[Pw_forum] Fwd: Band calculation gets terminated

[Aditya Putatunda]

Hello Trinh,
                Thanks once again for your reply. Actually I knew from my
system-admin that my machine is quadsocket 64 core shared memory theory
workstation with 16 processors per socket. In simple terms, you may say the
machine I am using has only one node where all the 64 processors access the
same memory (it's just like a big computer with 64 processors). So please
suggest me a way to solve this as I am new to QE.

Thanks,
Aditya


On Wed, Aug 27, 2014 at 5:58 PM, Aditya Putatunda <adityaputatunda at gmail.com
> wrote:

> Hi all,
>          Thanks a lot for your replies. I am attaching the input files as
> you asked.  I can send the output files too in case you need them.
>
>
> Thanks,
> Aditya
>
>
> On Wed, Aug 27, 2014 at 2:04 AM, Vo, Trinh (398C) <Trinh.Vo at jpl.nasa.gov>
> wrote:
>
>>  Hi Aditya,
>>
>>  I have similar problem before with a  nscf run.  I finally found out
>> that it  was due to bus problem,  since my job was very big.  I reduced the
>> number of CPUs per node (and of course increased number of nodes), then it
>> worked.  You may try it again with this way to see if it solves your
>> problem.
>>
>>  Trinh
>>
>>   From: Aditya Putatunda <adityaputatunda at gmail.com>
>> Reply-To: PWSCF Forum <pw_forum at pwscf.org>
>> Date: Tuesday, August 26, 2014 9:28 AM
>> To: "pw_forum at pwscf.org" <pw_forum at pwscf.org>
>> Subject: [Pw_forum] Fwd: Band calculation gets terminated
>>
>>   Hello all,
>> Sorry to state, but I got no reply. I am still getting the same error
>> while doing nscf for the DOS calculations. Please help me figure out the
>> problem why the application terminates without putting the JOB DONE quote.
>> Moreover I cannot use the results further for plotting the DOS.
>>
>>  Thanks,
>> Aditya
>>
>> ---------- Forwarded message ----------
>> From: Aditya Putatunda <adityaputatunda at gmail.com>
>> Date: Thu, Aug 21, 2014 at 8:46 AM
>> Subject: Band calculation gets terminated
>> To: pw_forum at pwscf.org
>>
>>
>> Hi all,
>> I was doing a bands calculation for a non-metallic system of about 60
>> atoms. But each time the pw.x process terminates with the last line "
>> Writing output data file *filename*.save      " in the bands.out file. Now
>> further when I try to collect the bands calculated by pw.x using bands.x,
>> the process terminated abruptly with no CRASH file. Also the temp files are
>> quite large ( >750Mb).
>>
>>  I am using parallel version 5.0.1 on 48 processors and have no
>> disk/memory issues in my workstation. Has someone come across this problem
>> or is it some system/machine specific error. Please enlighten me.
>>
>>  -Aditya
>> NISER, Bhubaneswar,
>> India
>>
>>
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>>
>
>
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