[GE users] gamess info

Reuti reuti at staff.uni-marburg.de
Tue Aug 22 17:23:27 BST 2006


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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>>
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