwrap=2. It is clear that the test suite was
not run before these checkins were committed.
The majority of the changes would appear to be benign however someone would
appear to have totally hosed runmd.f.
For example:
Today:
call force(xx,ix,ih,ipairs,cartpos,f,ener(23),vir, &
xx(l96),xx(l97),xx(l98),xx(l99), qsetup, &
do_list_update)
#if defined(MPI) && defined(LES)
if ( ievb == 1 .and. i_qi > 0) then
call evb_umb ( f, cartpos, natom )
May 12:
call force(xx,ix,ih,ipairs,cartpos,f,ener(23),vir, &
xx(l96),xx(l97),xx(l98),xx(l99), qsetup, &
do_list_update,nstep)
#if defined(MPI) && defined(LES)
if ( ievb == 1 .and. i_qi > 0) then
call evb_umb ( f, cartpos, real_mass, natom, istart3, iend3 )
And yet none of the respective subroutine definitions for force or evb_umb
appear to have been updated. This is just the beginning of the mess that has
been created in runmd.f. I am shocked that this even compiles.
Thus I have restricted all checkins to the cvs tree until the changes that
were made can be backed out and the mess corrected.
Comments / Admissions of guilt are welcome.
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 | PGP Key available on request |
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Received on Fri May 22 2009 - 01:10:33 PDT
