[Wien] dstart error in wien2k ver21_1

[Laurence Marks]

For dstart -p you must have an entry in the .machines file, please read the
UG.

On Thu, Sep 2, 2021 at 12:30 PM Ashwani Kumar <ashwani.ism at gmail.com> wrote:

> Ok, i will check the setup. Thanks.
> Settings in *.machine file is
> 1: localhost
> 1:localhost
> granularity:1
> extrafine:1
>
> System: intel xeon W processor, 12 cores (single processor), 64 gb ram.
>
> Regards,
> A. kumar
>
>
> On Thu, Sep 2, 2021 at 10:24 PM Laurence Marks <laurence.marks at gmail.com>
> wrote:
>
>> Please read!
>>
>> The message says that you cannot ssh to the same machine. This is a setup
>> issue. Without more information (.machines file) nobody can help; they
>> probably cannot help with the information as this is 99% probability an
>> issue of your OS setup, not Wien2k.
>>
>> _____
>> Professor Laurence Marks
>> "Research is to see what everybody else has seen, and to think what
>> nobody else has thought", Albert Szent-Györgyi
>> www.numis.northwestern.edu
>>
>> On Thu, Sep 2, 2021, 11:47 Ashwani Kumar <ashwani.ism at gmail.com> wrote:
>>
>>> Hello everyone,
>>>     Recently, I have upgraded wien2k version (from ver19 to ver21) and
>>> OS ( ubuntu 18.04 to 20.04 LTS). I have followed the procedure as described
>>> in thread
>>>
>>> https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg21134.html
>>> <https://urldefense.com/v3/__https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg21134.html__;!!Dq0X2DkFhyF93HkjWTBQKhk!D_wAO6wPa7cjHnAwiMWnH6C8wQztOBnMgSLEGImbk2SdDOcKg4gG8Q4VObCqZudSave-nw$>
>>> i am getting the error during initialization of the calculation for
>>> dstart.
>>>  " next is dstart
>>> >   dstart  -p > & .mist (17:12:16)
>>>  stop error"
>>>
>>> An empty "dstart.error" file is generated.
>>>
>>> When dstart program is called individually with and without -p switch,
>>> these are results.
>>> ser at user:~/WIEN2k/STO$ x dstart -p
>>> starting parallel dstart at Thursday 02 September 2021 05:22:41 PM IST
>>> -------- .machine0 : 1 processors
>>> running dstart remotely on localhost
>>> ssh: connect to host localhost port 22: Connection refused
>>> 0.053u 0.020s 0:00.07 100.0% 0+0k 0+48io 0pf+0w
>>> error: command   /apps/code/wien2k/dstartpara dstart.def   failed
>>> user at user:~/WIEN2k/STO$ x dstart
>>> STOP DSTART ENDS
>>> 1.659u 0.287s 0:00.45 428.8% 0+0k 0+600io 0pf+0w
>>>
>>>  dstart without -p executes successfully. With -p switch, def failed.
>>> Please help how to solve this.
>>>
>>> Regards,
>>> A. kumar
>>> _______________________________________________
>>> Wien mailing list
>>> Wien at zeus.theochem.tuwien.ac.at
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-- 
Professor Laurence Marks
Department of Materials Science and Engineering
Northwestern University
www.numis.northwestern.edu
"Research is to see what everybody else has seen, and to think what nobody
else has thought" Albert Szent-Györgyi
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