[Pw_forum] Pw_forum Digest, Vol 32, Issue 57

[Nay Lin]

> Message: 2
> Date: Fri, 26 Feb 2010 21:41:13 +0800
> From: Nay Lin <naylin.nll at gmail.com>
> Subject: [Pw_forum] Parallel on QuadCore
> To: pw_forum at pwscf.org
> Message-ID:
>        <619d39dc1002260541s4e804361m44751745a701bae1 at mail.gmail.com>
> Content-Type: text/plain; charset="iso-8859-1"
>
> Dear users,
>
> i compiled mpi version pwscf 4.1.2 on quad core. with ubuntu linux
> ./pw.x shows "Parallel Version (MPI)".
> In make.sys, DFLAGS contains -D__MPI and -D_PARA.
> I have mpirun installed.
>
> may i know what is the complete  mpirun command to initiate the
> calculation.
> when i run
> mpirun -np 2 ../../bin/pw.x<si.scf.in>si.scf.out
> i get error such as
> It seems that [at least] one of the processes that was started with
>  mpirun did not invoke MPI_INIT before quitting (it is possible that
>  more than one process did not invoke MPI_INIT -- mpirun was only
>  notified of the first one, which was on node n0).
>
>
> Thanks.
>
> Nay Lin
> -------------- next part --------------
> An HTML attachment was scrubbed...
> URL:
> http://www.democritos.it/pipermail/pw_forum/attachments/20100226/3da372a9/attachment-0001.htm
>
> ------------------------------
>
> Message: 3
> Date: Fri, 26 Feb 2010 15:24:22 +0100
> From: Ngoc Linh Nguyen <nnlinh at sissa.it>
> Subject: Re: [Pw_forum] Parallel on QuadCore
> To: PWSCF Forum <pw_forum at pwscf.org>
> Message-ID: <4B87D996.6040405 at sissa.it>
> Content-Type: text/plain; charset=ISO-8859-1; format=flowed
>
> Nay Lin wrote:
> >   mpirun did not invoke MPI_INIT before quitting (it is possible that
> >   more than one process did not invoke MPI_INIT -- mpirun was only
> >   notified of the first one, which was on node n0).
> that's all for the notice from output error? I guess the output error
> has more detail.
>
> Have you ever tried to run some typical example of parallel running on
> your computer before running QE?
> Maybe the problem come from kind of package mpi that you are using.!!!
>
> Linh
>
>
> >
> > It seems that [at least] one of the processes that was started with
> >
> > Thanks.
> >
> > Nay Lin
> > ------------------------------------------------------------------------
> >
> > _______________________________________________
> > Pw_forum mailing list
> > Pw_forum at pwscf.org
> > http://www.democritos.it/mailman/listinfo/pw_forum
> >
>
>
>
> ------------------------------
>
> Message: 4
> Date: Fri, 26 Feb 2010 15:57:35 +0100
> From: Carlo Nervi <carlo.nervi at unito.it>
> Subject: Re: [Pw_forum] Parallel on QuadCore
> To: PWSCF Forum <pw_forum at pwscf.org>
> Message-ID: <4B87E15F.8010109 at unito.it>
> Content-Type: text/plain; charset=ISO-8859-1; format=flowed
>
> Nay Lin ha scritto:
> > Dear users,
> >
> > i compiled mpi version pwscf 4.1.2 on quad core. with ubuntu linux
> > ./pw.x shows "Parallel Version (MPI)".
> > In make.sys, DFLAGS contains -D__MPI and -D_PARA.
> > I have mpirun installed.
> >
> > may i know what is the complete  mpirun command to initiate the
> > calculation.
> > when i run
> > mpirun -np 2 ../../bin/pw.x<si.scf.in <http://si.scf.in>>si.scf.out
> > i get error such as
> > It seems that [at least] one of the processes that was started with
> >   mpirun did not invoke MPI_INIT before quitting (it is possible that
> >   more than one process did not invoke MPI_INIT -- mpirun was only
> >   notified of the first one, which was on node n0).
> >
>
> This looks like a problem in running/compiling with mpi (open mpi?). Try
> first to compile a simple mpi program and run it with the mpirun
> command. Does it works?
>        Carlo
>
> --
> ------------------------------------------------------
> Carlo Nervi carlo.nervi at unito.it Tel:+39 011 6707507/8
> Fax: +39 011 6707855   -   Dipartimento di Chimica IFM
> via P. Giuria 7, 10125 Torino, Italy
> http://lem.ch.unito.it/
>
>
> ------------------------------
>
Dear Linh and Carlo,
The problem is solved. The mpi was the one automatically configured by
configure script for parallel version.
After compilation, i cannot run it with openmpi (the errors come out). But
it work perfectly fine with mpich on my quad core in parallel mode with all
4 cores.

Thanks for the help.
Lin
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20100227/0d4cf1cc/attachment.html>