[molpro-user] weird issue with MOLPRO 2010.1 binaries

Reuti reuti at staff.uni-marburg.de
Tue Sep 21 10:48:48 BST 2010


Am 21.09.2010 um 10:53 schrieb Manhui Wang:

> Generally speaking, if molpro binary works on one node of the cluster
> locally, it should work on a single node via PBS, too. I have tested it
> via PBS on our cluster, and I haven't seen such problem.
> Could you check how your PBS works?
> For example, if rsh is disabled, when you start binary molpro on head
> node but want to run on other node of the cluster like

even a compiled in `rsh` can often be redefined at runtime to use another command. And some parallel libs perform a local `rsh`, instead of creating threads - this might explain the error he gets.

-- Reuti

> molpro -N comartin:cfa082:4
> This can't work because molpro has to login in the node cfa082 by rsh,
> and then runs.
> Best wishes
> Manhui
> Gershom (Jan M.L.) Martin wrote:
>> rsh between nodes is disabled, only ssh is allowed. 
>> 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
>> <mailto: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
>> -
> -- 
> -----------
> Manhui  Wang
> School of Chemistry, Cardiff University,
> Main Building, Park Place,
> Cardiff CF10 3AT, UK
> Telephone: +44 (0)29208 76637
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