[Wien] w2web
Torsten Andersen
thor at physik.uni-kl.de
Mon Jan 31 10:30:22 CET 2005
Dear Khuong,
the dayfile you attached is fine, and I think I can conclude that there
is no problem with your libraries or the compilation of lapw2. The
problem must be related to w2web then, and I am sorry that I am not able
to help you with this (I do not use w2web), but maybe the author is
listening and can answer?
A wild guess, concluded from your description, is that w2web is not
properly changing directory for your properties calculation.
Best regards,
Torsten Andersen.
Ong Phuong Khuong wrote:
> Dear Dr. Torsten Andersen,
>
> Many thanks for your reply.
>
> Torsten Andersen wrote:
>
>> Hello,
>>
>> it can be one of several things. May I suggest:
>>
>> 1) Does TIC.vector exist in "current directory" (.)?
>
>
> *Yes, it does.*
>
>> 2) If so, do you have read permission?
>
>
> *Yes, we do.*
>
>> 3) If so, you might want to try to update your libraries (libio.a or
>> libio.so)... and/or try a lower optimization level, static linking, etc.
>
>
> We build structure TiC from the beginning: StructGen and TiC.vector is
> created automatically, I think. May you explain more detail on this? Why
> should I update this? Suppose that I run other compound, eg., Ag. After
> I finish running SCF. And now I run tasks. No tasks can run because
> this error: happened at lapw2
>
>
> > Where did it happen? lapw2? Could we see your dayfile?
>
> It happened at lapw2
>
> Here is the dayfile
>
> Calculating TIC in /Home04/mic/cc0406/TIC
> on einstein with PID 19668451
>
> start (Mon Jan 31 16:14:49 SIN 2005) with lapw0 (20/20 to go)
>
>> lapw0 (16:14:49) 17.4u 0.1s 0:17 99% 0+0k 15+1io 3pf+0w
>> lapw1 (16:15:07) 6.3u 0.8s 0:07 99% 0+0k 1+4io 0pf+0w
>> lapw2 (16:15:15) 11.7u 0.3s 0:12 99% 0+0k 0+5io 0pf+0w
>> lcore (16:15:27) 0.1u 0.0s 0:00 62% 0+0k 11+0io 0pf+0w
>> mixer (16:15:27) ispin set to 1
>
> 0.7u 0.1s 0:00 93% 0+0k 6+2io 0pf+0w
> :ENERGY convergence: 0 0 .0000635000000000
> :CHARGE convergence: 0 0.0001 .0014186
>
> cycle 2 (Mon Jan 31 16:15:29 SIN 2005)
>
> cycle 2 (19/19 to go)
>
>> lapw0 (16:15:29) 18.0u 0.1s 0:18 96% 0+0k 0+1io 0pf+0w
>> lapw1 -it (16:15:48) 5.7u 0.8s 0:06 98% 0+0k 5+0io 5pf+0w
>> lapw2 (16:15:55) 11.8u 0.3s 0:12 99% 0+0k 1+1io 0pf+0w
>> lcore (16:16:07) 0.1u 0.0s 0:00 100% 0+0k 0+0io 0pf+0w
>> mixer (16:16:08) ispin set to 1
>
> 0.8u 0.1s 0:01 98% 0+0k 2+0io 0pf+0w
> :ENERGY convergence: 0 0 .0000300000000000
> :CHARGE convergence: 0 0.0001 .0012977
>
> cycle 3 (Mon Jan 31 16:16:09 SIN 2005)
>
> cycle 3 (18/18 to go)
