[Swift-devel] Q about MolDyn

[Veronika Nefedova]

On Aug 6, 2007, at 11:51 AM, Ioan Raicu wrote:

> If there are no leftover directories, it could mean one of two things:
> 1) the job submission failed and the job never made it out to a  
> remote resource to create directories and execute
> 2) the job went through to the remote resource, created  
> directories, executed, finished with an exit code of 0, cleaned up  
> directories, ...
>
> In both instances, there are no directories at the end.  What we  
> are missing is the logs to determine which of the two cases from  
> above happened.  Note that there were absolutely no Exceptions  
> thrown in the Falkon logs, so I would be cautious to rule out (2)  
> from above.
>
> Just for a sanity check, can you run those two molecules manually,  
> just to double check that they work!  Could we do a 2 molecule run  
> through Swift with just the two suspect molecules to see if those 2  
> molecules complete OK?

I started those 2 molecules via GRAM. I have no trust in m179  
finishing completely since I didn't change anything. I hope for m050  
to finish though...
You can watch the swift log on viper in ~nefedova/alamines/MolDyn-2- 
loops-be9484k93kk21.log

Nika

> Then, let's try another run with 244 molecules soon, as most of ANL/ 
> UC is free!
>
> Ioan
>
> Veronika Nefedova wrote:
>> m050 worked just fine last time we ran 244 molecules. And it  
>> doesn't look like an application failure but rather a job  
>> submission failure (no leftover directories).
>> m179 failed the last time we ran it but I thought it was fixed?  
>> Yuqing - could you please verify that I am using the right  
>> antechamber code on tg-uc.
>>
>> Nika
>>
>> On Aug 6, 2007, at 11:34 AM, Ben Clifford wrote:
>>
>>> have you tried running those molecules individually?
>>> -- 
>>>
>>
>>
>