Error while running tutoparal  [SOLVED]

Total energy, geometry optimization, DFT+U, spin....

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ckl1202
Posts: 1
Joined: Sun Mar 27, 2016 8:22 am

Error while running tutoparal

Post by ckl1202 » Fri Apr 01, 2016 11:14 am

I'm using ifort 16.0.1 to compile abinit-7.10.5. And I find when I try to test the input file of tutoparal, it will stop at the first iter and just waiting over there. But it can work correctly when I use it to run the input file of tutorial. I used only FC=ifort when I configured. And there was no error message during configuration, making and running. Is there anything more I should do or how can I avoid this problem? Hope to get help. Thank you very much.

temok
Posts: 39
Joined: Tue Jun 08, 2010 1:44 am

Re: Error while running tutoparal  [SOLVED]

Post by temok » Fri Apr 01, 2016 1:51 pm

Besides what one of the developers might reply,
I would **not** try the latest intel compiler. If you see this url
http://dev.abinit.org/status/nightly-builds/abinit-8.0
it seems that the newest **intel** compiler where ABINIT is tested
for production is intel 14.

You can download an older compiler, e.g. intel13 or intel14, from intel's website;
they have free of charge academic licenses.

Cheers,
Temok

Jordan
Posts: 282
Joined: Tue May 07, 2013 9:47 am

Re: Error while running tutoparal

Post by Jordan » Tue Apr 05, 2016 10:49 am

Yes indeed.

Intel 16 is not yet officially supported.
For parallel test, don't forget to use MPI to compile abinit.

Cheers

Jordan

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