[XtalOpt-devel] Xtalopt considers OK runs "failures"

[ezurek at buffalo.edu]

Dear Ron,

sorry for my misunderstanding! Now I got it.

The only way to get rid of the running jobs would be to set continuous 
structures to zero, and then to manually kill all of the running jobs by 
right clicking on them in the progress tab and choosing kill structure. I 
agree this is annoying, and we will put the stop button option on our 
to-do list.

Thanks!
Eva

> Yes, thank you. But actually nothing stops a run except to kill
> avogadro, and that leaves all the jobs running and queued that are
> currently running and queued.The resume works pretty well, which is
> good as our head node has been crashing regularly! Ron
>
>
> On Wed, May 1, 2013 at 5:24 PM,  <ezurek at buffalo.edu> wrote:
>>
>> I forgot, actually one can stop a run. And then afterwards when one opens a
>> new XtalOpt session one can choose "Resume stored session" then choose
>> xtalopt.state or xtalopt.state.old and then one has the option to start
>> submitting jobs (or just to visualize the output of the run).
>>
>> Eva
>>
>>>> Another useful feature would be a stop button, with an option to kill
>>>> jobs or not. For example I would have to kill this run if I wanted to
>>>> change the code. These runs take weeks.
>>>
>>>
>>> These won't happen until a new maintainer comes along, but I agree,
>>> they'd be useful features.
>>>
>>> Dave
>>> _______________________________________________
>>> XtalOpt-Devel mailing list
>>> XtalOpt-Devel at lists.openmolecules.net
>>>
>>> http://lists.openmolecules.net/listinfo.cgi/xtalopt-devel-openmolecules.net
>>>
>>>
>>>
>>
>> ---------------------------------------------------
>> Dr. Eva Zurek
>>
>> Assistant Professor
>> Department of Chemistry
>> University at Buffalo
>> State University of New York
>> 331 Natural Sciences Complex
>> Buffalo, NY 14260-3000
>>
>> email:  ezurek at buffalo.edu
>> phone:  +1-716-645-4332
>> fax:    +1-716-645-6963
>> www:    http://www.acsu.buffalo.edu/~ezurek/
>> ---------------------------------------------------
>
>
>

---------------------------------------------------
Dr. Eva Zurek

Assistant Professor
Department of Chemistry
University at Buffalo
State University of New York
331 Natural Sciences Complex
Buffalo, NY 14260-3000

email:  ezurek at buffalo.edu
phone:  +1-716-645-4332
fax:    +1-716-645-6963
www:    http://www.acsu.buffalo.edu/~ezurek/
---------------------------------------------------