[Wien] SRC_mixer files

Sat Sep 24 18:18:22 CEST 2016

We have both the option but I installed it through impi. That was working
fine before. I had done lot of calculation using mpi parallelisation . This
error is all of sudden . Anyway I will talk to our HPC administrator
regarding the issue and let you know if it works . Thank you very much for
all the prompt response.

Kind Regards,
Paresh

On Sat, Sep 24, 2016 at 9:37 PM, Laurence Marks <L-marks at northwestern.edu>
wrote:

> Then the problem is your mpi installation. Please check with a sys admin
> what you are using, for instance openmpi or impi. For the different cases
> you need different options. This has nothing to do with the mixer.
>
> On Sat, Sep 24, 2016 at 11:05 AM, Paresh Chandra Rout <
> pareshchandra at iiserb.ac.in> wrote:
>
>> 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:
>>>>> MURI4D.numis.northwestern.edu
>>>>> Partner of the CFW 100% program for gender equity,
>>>>> www.cfw.org/100-percent
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>>>>> Co-Editor, Acta Cryst A
>>>>>
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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
>>> <https://urldefense.proofpoint.com/v2/url?u=http-3A__www.cfw.org_100-2Dpercent&d=CwMFaQ&c=yHlS04HhBraes5BQ9ueu5zKhE7rtNXt_d012z2PA6ws&r=U_T4PL6jwANfAy4rnxTj8IUxm818jnvqKFdqWLwmqg0&m=mFcz0Qh_SFt2-VQp-8PB9ZoR_lIQZc4m1W6glxBbbZQ&s=0yaSJAsKFrUuDduyHLVoLGD7OIh_MgYqj6ofqLIEhok&e=>
>>> Co-Editor, Acta Cryst A
>>>
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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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>
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