[Pw_forum] QE and mpich2, Linux

Gabriele Sclauzero sclauzer at sissa.it
Tue Dec 14 11:19:44 CET 2010

Il giorno 14/dic/2010, alle ore 05.00, ac.rain at inbox.com ha scritto:

> 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"

This is not correct! Please retry with

PARA_PREFIX and PARA_POSTFIX will be automatically placed before and after the executable command name (e.g. /usr/local/espresso-4.2.1/bin/pw.x) and the resulting command line will be called by the script check-pw.j


> 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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§ Gabriele Sclauzero, EPFL SB ITP CSEA
   PH H2 462, Station 3, CH-1015 Lausanne

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