[molpro-user] SGI Altix / ccsd(t) / MPI run does not complete

Jeffrey Frey frey at UDel.Edu
Tue Oct 18 17:13:07 BST 2005

I've just finished compiling Molpro 2002.6 [MPP] on an Altix and the  
machine's owner has begun some tests with the software.  The only  
hitch we've run into is in a ccsd(t) calculation; up until the  
saveccsd procedure is called things function normally, but then the  
whole slew of mpirun-spawned processes just hang, indefinitely.  I  
went into molproi.rc to figure out where the problem was occurring,  
and added "text," lines between each line in saveccsd and savex.  As  
a result I didn't figure out where the hang happened, the run  
actually finished.

Is this (a) a known bug and I'm just not up on my patches (b)  
something others have seen and/or fixed (c) something completely new?

Host info:
   16 processor Altix
   uname -a
   Linux ______ 2.6.5-7.155.29-sn2 #1 SMP Thu Jun 2 12:07:05 UTC 2005  
ia64 ia64 ia64 GNU/Linux

   Jeffrey T. Frey
   Systems Programmer III / Cluster Management
   Network & Systems Services / College of Engineering
   University of Delaware, Newark DE  19716
   Office: (302) 831-6034  Mobile: (302) 275-3143

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