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Re: [ESPResSo] ESPResSo Digest, Vol 39, Issue 2


From: Mikheil Azatov
Subject: Re: [ESPResSo] ESPResSo Digest, Vol 39, Issue 2
Date: Sat, 7 Aug 2010 16:44:10 -0400

Thanks Aang and Olaf,

I uninstalled openmpi and reinstalled lam 7.1.4. I still have the problem and it looks like you were right Aang. The error looks like this: 

....
../ghosts.h:76:17: error: mpi.h: No such file or directory
In file included from ../cells.h:54,
                 from ../thermostat.h:24,
                 from ../energy.h:17,
                 from ../initialize.c:24:
../ghosts.h:138: error: expected specifier-qualifier-list before ‘MPI_Comm’
In file included from ../pressure.h:90,
                 from ../thermostat.h:25,
                 from ../energy.h:17,
                 from ../initialize.c:24:
...

I attached config.log's of both Espresso(from the obj-Core-pc-linux directory) and Lam installation. I was not sure which of the config.log's from the lam directory to send because there were a lot of them in different folders. So I sent you the one that was in the top directory( i.e. directly in lam ). Let me know if I sent the right things :)


Hope you can figure out the error, 
It's my first week reading about parallel computing so I'm very new to this :)
Thanks, 
Mikheil
University of Maryland



On Sat, Aug 7, 2010 at 12:45 AM, Ahmad A. J. Agung <address@hidden> wrote:
Hi,

I might be wrong, but in my experience, it could happen if your MPI library (ie. LAM or OpenMPI library) is not in your environment path. If you still face the same problem, you may send me the config.log of your MPI and Espresso installation. I will try to help.

Regards,
Aang


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Sent: Thu, August 5, 2010 6:02:02 PM
Subject: ESPResSo Digest, Vol 39, Issue 2

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Today's Topics:

  1. parallel computing (Mikheil Azatov)


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Message: 1
Date: Wed, 4 Aug 2010 11:16:29 -0400
From: Mikheil Azatov <address@hidden>
Subject: [ESPResSo] parallel computing
To: address@hidden
Message-ID:
    <address@hidden>
Content-Type: text/plain; charset="iso-8859-1"

Hi,

I'm very new to parallel computing and know very little about it so far. I
installed lam 7.1.4 on my computer and tried building espresso
(--with-mpi=MPI option) but i got a lot of errors like this:

maggs.c:(.text+0x190be): undefined reference to `ompi_mpi_comm_world'
maggs.c:(.text+0x190e4): undefined reference to `MPI_Irecv'
maggs.c:(.text+0x19109): undefined reference to `ompi_mpi_comm_world'
maggs.c:(.text+0x1953c): undefined reference to `ompi_mpi_comm_world'
maggs.c:(.text+0x19542): undefined reference to `ompi_mpi_op_sum'
maggs.c:(.text+0x19547): undefined reference to `ompi_mpi_double'
maggs.c:(.text+0x19561): undefined reference to `MPI_Allreduce'
maggs.c:(.text+0x198e8): undefined reference to `ompi_mpi_comm_world'
maggs.c:(.text+0x198ee): undefined reference to `ompi_mpi_op_max'
maggs.c:(.text+0x198f3): undefined reference to `ompi_mpi_double'
maggs.c:(.text+0x1990d): undefined reference to `MPI_Allreduce'
maggs.c:(.text+0x19ca7): undefined reference to `ompi_mpi_comm_world'
maggs.c:(.text+0x19cad): undefined reference to `ompi_mpi_op_sum'
maggs.c:(.text+0x19cb2): undefined reference to `ompi_mpi_double'
maggs.c:(.text+0x19cbc): undefined reference to `MPI_Allreduce'
maggs.o: In function `Maggs_init':
maggs.c:(.text+0x1a3c7): undefined reference to `ompi_mpi_comm_world'
maggs.c:(.text+0x1a3cd): undefined reference to `ompi_mpi_op_sum'
maggs.c:(.text+0x1a3d2): undefined reference to `ompi_mpi_double'
maggs.c:(.text+0x1a3dc): undefined reference to `MPI_Reduce'
maggs.o: In function `prepare_surface_planes':
maggs.c:(.text+0x4915): undefined reference to `MPI_Type_commit'

I also tried installing openmpi but got the same...
I was wondering if anyone could help me to make parallel computing work, or
maybe show me the manual of how to do this. Any help would be really
appreciated because I don't even know where to start.
I was thinking first to make both CPU's on my computer work together and
then try running on several computers.

Thanks a lot,
Mikheil Azatov
University of Maryland
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