[Wien] Wienncm

[Peter Blaha]

I already told you, you need to change your .machines file. The syntax:
1:host:4
is not supported since it applies to a mpi-parallelization, but you can only do k-parallelization.

Am 17.05.2012 19:22, schrieb Hena Das:
> Hi Lyudmila Dobysheva,
>
> lapw1 has created some of the files, such as .processes, .machine1, .machine2, lapw*.def, lapw1.error, script. However .machine1 and .machine2 files are empty, which is supposed to be not the case. I have not received any messages in /var/mail/my_account regarding the Wienncm job.
>
> Waiting for your next suggestion.
>
> Thank you,
> Hena
>
>
>
>
> ________________________________________
> From: wien-bounces at zeus.theochem.tuwien.ac.at [wien-bounces at zeus.theochem.tuwien.ac.at] on behalf of Hi  [lyuka17 at mail.ru]
> Sent: Wednesday, May 16, 2012 11:11 AM
> To: A Mailing list for WIEN2k users
> Subject: Re: [Wien] Wienncm
>
>>   >  On 11.05.2012 22:12, Hena Das wrote:
>>   >>  (2) In lapw1.error:
>>   >>  ** Error in Parallel LAPW1
>>   >>  ** LAPW1 STOPPED at Fri May 11 11:51:59 EDT 2012
>> On 14.05.2012 20:19, Hena Das wrote:
>>   >  I tried to do without -p option, i.e serial run, it works perfect.
>>   >  I think the problem is in parallel run
> On 15.05.2012 19:58, Hena Das wrote:
>> 2. Look in output1 and all other files that should be written by lapw1
>> of ncm.
>> The program completed law0 and made the corresponding output files.
>> However, output1 files had not been created, it might indicates lapw1
>> crashed at the beginning.
>
> As far as I understood lapw1 does not create any file, lapw1.error also,
> is it correct?
> Try to find the diagnostic, for example in my computer, a program sends
> a copy of diagnostic to the file /var/mail/my_account.
> Look in your system the file /var/mail/your_account
> maybe there is a letter from computer.
>
> I suspect that somewhere is a diagnostic like "error while loading
> shared libraries"
>
> Best wishes
>     Lyudmila Dobysheva
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-- 

                                       P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-165300             FAX: +43-1-58801-165982
Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
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