does optdriver 5 work in parallel?

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jzwanzig
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does optdriver 5 work in parallel?

Post by jzwanzig » Sat Jul 14, 2012 10:23 pm

Hi,

running the response function tutorial tnlo_2, I have success on a single processor but if I run say "mpirun -np 2 abinit ..." it crashes at dataset 5 with an MPI broadcast error; dataset 5 is the optdriver 5 routine. Is the failure in parallel to be expected for optdriver 5 or is this a bug?

thanks,
Joe
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

fgrosse
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Joined: Mon Nov 08, 2010 8:39 am

Re: does optdriver 5 work in parallel?

Post by fgrosse » Mon Oct 15, 2012 1:30 pm

Hi,

unfortunately, I have the same problem. Not only the tutorial example but also various other structures/k-point meshes/number of processors aso crash with optdriver 5, but only in parallel. Serial version runs just fine.
Is there a solution available or a workaround ?

Thanks,

Frank

--
Dr. Frank Grosse
Paul-Drude-Institut
für Festkörperelektronik
Hausvogteiplatz 5-7
D-10117 Berlin

email: frank.grosse@pdi-berlin.de

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jzwanzig
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Re: does optdriver 5 work in parallel?

Post by jzwanzig » Mon Oct 15, 2012 2:55 pm

Hi, I just tried tnlo_2 with my developer's branch (version 7.0.2) and this issue seems to be fixed. Which version of the code are you running?
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

fgrosse
Posts: 2
Joined: Mon Nov 08, 2010 8:39 am

Re: does optdriver 5 work in parallel?

Post by fgrosse » Mon Oct 15, 2012 3:20 pm

Hi,
sorry, I should have added this right away. I am running 6.12.3.
Thanks for the fast response and the test.
If it is fixed in 7.0.2 then I have just to wait a bit until the official release.
Is it possible to access the 7.0.2 version for testing already?

Kind regards,

Frank

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