amber-developers: status of psander

From: Thomas E. Cheatham, III <>
Date: Fri, 14 Nov 2003 16:38:26 -0700

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 (

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
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