[Wien] SRC_mixer files

[Laurence Marks]

Do you mean that with a fresh directory it works fine without mpi, fails
with mpi or what?

If it works fine without mpi, not with mpi then you have something wrong
with your mpi and should talk to a sys admin to check your compilation
options and what mpi to use.

This is starting to sound like you made an error in your initialization.

On Sat, Sep 24, 2016 at 10:24 AM, Paresh Chandra Rout <
pareshchandra at iiserb.ac.in> wrote:

> Hello Sir,
>
> I also tried with the new mixer but did not improve anything. I started
> with a fresh directory but in headnode of  HPC with k-point paralleisation
> (i.e sequentialy) and it works fine.
>
> On Sat, Sep 24, 2016 at 7:47 PM, Laurence Marks <L-marks at northwestern.edu>
> wrote:
>
>> Dear Lyudmila,
>>
>> From the output files the bug appears to be something real in the current
>> web version of the mixer, as I cannot see anything catastrophically wrong
>> in his output files. I am trying to track it down with Paresh, there is at
>> least one thing odd with the HPC system he is using (it does not like the
>> includes in W2kutils.c) so might well be a system/compiler specific issue.
>>
>> On Sat, Sep 24, 2016 at 9:11 AM, Lyudmila Dobysheva <lyuka17 at mail.ru>
>> wrote:
>>
>>> 24.09.2016 00:31, Paresh Chandra Rout :
>>>
>>> I cannot find in your discussion some info:
>>> 1) does error repeat in sequential (not parallel) mode?
>>> 2) parallel over k-points (not mpi)?
>>> 3) it is when one k-point? what happens when several is taken?
>>> 4) put simply in terminal the task (not in a batch mode), what is
>>> written?
>>> 5) are all error files empty?
>>>
>>> To check all this, start with a fresh directory.
>>>
>>> Best wishes
>>>    Lyudmila Dobysheva
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>>
>>
>>
>> --
>> Professor Laurence Marks
>> "Research is to see what everybody else has seen, and to think what
>> nobody else has thought", Albert Szent-Gyorgi
>> www.numis.northwestern.edu ; Corrosion in 4D:
>> MURI4D.numis.northwestern.edu
>> Partner of the CFW 100% program for gender equity, www.cfw.org/100-percen
>> t
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>


-- 
Professor Laurence Marks
"Research is to see what everybody else has seen, and to think what nobody
else has thought", Albert Szent-Gyorgi
www.numis.northwestern.edu ; Corrosion in 4D: MURI4D.numis.northwestern.edu
Partner of the CFW 100% program for gender equity, www.cfw.org/100-percent
Co-Editor, Acta Cryst A
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