[Wien] SRC_mixer files

[Paresh Chandra Rout]

It works without MPI . But with MPI the problem still there.

On Sat, Sep 24, 2016 at 9:14 PM, Laurence Marks <L-marks at northwestern.edu>
wrote:

> 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
>>>> ------------------------------------------------------------------
>>>> Phys.-Techn. Institute of Ural Br. of Russian Ac. of Sci.
>>>> 426001 Izhevsk, ul.Kirova 132
>>>> RUSSIA
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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:
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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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