[molpro-user] weird issue with MOLPRO 2010.1 binaries

[Manhui Wang]

Dear Jan,

Reuti's suggestion is helpful. If you like to use ssh rather than rsh,
you can reset the environmental variable TCGRSH without recompiling Molpro:

export TCGRSH=/usr/bin/ssh ( for bash, the path might be different)

setenv TCGRSH /usr/bin/ssh  (for csh)

Best wishes,
Manhui


Reuti wrote:
> 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
>>>>
>>>> -
>>>> _______________________________________________
>>>> Molpro-user mailing list
>>>> Molpro-user at molpro.net <mailto:Molpro-user at molpro.net>
>>>> http://www.molpro.net/mailman/listinfo/molpro-user
>>>
>>> ------------------------------------------------------------------------
>>>
>>> _______________________________________________
>>> Molpro-user mailing list
>>> Molpro-user at molpro.net
>>> http://www.molpro.net/mailman/listinfo/molpro-user
>> -- 
>> -----------
>> Manhui  Wang
>> School of Chemistry, Cardiff University,
>> Main Building, Park Place,
>> Cardiff CF10 3AT, UK
>> Telephone: +44 (0)29208 76637
>> _______________________________________________
>> Molpro-user mailing list
>> Molpro-user at molpro.net
>> http://www.molpro.net/mailman/listinfo/molpro-user
> 

-- 
-----------
Manhui  Wang
School of Chemistry, Cardiff University,
Main Building, Park Place,
Cardiff CF10 3AT, UK
Telephone: +44 (0)29208 76637