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- From: "john Bob" <bobjohn.lzu@gmail.com>
- To: forum@abinit.org
- Subject: Problem occur while ecut increasing .
- Date: Wed, 19 Dec 2007 14:21:28 +0800
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Dear Abinitors:
The input file is attached. When using ecut = 60 and 40 , the program terminate at dataset 3. (response function calculation). After changing ecut to 10, the whole process are successful. MPI with 8 nodes are used. It seems one node terminated with no further information, no segment fault. This problem all occur after printing out "-open ddk wf file :v2o5o_DS2_1WF87" ,but during different scf step. DS2 wfs are huge about 1.2 G. Please help.
Best regards
Zhou
system info:
os: Linux login 2.4.21-32.EL #1 SMP Fri Apr 15 21:02:58 EDT 2005 x86_64 x86_64 x86_64 GNU/Linux
abinit: 5.4.4 ( 5.3.3 also tried)
compiler: intel fortran 9.1
mpi: mpich-1.2.7
configured with no other features except MPI.
Attachment:
v2o5.in
Description: Binary data
Attachment:
v2o5log.zip
Description: Zip archive
- Problem occur while ecut increasing ., john Bob, 12/19/2007
- Re: [abinit-forum] Problem occur while ecut increasing ., Anglade Pierre-Matthieu, 12/19/2007
- Re: [abinit-forum] Problem occur while ecut increasing ., john Bob, 12/19/2007
- Re: [abinit-forum] Problem occur while ecut increasing ., Anglade Pierre-Matthieu, 12/19/2007
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