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小木虫论坛-学术科研互动平台 » 计算模拟区 » 第一性原理 » Abinit » 有關聲子eigen value的計算
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mouwat

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[求助] 有關聲子eigen value的計算

我用tnlo_2計算一層平面結構時是OK的  但在改變原子位置使其有點皺摺時就無法計算了  err檔中?K沒有對錯誤的敘述  請問該怎麼辦呢
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1楼 2012-09-22 23:37:47
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souledge

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mouwat: 回帖置顶 2012-09-25 06:59:03
引用回帖:
5楼: Originally posted by mouwat at 2012-09-23 11:04:38
附上log檔
http://www.putlocker.com/file/507AF85E4CF0552D

感謝...

I have checked it, the error info was as:
引用回帖:
p15_14241:  p4_error: interrupt SIGSEGV: 11
rm_l_15_14245: (13.175781) net_send: could not write to fd=5, errno = 32
p1_10669:  p4_error: net_recv read:  probable EOF on socket: 1
p2_10670:  p4_error: net_recv read:  probable EOF on socket: 1
p4_25239:  p4_error: net_recv read:  probable EOF on socket: 1
p6_25241:  p4_error: net_recv read:  probable EOF on socket: 1
p5_25240:  p4_error: net_recv read:  probable EOF on socket: 1
p7_25242:  p4_error: net_recv read:  probable EOF on socket: 1

Therefore, I wanna ask a question, which version of MPI you are using now, MPICH1? Since I can just find p4_error from MPICH1 or P4 but not from modern MPICH2 and OpenMPI. Would you like to take a look at your mpi version by : mpiexec -info ?
Of course, some person reported that p4_error may be caused by network problem among nodes, I am not sure whether you are using cluster or workstation (16 cores Xeon platform could be multi-CPU workstation). But if you were using the later one, it does not make sense to discuss about network problem.
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6楼2012-09-23 13:19:33
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souledge

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★ ★
franch: 金币+2, 专家考核, 谢谢回帖交流 2012-09-24 12:57:28
看楼主的语言习惯是港台的，我还是用英语回复好了。
The error info can be found at the end of xxx.log file if you ran Abinit with command: abinit < xxx.files >& xxx.log, otherwise, it displays in your terminal.
I am not sure which kind of "error" you met, or what means "cannot calculate". By guessing, displacements of ion(s) broke the symmetry, thus the convergence of response function may become more difficult.
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2楼2012-09-23 00:16:06
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mouwat

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???????:
2?: Originally posted by souledge at 2012-09-23 00:16:06
??????????????????????????????????????
The error info can be found at the end of xxx.log file if you ran Abinit with command: abinit < xxx.files >& xxx.log, otherwise, it display ...

???w??????  ?x?x????N??

sorry?????o?????Y??

err files:
mpiexec: Warning: tasks 2,4-15 exited with status 1.

tnlo_2????????岽??r???????????

input files??????
xred        0.33333 0.66667  0.5
               0.66667 0.33333  0.5
to
xred        0.33333 0.66667  0.5026208779
               0.66667 0.33333  0.4973791221
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3楼2012-09-23 00:42:40
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souledge

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???????:
3?: Originally posted by mouwat at 2012-09-23 00:42:40
???w??????  ?x?x????N??

sorry?????o?????Y??

err files:
mpiexec: Warning: tasks 2,4-15 exited with status 1.

tnlo_2????????岽??r???????????

input files??????
xred         ...

Actually, the error info you provided was not really the proper one, since it was just a stop signal from MPI code, instead of that from Abinit.
Why don't you attach your full log or output file here? You can edit your first post and upload the file as accessory.
Further, you may download my tutorial about Abinit from the ??????? broad. That will give you some idea for finding error info from Abinit.
?????????δ???????????????????????MPI??????????????????Abinit???
??????log???????????????????????Σ?????????????????????????
????????????????????????????Abinit??????????????β???Abinit??????????
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4楼2012-09-23 10:11:45
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