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<div>Dear Wang, Di:
<BR>
It seems it is caused by the breakdown of certain computer node, not related with the QE code. How many atoms and what are the atomic types in your system? Your input file can tell us a lot of things. And how many cpus did you use? If it is due to the un-stability of the computer, I will inform the administrators of it.
<BR>
<BR>
PS: Maybe it is better to think and test for enough times before submitting our problems on to the forum. And it is better to accompany a submitted problem with as much details as possible.
<BR>
<BR>
Best Wishes!
<BR>
<BR>
Yours Sincerely
<BR>
L. F. Huang
<BR>
<BR>
</FONT><FONT color=#444444>> From: Wang Di
<BR>
</FONT><FONT color=#444444>> Subject: [Pw_forum] error in the Raman calculation
<BR>
</FONT><FONT color=#444444>> To: <A href=mailto:pw_forum@pwscf.org>pw_forum@pwscf.org</A>
<BR>
</FONT><FONT color=#444444>> Message-ID:
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</FONT><FONT color=#444444>>
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</FONT><FONT color=#444444>> Content-Type: text/plain; charset="iso-8859-1"
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</FONT><FONT color=#444444>>
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</FONT><FONT color=#444444>> Hello all:
<BR>
</FONT><FONT color=#444444>> i wish to calculate the Raman spectra of the crystal with espresso 4.1.1
<BR>
</FONT><FONT color=#444444>> package. However, the calculation process was terminated in self-consistent
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</FONT><FONT color=#444444>> calculation of representations. The error information was that:
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</FONT><FONT color=#444444>>
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</FONT><FONT color=#444444>> *Self-consistent Calculation
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</FONT><FONT color=#444444>> cu003:1792: dapl_post_req resource ERR: dtos pending = 432, max_dtos 432,
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</FONT><FONT color=#444444>> max_cb 433 hd 99 tl 100
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</FONT><FONT color=#444444>> cu003:1788: dapl_post_req resource ERR: dtos pending = 432, max_dtos 432,
<BR>
</FONT><FONT color=#444444>> max_cb 433 hd 228 tl 229
<BR>
</FONT><FONT color=#444444>> cu003:1791: cu003:1794: dapl_post_req resource ERR: dtos pending = 432,
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</FONT><FONT color=#444444>> max_dtos 432, max_cb 433 hd 228 tl 229
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</FONT><FONT color=#444444>> dapl_post_req resource ERR: dtos pending = 432, max_dtos 432, max_cb 433 hd
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</FONT><FONT color=#444444>> 99 tl 100
<BR>
</FONT><FONT color=#444444>> rank 4 in job 1 cu004-ib_57947 caused collective abort of all ranks
<BR>
</FONT><FONT color=#444444>> exit status of rank 4: killed by signal 9 *
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</FONT><FONT color=#444444>>
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</FONT><FONT color=#444444>> I have no idea to do with the case! Can you explain the reason causing the
<BR>
</FONT><FONT color=#444444>> error and give some advises for the solution, any help is greatly
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</FONT><FONT color=#444444>> appreciated.
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</FONT><FONT color=#444444>>
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</FONT><FONT color=#444444>> Best regards
<BR>
</FONT><FONT color=#444444>> Wang
<BR>
</FONT><FONT color=#444444>>
<BR>
</FONT><FONT color=#444444>>
<BR>
</FONT><FONT color=#444444>> -----------------------------------------------------------------
<BR>
</FONT><FONT color=#444444>> *Wang Di**
<BR>
</FONT><FONT color=#444444>> The Crystal Lab,*
<BR>
</FONT><FONT color=#444444>> *AnHui Institute of Optics and Fine Mechanics, ***
<BR>
</FONT><FONT color=#444444>> *Chinese Academy of Sciences,**
<BR>
</FONT><FONT color=#444444>> No350. , Shushanhu Road, Hefei, 230031, China**,
<BR>
</FONT><FONT color=#444444>> E-mail: <A href=mailto:WangDiean@gmail.com>WangDiean@gmail.com</A>** ,*
<BR>
</FONT><FONT color=#444444>> -----------------------------------------------------------------
<BR>
<BR>
<BR>
<BR>
------
<BR>
======================================================================
<BR>
L.F.Huang(黄良锋) DFT and phonon physics
<BR>
======================================================================
<BR>
Add: Research Laboratory for Computational Materials Sciences,
<BR>
Instutue of Solid State Physics,the Chinese Academy of Sciences,
<BR>
P.O.Box 1129, Hefei 230031, P.R.China
<BR>
Tel: 86-551-5591464-326(office)
<BR>
Fax: 86-551-5591434
<BR>
Our group: <A href=http://theory.issp.ac.cn target=_blank>http://theory.issp.ac.cn</A>
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======================================================================
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