>
>> lapw0 (16:16:09) 17.4u 0.1s 0:17 99% 0+0k 0+2io 0pf+0w
>> lapw1 -it (16:16:27) 5.7u 0.9s 0:06 98% 0+0k 1+0io 0pf+0w
>> lapw2 (16:16:34) 11.7u 0.3s 0:12 99% 0+0k 0+1io 0pf+0w
>> lcore (16:16:46) 0.1u 0.0s 0:00 100% 0+0k 0+0io 0pf+0w
>> mixer (16:16:47) ispin set to 1
>
> 0.8u 0.1s 0:01 98% 0+0k 1+1io 0pf+0w
> :ENERGY convergence: 0 0 .0000115000000000
> :CHARGE convergence: 0 0.0001 .0003338
>
> cycle 4 (Mon Jan 31 16:16:48 SIN 2005)
>
> cycle 4 (17/17 to go)
>
>> lapw0 (16:16:48) 17.3u 0.1s 0:17 99% 0+0k 0+1io 0pf+0w
>> lapw1 -it (16:17:06) 5.7u 0.8s 0:06 99% 0+0k 1+2io 0pf+0w
>> lapw2 (16:17:13) 11.6u 0.3s 0:12 99% 0+0k 0+1io 0pf+0w
>> lcore (16:17:25) 0.1u 0.0s 0:00 100% 0+0k 0+1io 0pf+0w
>> mixer (16:17:26) ispin set to 1
>
> 0.9u 0.1s 0:01 98% 0+0k 3+0io 0pf+0w
> :ENERGY convergence: 0 0 .0000125000000000
> :CHARGE convergence: 0 0.0001 .0000474
>
> cycle 5 (Mon Jan 31 16:17:27 SIN 2005)
>
> cycle 5 (16/16 to go)
>
>> lapw0 (16:17:27) 17.6u 0.1s 0:17 98% 0+0k 0+1io 0pf+0w
>> lapw1 -it (16:17:45) 5.7u 0.9s 0:06 99% 0+0k 1+2io 0pf+0w
>> lapw2 (16:17:52) 11.6u 0.3s 0:12 99% 0+0k 0+2io 0pf+0w
>> lcore (16:18:05) 0.1u 0.0s 0:00 107% 0+0k 0+0io 0pf+0w
>> mixer (16:18:05) ispin set to 1
>
> 0.9u 0.1s 0:01 99% 0+0k 1+1io 0pf+0w
> :ENERGY convergence: 0 0 .0000035000000000
> :CHARGE convergence: 0 0.0001 .0000197
>
> cycle 6 (Mon Jan 31 16:18:07 SIN 2005)
>
> cycle 6 (15/15 to go)
>
>> lapw0 (16:18:07) 17.5u 0.1s 0:17 99% 0+0k 0+1io 0pf+0w
>> lapw1 -it (16:18:25) 6.1u 0.8s 0:07 98% 0+0k 0+0io 0pf+0w
>> lapw2 (16:18:32) 11.6u 0.3s 0:12 99% 0+0k 0+0io 0pf+0w
>> lcore (16:18:44) 0.1u 0.0s 0:00 100% 0+0k 0+0io 0pf+0w
>> mixer (16:18:45) ispin set to 1
>
> 1.0u 0.1s 0:01 99% 0+0k 2+0io 0pf+0w
> :ENERGY convergence: 0 0 .0000030000000000
> :CHARGE convergence: 0 0.0001 .0000285
>
> cycle 7 (Mon Jan 31 16:18:46 SIN 2005)
>
> cycle 7 (14/14 to go)
>
>> lapw0 (16:18:47) 17.3u 0.1s 0:17 99% 0+0k 0+2io 0pf+0w
>> lapw1 -it (16:19:04) 5.7u 0.9s 0:06 99% 0+0k 0+0io 0pf+0w
>> lapw2 (16:19:11) 11.6u 0.3s 0:12 99% 0+0k 0+0io 0pf+0w
>> lcore (16:19:23) 0.1u 0.0s 0:00 100% 0+0k 0+0io 0pf+0w
>> mixer (16:19:24) ispin set to 1
>
> 1.0u 0.1s 0:01 98% 0+0k 1+0io 0pf+0w
> :ENERGY convergence: 0 0 .0000010000000000
> :CHARGE convergence: 0 0.0001 .0000403
>
> cycle 8 (Mon Jan 31 16:19:26 SIN 2005)
>
> cycle 8 (13/13 to go)
>
>> lapw0 (16:19:26) 17.4u 0.1s 0:17 99% 0+0k 0+2io 0pf+0w
>> lapw1 -it (16:19:44) 5.7u 0.8s 0:06 99% 0+0k 0+1io 0pf+0w
>> lapw2 (16:19:50) 11.7u 0.3s 0:12 99% 0+0k 0+0io 0pf+0w
