abinit 6.02 stopped at the first iteration

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hhwj340
Posts: 20
Joined: Mon Jan 04, 2010 10:42 am

abinit 6.02 stopped at the first iteration

Post by hhwj340 » Sun Mar 21, 2010 3:51 pm

Hi!
when i tried to use the new abinit 6.02 to do some test calculation, i found that it stopped at the first iteration.
i don't know why. :?: :?: :cry: :cry:
my configure option is : --enable-mpi="yes" --enable-mpi-io="yes" --with-mpi-prefix="/opt/openmpi";
The mpi i have used is openmpi which is installed in /opt.
i also have the version 5.8.4p which didn't have that problem.
thinks!!
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jzwanzig
Posts: 504
Joined: Mon Aug 17, 2009 9:25 am

Re: abinit 6.02 stopped at the first iteration

Post by jzwanzig » Fri Mar 26, 2010 1:06 am

You have to tell us what calculation you are running that stopped. Have you run the test suite that comes with abinit? did that work?
Josef W. Zwanziger
Professor, Department of Chemistry
Canada Research Chair in NMR Studies of Materials
Dalhousie University
Halifax, NS B3H 4J3 Canada
jzwanzig@gmail.com
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hhwj340
Posts: 20
Joined: Mon Jan 04, 2010 10:42 am

Re: abinit 6.02 stopped at the first iteration

Post by hhwj340 » Mon Mar 29, 2010 3:32 pm

think you for your replay!

the example I had tried is :si.in, si.files and si.pspnc.
It stopped at the first iteration and i had to kill it.
Attachments
si.in
(718 Bytes) Downloaded 351 times
Screenshot.png
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