[Pw_forum] QE and mpich2, Linux

ac.rain at inbox.com ac.rain at inbox.com
Wed Dec 15 06:55:52 CET 2010


I am not using $TESTDIR, I am not using $name , I am not using < or >,  I am not using -inp, I am not using pw.x directly but the script may be calling it. I have used some of these when trying to get it working but no luck yet so simplifying as much as possible to get something working at least.

I do not understand your PARA_ lines in the below message, is it related to the two PARA lines in the script? or are you requesting that I modify the script elsewhere and approach this another way?

How to run one of the test programs with mpich2 ? I don't mind which test it is.. but very frustrating staring at code and documentation all day without any progress just brick walls and errors...

regards,

Nick

> -----Original Message-----
> From: giannozz at democritos.it
> Sent: Tue, 14 Dec 2010 11:30:45 +0100
> To: pw_forum at pwscf.org
> Subject: Re: [Pw_forum] QE and mpich2, Linux
> 
> Gabriele Sclauzero wrote:
> 
>> This is not correct! Please retry with
>> PARA_POSTFIX="-inp"
> 
> no, this is not going to work. The correct way is to replace the "<"
> in the two lines
> $PARA_PREFIX $ESPRESSO_ROOT/bin/pw.x $PARA_POSTFIX < $TESTDIR/$name.in \
>                                                     > $TESTDIR/$name.out
> with "-inp"
> 
> P.
> --
> Paolo Giannozzi, Democritos and University of Udine, Italy
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://www.democritos.it/mailman/listinfo/pw_forum

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