[GE users] gamess info

Reuti reuti at staff.uni-marburg.de
Tue Aug 22 19:18:15 BST 2006


Am 22.08.2006 um 19:06 schrieb lukacm at pdx.edu:

> Hello,
>
> i made all the modifications, including the gamess running under rsh
> (fortunately it does not require recompiling the source code),  
> however the
> result is the same. In the output file for every job i see also this:

Did you got the same error message "connection refused" with rsh and  
the rsh-wrapper? Is there a firewall on the machines?

-- Reuti


>
> Warning: no access to tty (Bad file descriptor).
> Thus no job control in this shell.
>
>
> I had smilar messages for other applications, but i was wondering  
> if it can be
> here the source of the problems?
>
> thank you
>
> martin
>
>
>
> Quoting Reuti <reuti at staff.uni-marburg.de>:
>
>> Am 22.08.2006 um 18:17 schrieb lukacm at pdx.edu:
>>
>>> ssh is used and tested.
>>
>> But this way you won't get a Tight Integration. It would be better,
>> to stay with GAMESS with a plain rsh, setup a Tight Integration, i.e.
>> the rsh will be caught and replaced by the SGE's own qrsh method.
>>
>> -- Reuti
>>
>>
>>> martin
>>>
>>> Quoting Reuti <reuti at staff.uni-marburg.de>:
>>>
>>>>
>>>> Am 21.08.2006 um 22:02 schrieb lukacm at pdx.edu:
>>>>
>>>>> As i said it worked with rungms. When i run the subgms, it works ,
>>>>> it submit the
>>>>> file but then i get these errors in the gamess error log:
>>>>>
>>>>> error: executing task of job 3799 failed:
>>>>> error: commlib error: access denied (client IP resolved to host
>>>>> name "". This is
>>>>> not identical to clients host name "")
>>>>> error: executing task of job 3799 failed: failed sending task to
>>>>> execd at compute-0-6: can't find connection
>>>>> error: commlib error: access denied (client IP resolved to host
>>>>> name "". This is
>>>>> not identical to clients host name "")
>>>>> error: executing task of job 3799 failed: failed sending task to
>>>>> execd at compute-0-2: can't find connection
>>>>> error: commlib error: access denied (client IP resolved to host
>>>>> name "". This is
>>>>> not identical to clients host name "")
>>>>> error: executing task of job 3799 failed: failed sending task to
>>>>> execd at compute-0-11: can't find connection
>>>>> IRCDATA: Undefined variable.
>>>>> compute-0-12.local: Connection refused
>>>>> compute-0-6: Connection refused
>>>>> compute-0-2: Connection refused
>>>>> compute-0-11: Connection refused
>>>>
>>>> Did you compile GAMESS to use ssh or rsh? - Reuti
>>>>
>>>>
>>>>> It looks like the main host, the first one that should be running
>>>>> the master job
>>>>> is not started up. Similar errors appear if i run gamess, for
>>>>> multiple machines,
>>>>>  when the master node is not the first on in the hostlist  
>>>>> settings.
>>>>> For example
>>>>> if i run something like:
>>>>>
>>>>> /home/visible/apps/gamess/ddikick.x /home/visible/apps/gamess/
>>>>> gamess.01.x exam20
>>>>> -ddi 2 2 compute-0-0:cpus=1 compute-0-1:cpus=1 -scr /home/lukacm/
>>>>> scr/
>>>>>
>>>>> from main node called rocks.research.pdx.edu, the result is the
>>>>> same. However it
>>>>> works if i run something like :
>>>>>
>>>>> ssh compute-0-0 /home/visible/apps/gamess/ddikick.x
>>>>> /home/visible/apps/gamess/gamess.01.x exam20 -ddi 2 2
>>>>> compute-0-0:cpus=1
>>>>> compute-0-1:cpus=1 -scr /home/lukacm/scr/
>>>>>
>>>>> I attached an example of the generated script from subgms, for a
>>>>> given job. I
>>>>> did not made any modifications to subgms_export.
>>>>>
>>>>> The environment is set up according to the specifications and bot
>>>>> startgames.sh
>>>>> and stopgamess.sh are correctly installed.
>>>>>
>>>>>
>>>>> thank you
>>>>>
>>>>> martin
>>>>>
>>>>>
>>>>> Quoting Reuti <reuti at staff.uni-marburg.de>:
>>>>>
>>>>>> Sure, it worked for me.
>>>>>>
>>>>>> Hi Martin,
>>>>>>
>>>>>> what problems did you encounter? What did you set up in  
>>>>>> detail? For
>>>>>> me the rungms script was a little bit to convoluted, and so I  
>>>>>> tried
>>>>>> to shrink it as much as possible.
>>>>>>
>>>>>> -- Reuti
>>>>>>
>>>>>>
>>>>>> Am 21.08.2006 um 21:13 schrieb lukacm at pdx.edu:
>>>>>>
>>>>>>> Hello,
>>>>>>>
>>>>>>> i followed the proceedure describe in the mailing lists about  
>>>>>>> how
>>>>>>> to integrate
>>>>>>> the gamess into SGE, however i could not make it run. I was
>>>>>>> wondering if there
>>>>>>> is someone who had it succesfully run or who would be using the
>>>>>>> rungms script
>>>>>>> with SGE.
>>>>>>>
>>>>>>> the rungms script is working and i can get a parallel  
>>>>>>> execution of
>>>>>>> the program
>>>>>>> however i was not able to run gamess using the method  
>>>>>>> provided at:
>>>>>>> http://gridengine.sunsource.net/servlets/ReadMsg?
>>>>>>> list=users&msgNo=8769
>>>>>>>
>>>>>>> thank you
>>>>>>>
>>>>>>> martin
>>>>>>>
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>>>>>>
>>>>>
>>>>>
>>>>>
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