Re: [Wien] error in x spaghetti for parallel computing

2016-02-17 Thread Dr. K. C. Bhamu
Dear Prof blaha and all
my problem is now resolved.

Thanks








*Dr. K. C. Bhamu(UGC-Dr. D.
S. Kothari Postdoc Fellow)Department of PhysicsGoa University, Goa-403
206IndiaMob. No.  +91-9975238952*

On Wed, Feb 17, 2016 at 1:45 PM, Dr. K. C. Bhamu 
wrote:

> Dear Wien2k Prof Blaha and Gavin
>
> I ran my job on remote server using two nodes (64 cores).
>
> Everything went fine till" x lapw2 -p -band -qtl (checked with cat *.error).
>
> I inserted :FER into case.insp
>
> Then I ran x spaghetti and the following error occured:
>
>
> ERROR IN OPENING UNIT:   7
> FILENAME:
>  orthorhombic_1.output1
> STATUS: old  FORM:formatted
> OPEN FAILED
> 0.0u 0.0s 0:00.08 0.0% 0+0k 2008+0io 10pf+0w
> --
>
> I checked the DIR but there was no case.output1 file while case.output2 was 
> present.
>
> What may be the error? I submitted the job trice: 1. for scf, 2. x lapw1 
> -band -p, 3. x lapw2 -band -p -qtl.
>
> Should I have to bind the job in case.output1 file? If yes please suggest any 
> command.
> ***
>
>
>
> Yours
>
> truly
>
> Bhamu
>
>
>
>
>
>
>
>
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Re: [Wien] error in x spaghetti for parallel computing

2016-02-17 Thread Peter Blaha

When you do a parallel calculation you have to add-p   to spaghetti

x spaghetti -p

-

I guess the problem for lapw2 occurred when you resubmitted another 
batch job (without x lapw1 -p -band).


This is clear, because only the lapw1 step creates suitable .machine* 
and .processes files, which are needed in lapw2 and they have to be 
compatible with the node-list of the current batch job.


Simply insert into your job script:

x lapw1 -p -d

before thex lapw2 step.

On 02/17/2016 09:23 AM, Dr. K. C. Bhamu wrote:

One more thing:

When I checked the output file of x lapw2 -band then I got the following
massage:

running lapw2 in parallel mode
calculating QTL's from parallel vectors
ssh: connect to host nid01520 port: Connection refused^M
 lines are repeatitativelly written here for around 50times for this
node
ssh: connect to host nid01521 port: Connection refused^M
 lines are repeatitativelly written here for around 50 times for
this node
LAPW2 END
490.570u 24.737s 11.05.91 77.3% 0+0k 79259539+1284375io 8pf+0w

Sincerely
Bhamu

*
*

On Wed, Feb 17, 2016 at 1:45 PM, Dr. K. C. Bhamu > wrote:

Dear Wien2k Prof Blaha and Gavin

I ran my job on remote server using two nodes (64 cores).

Everything went fine till" x lapw2 -p -band -qtl (checked with cat *.error).

I inserted :FER into case.insp

Then I ran x spaghetti and the following error occured:


ERROR IN OPENING UNIT:   7
 FILENAME:
  orthorhombic_1.output1
 STATUS: old  FORM:formatted
OPEN FAILED
0.0u 0.0s 0:00.08 0.0% 0+0k 2008+0io 10pf+0w
--

I checked the DIR but there was no case.output1 file while case.output2 was 
present.

What may be the error? I submitted the job trice: 1. for scf, 2. x lapw1 
-band -p, 3. x lapw2 -band -p -qtl.

Should I have to bind the job in case.output1 file? If yes please suggest 
any command.
***



Yours

truly

Bhamu










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--

  P.Blaha
--
Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-165300 FAX: +43-1-58801-165982
Email: bl...@theochem.tuwien.ac.atWIEN2k: http://www.wien2k.at
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--
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Re: [Wien] error in x spaghetti for parallel computing

2016-02-17 Thread Dr. K. C. Bhamu
One more thing:

When I checked the output file of x lapw2 -band then I got the following
massage:

running lapw2 in parallel mode
calculating QTL's from parallel vectors
ssh: connect to host nid01520 port: Connection refused^M
 lines are repeatitativelly written here for around 50times for this
node
ssh: connect to host nid01521 port: Connection refused^M
 lines are repeatitativelly written here for around 50 times for this
node
LAPW2 END
490.570u 24.737s 11.05.91 77.3% 0+0k 79259539+1284375io 8pf+0w

Sincerely
Bhamu



On Wed, Feb 17, 2016 at 1:45 PM, Dr. K. C. Bhamu 
wrote:

> Dear Wien2k Prof Blaha and Gavin
>
> I ran my job on remote server using two nodes (64 cores).
>
> Everything went fine till" x lapw2 -p -band -qtl (checked with cat *.error).
>
> I inserted :FER into case.insp
>
> Then I ran x spaghetti and the following error occured:
>
>
> ERROR IN OPENING UNIT:   7
> FILENAME:
>  orthorhombic_1.output1
> STATUS: old  FORM:formatted
> OPEN FAILED
> 0.0u 0.0s 0:00.08 0.0% 0+0k 2008+0io 10pf+0w
> --
>
> I checked the DIR but there was no case.output1 file while case.output2 was 
> present.
>
> What may be the error? I submitted the job trice: 1. for scf, 2. x lapw1 
> -band -p, 3. x lapw2 -band -p -qtl.
>
> Should I have to bind the job in case.output1 file? If yes please suggest any 
> command.
> ***
>
>
>
> Yours
>
> truly
>
> Bhamu
>
>
>
>
>
>
>
>
___
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[Wien] error in x spaghetti for parallel computing

2016-02-17 Thread Dr. K. C. Bhamu
Dear Wien2k Prof Blaha and Gavin

I ran my job on remote server using two nodes (64 cores).

Everything went fine till" x lapw2 -p -band -qtl (checked with cat *.error).

I inserted :FER into case.insp

Then I ran x spaghetti and the following error occured:


ERROR IN OPENING UNIT:   7
FILENAME:
 orthorhombic_1.output1
STATUS: old  FORM:formatted
OPEN FAILED
0.0u 0.0s 0:00.08 0.0% 0+0k 2008+0io 10pf+0w
--

I checked the DIR but there was no case.output1 file while
case.output2 was present.

What may be the error? I submitted the job trice: 1. for scf, 2. x
lapw1 -band -p, 3. x lapw2 -band -p -qtl.

Should I have to bind the job in case.output1 file? If yes please
suggest any command.
***



Yours

truly

Bhamu
___
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