[Wien] w2web
Ong Phuong Khuong
ongpk at ihpc.a-star.edu.sg
Mon Jan 31 08:52:04 CET 2005
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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