>> lcore (16:20:03) 0.1u 0.0s 0:00 107% 0+0k 0+0io 0pf+0w
>> mixer (16:20:03) ispin set to 1
>
> 1.1u 0.1s 0:01 98% 0+0k 1+1io 0pf+0w
> :ENERGY convergence: 0 0 .0000060000000000
> :CHARGE convergence: 0 0.0001 .0002291
>
> cycle 9 (Mon Jan 31 16:20:05 SIN 2005)
>
> cycle 9 (12/12 to go)
>
>> lapw0 (16:20:05) 17.3u 0.1s 0:17 99% 0+0k 0+0io 0pf+0w
>> lapw1 -it (16:20:23) 5.7u 0.8s 0:06 99% 0+0k 0+2io 0pf+0w
>> lapw2 (16:20:30) 12.3u 0.3s 0:12 99% 0+0k 0+1io 0pf+0w
>> lcore (16:20:43) 0.1u 0.0s 0:00 100% 0+0k 0+1io 0pf+0w
>> mixer (16:20:43) ispin set to 1
>
> 1.1u 0.1s 0:01 99% 0+0k 1+0io 0pf+0w
> :ENERGY convergence: 0 0 .0000025000000000
> :CHARGE convergence: 0 0.0001 .0002943
>
> cycle 10 (Mon Jan 31 16:20:45 SIN 2005)
>
> cycle 10 (11/11 to go)
>
>> lapw0 (16:20:45) 17.4u 0.1s 0:17 99% 0+0k 0+2io 0pf+0w
>> lapw1 -it (16:21:03) 5.9u 0.9s 0:06 98% 0+0k 0+0io 0pf+0w
>> lapw2 (16:21:10) 11.7u 0.3s 0:12 99% 0+0k 0+0io 0pf+0w
>> lcore (16:21:22) 0.1u 0.0s 0:00 100% 0+0k 0+0io 0pf+0w
>> mixer (16:21:23) ispin set to 1
>
> 1.2u 0.1s 0:01 99% 0+0k 1+1io 0pf+0w
> :ENERGY convergence: 0 0 .0000020000000000
> :CHARGE convergence: 1 0.0001 -.0000516
>
> cycle 11 (Mon Jan 31 16:21:25 SIN 2005)
>
> cycle 11 (0/10 to go)
>
>
>> stop
>
>
>
> Regards,
> Khuong
>
>>
>>
>> Best regards,
>> Torsten Andersen.
>>
>> Ong Phuong Khuong wrote:
>>
>>> Hi,.
>>>
>>> I met a problem and I do not know how to solve it. Can somebody help
>>> me on this?
>>>
>>> lib-4001 : UNRECOVERABLE library error
>>>
>>> Encountered during a sequential unformatted READ from unit 10
>>> Fortran unit 10 is connected to a sequential unformatted file:
>>> "./TIC.vector"
>>> IOT Trap
>>> Abort (core dumped)
>>> 0.0u 0.1s 0:00 27% 0+0k 61+1io 33pf+0w
>>>
>>>
>>> Here is our information :
>>>
>>> OS= Irix
>>> Version 6.5.16m
>>> Number of files allowed : Unlimited
>>> the libraries that we are
>>> using - mkl, essl, blas, lapack, etc.
>>>
>>> Is it related to the compilation of Wien2k directory.
>>>
>>> Regards
>>>
>>> Bai Kewu
>>>
>>> _______________________________________________
>>> Wien mailing list
>>> Wien at zeus.theochem.tuwien.ac.at
>>> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>>>
>>
>
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>
--
Dr. Torsten Andersen TA-web: http://deep.at/myspace/
AG Hübner, Department of Physics, Kaiserslautern University
http://cmt.physik.uni-kl.de http://www.physik.uni-kl.de/
Symposium on Excited-state properties of solids, Mannheim 2005:
See: http://cmt.physik.uni-kl.de/XSM05/
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