Scott- I tracked this problem down to something you recently changed in
sander.f
! SRB 07/2007 added pimd initialization for neb; this should be
verified!
if ( ipimd > 0 .or. ineb > 0 ) then
this causes the same variables to be allocated in pimd_init and neb_init.
was there a reason for needing this, or should I revert it back?
thanks
Carlos
On 9/6/07, Carlos Simmerling <carlos.simmerling.gmail.com> wrote:
>
> is the neb test case failing for anyone else with the current amber10 CVS
> version?
> The test case as well as my own runs are giving me
>
> ASSERTion 'ierr.eq.0' failed in pimd_init.f at line 240.
>
> I don't see anything obviously wrong with that code.
>
> just checking to see if anyone else is seeing this.
> carlos
Received on Sun Sep 09 2007 - 06:07:23 PDT
