Howdy :)
psander is the only program that is not compiled and tested on a
nightly basis on our 6 test platforms: ifc, sgi, compaq, hp, hp -mpi,
and efc (on our altix). psander is expected to be added very soon to
the install target.
I invite all to commit test cases for new, and even old, code.
46 days until Dave freezes the code.
Scott
On Fri, 14 Nov 2003, Thomas E. Cheatham, III wrote:
>
> Howdy all, I am starting to play with the current amber8 sources in
> greater detail. From the earlier messages, it sounds like psander is
> available and needs testing... I am trying to compare sander, pmemd and
> psander for large systems.
>
> I've encounted my first problem, re-assignment of a do loop variable
(ind)
> in spatial_comm.f from the CVS tree of today.
>
> line 147 in spatial_comm.f, ind=pe_list(i)
> ind is the do loop variable.
>
> I replaced the ind variable with a new one (j) and it compiles now.
>
> Also, having not read the manual, I didn't realize that you had to
>
> make psander
>
> to get it to link and compile properly...
>
> Although it compiles fine now, unfortunately the runs are hanging
(running
> on a itanium cluster (titan.ncsa.uiuc.edu)).
>
> Am I trying this a little to early and/or is there some trick I need to
> get it to work?
>
> thanks, tom
>
>
>
>
>
Received on Wed Apr 05 2006 - 23:50:07 PDT
