[Pw_forum] QE and mpich2, Linux

[ac.rain at inbox.com]

Hi Paolo thanks for your response.

What do you mean exactly by "run interactively"?

at first I tried running from the command line with mpi commands and then we moved to putting the info inside the PARA_PREFIX and PARA_PREFIX inside the actual script called "check-pw.x.j".

to run this i have been doing "./check_pw.x.j" ,which is running interactively but only prints "Checking atom..." then sits there for long time, the machines working at 100% without doing anything.

I tried to add "-inp file" to PARA_PREFIX I just get "unrecognized argument inp" then fail, when I add it to PARA_POSTFIX I don't get error but get the same results as previously with the hung output.

(I have not required input file before? just trying to get a test working with the least amount of complexity possible).

PARA_PREFIX="mpiexec -n 60 -f /home/user/mpiMachinefile.txt -wdir /usr/local/espresso-4.2.1/tests"
PARA_POSTFIX="./check-pw.x.j -inp file"

regards,

Nick

> -----Original Message-----
> From: giannozz at democritos.it
> Sent: Fri, 10 Dec 2010 08:20:45 +0100
> To: pw_forum at pwscf.org
> Subject: Re: [Pw_forum] QE and mpich2, Linux
> 
> Run interactively and look what happens. If nothing
> happens, use option "-inp file" to read from file "file".
> ---
> Paolo Giannozzi, Dept of Chemistry&Physics, Univ. Udine
> via delle Scienze 208, 33100 Udine, Italy
> Phone +39-0432-558216, fax +39-0432-558222
> 
> 
> 
> 
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