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- From: lan haiping <lanhaiping@gmail.com>
- To: forum@abinit.org
- Subject: [abinit-forum] Calculation is aborted for scQP!
- Date: Fri, 1 May 2009 19:05:46 +0800
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Dear Developers:
I carried out a scQP calculation with abinit5.6.4/5.7.3. But the calculation cannot continue after first calculation. I found some messages was given in the log file:
"
rdqps : FFT meshes differ, performing Fourier interpolation
-P-0000
-P-0000 sg_ctrig: BUG -
-P-0000 number of factors ic= 12
-P-0000 exceeds dimensioned mfac= 11
-P-0000
-P-0000
-P-0000 leave_new : decision taken to exit ...
-P-0000 leave_new : synchronization done...
-P-0000 leave_new : exiting...
"
Therefore, would you please tell me how to handle this error ?
Regards,
Hai-Ping
--
Hai-Ping Lan
Department of Electronics ,
Peking University , Bejing, 100871
lanhaiping@gmail.com, hplan@pku.edu.cn
- [abinit-forum] Calculation is aborted for scQP!, lan haiping, 05/01/2009
- Re: [abinit-forum] Calculation is aborted for scQP!, Matteo Giantomassi, 05/01/2009
- Re: [abinit-forum] Calculation is aborted for scQP!, lan haiping, 05/01/2009
- Re: [abinit-forum] Calculation is aborted for scQP!, Matteo Giantomassi, 05/01/2009
- Re: [abinit-forum] Calculation is aborted for scQP!, lan haiping, 05/01/2009
- Re: [abinit-forum] Calculation is aborted for scQP!, Matteo Giantomassi, 05/01/2009
- Re: [abinit-forum] Calculation is aborted for scQP!, lan haiping, 05/01/2009
- Re: [abinit-forum] Calculation is aborted for scQP!, Matteo Giantomassi, 05/01/2009
- Re: [abinit-forum] Calculation is aborted for scQP!, lan haiping, 05/01/2009
- Re: [abinit-forum] Calculation is aborted for scQP!, Matteo Giantomassi, 05/01/2009
- Re: [abinit-forum] Calculation is aborted for scQP!, lan haiping, 05/01/2009
- Re: [abinit-forum] Calculation is aborted for scQP!, Matteo Giantomassi, 05/01/2009
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