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abinit 6.02 stopped at the first iteration

Posted: Sun Mar 21, 2010 3:51 pm
by hhwj340
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!!

Re: abinit 6.02 stopped at the first iteration

Posted: Fri Mar 26, 2010 1:06 am
by jzwanzig
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?

Re: abinit 6.02 stopped at the first iteration

Posted: Mon Mar 29, 2010 3:32 pm
by hhwj340
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.