[molpro-user] weird issue with MOLPRO 2010.1 binaries

[Reuti]

Am 21.09.2010 um 18:43 schrieb Manhui Wang:

> Hi,
> 
> Kirk Peterson wrote:
>> Hi Jan,
>> 
>> I agree it's strange that it works interactively but not through PBS.
>> Perhaps to put this rsh vs. ssh stuff to rest you could try the following:
>> 
>> 1)  put the following in your .cshrc file so that it is set on all your
>> nodes:   setenv RSHCOMMAND /usr/bin/ssh
>> 
>> 2)  if that doesn't help, just make a soft link (on all nodes) that
>> points /usr/bin/rsh to /usr/bin/ssh
>> 
>> Manhui:  why is rsh the default and not ssh for the parallel binaries?
>> No one uses rsh any more.....
> The current parallel molpro binaries are still built using GA with
> TCGMSG, which is very portable, and the default connection in TCGMSG is
> rsh.

For TCGMSG it can be changed by setting TCGRSH I think.

-- Reuti


> We are considering using GA with TCGMSG-MPI in future versions.
> 
> After discussion with Jan, he has found the problem lies in that the HPC
> cluster has two kinds of networks, and is looking for a solution.
> 
> Regards,
> Manhui
> 
>> 
>> regards,
>> 
>> Kirk
>> 
>> On Sep 20, 2010, at 10:24 AM, 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
>>> 
>>> -
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>> 
>> 
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> -- 
> -----------
> Manhui  Wang
> School of Chemistry, Cardiff University,
> Main Building, Park Place,
> Cardiff CF10 3AT, UK
> Telephone: +44 (0)29208 76637
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