[molpro-user] Shared memory problem using RPMs

Scott Yockel yockel at unt.edu
Thu Sep 16 06:09:32 BST 2004

Molpro users,

I am having a shared memory problem on my dual-proc Opteron based cluster under
linux.  Currently I'm running latest 32-bit Alhlon molpro 2002.6 mpp builds.  It
runs fine in dual proc when running interactivly submitting strait from the
command line.  However, when submitting through a batch system (OpenPBS) then I
get the following output:

Nolocal= 1
Parlib= 0
Local machine n06.priv0.unt.edu not in node list!

What I assume is different is the tty control from the queuing system has now
lead molpro to try to look for distributed memory and other nodes, which we only
want it to run a local 2proc SMP-type job.  If the "Nolocal=1" is a boolean type
(true/false) switch, can it be turned off, and how?  Or is there any other type
of environment variable that I'm not aware of that needs to be set to fix this
problem?  Also, this system came prebuild with quite a bit of mpi and pvm type
of libraries intended for distributed memory.  Is is possible that they share
something in common with molpro that might foul up running 2proc SMP-type jobs
on these operons locally ?  

Also, has there been any completely successful 64-bit compiles of Molpro2002.6
on a Opteron based cluster, and if so are there any makefiles for this?

Thanks so much for the help,

Scott Yockel
University of North Texas
Department of Chemistry
New CHEM building
Room 262C

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