[molpro-user] weird issue with MOLPRO 2010.1 binaries

Reuti reuti at staff.uni-marburg.de
Tue Sep 21 10:46:22 BST 2010


Hi,

Am 20.09.2010 um 19:24 schrieb Gershom (Jan M.L.) Martin:

> rsh between nodes is disabled, only ssh is allowed. 

the question is also: what is compiled into the parallel binary of Molpro? GA with Open MPI?

-- Reuti 


> I am not trying to run across nodes at all, and running interactively on one of the nodes works just fine. It's when I try to run a Torque/PBS job (again, ON A SINGLE NOTE) that I get this error message. I looked again and again at the environments in both cases and do not understand what is different.
> 
> Is there any way to tell molpro from the command line "ignore the nodes file, I just want to run locally" or something?
> 
> Thanks!
> Jan
> 
> On Mon, Sep 20, 2010 at 4:17 AM, Manhui Wang <wangm9 at cardiff.ac.uk> wrote:
> Dear Jan,
> 
> Can you log in other nodes by rsh without password? The default
> connection is rsh(not ssh) in binary version when it is run across
> nodes. If you run binary molpro on local node, there is no such requirement.
> 
> Best wishes,
> Manhui
> 
> -
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