[mpich-discuss] mpich - siesta - cluster

[Pavan Balaji]

The safest way is to build mpich on an shared file system (e.g., NFS) that is mounted on all nodes.  If that's not available, then just install mpich on all nodes.

You can be a little more brave to actually figure out the library dependencies like Jeff suggested, if you really care to.  But installing on all machines will be safe either way.

  -- Pavan

On Oct 15, 2013, at 6:14 PM, Julio Henrique wrote:

> Yes Jeff, I read your previous email.
> I was just taking the doubt.
> So, I  just build everything there, i.e., libraries and siesta on all nodes and server.
> Is it?
> If not, forgive me, my english is not good.
> Thanks Jeff.
> Julio.
> 
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> From: jeff.science at gmail.com
> Date: Tue, 15 Oct 2013 17:31:15 -0500
> To: discuss at mpich.org
> Subject: Re: [mpich-discuss] mpich - siesta - cluster
> 
> Did you read my previous email?
> 
> Jeff
> 
> On Tue, Oct 15, 2013 at 5:16 PM, Julio Henrique <juliohenrique at msn.com> wrote:
> I have mpich-3.0.4 compiled with
> # ./configure --prefix=/opt/mpich --enable-shared --enable-f95 --enable-threads=runtime --enable-romio --enable-nemesis-shm-collectives --with-pvfs2=/opt/pvfs2 --with-file-system="pvfs2+nfs" --with-thread-package=posix --with-device=ch3:nemesis --with-java=/etc/java-7-openjdk
> # make
> # make install
> 
> and PVFS2 on Whezzy 7.2 and works fine.
> 01 server and 08 nodes.
> 
> However, I want to install Siesta and my doubt is: I need to install Siesta on all nodes AND on server or just on server?
> 
> Thank's.
> Julio.
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> 
> From: jeff.science at gmail.com
> Date: Tue, 15 Oct 2013 15:55:44 -0500
> To: discuss at mpich.org
> Subject: Re: [mpich-discuss] mpich - siesta - cluster
> 
> 
> If you use a static binary, you don't need the libraries to live on the compute nodes.  If you use a binary with dynamic linkage (run 'ldd binary.x' to see what the dependencies are), then you need those paths to resolve everywhere the binary launches.
> 
> If you have a shared filesystem, just build everything there.
> 
> Jeff
> 
> On Tue, Oct 15, 2013 at 3:52 PM, Julio Henrique <juliohenrique at msn.com> wrote:
> Does anyone know if I need to install the Siesta (ab initio molecular dynamics simulations ) only on the server or on all nodes in a cluster?
> Or just a libraries (mpich, blacs, scalapck, etc) on nodes and the libraries and Siesta on the server?
> Julio.
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> -- 
> Jeff Hammond
> jeff.science at gmail.com
> 
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> 
> -- 
> Jeff Hammond
> jeff.science at gmail.com 
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--
Pavan Balaji
http://www.mcs.anl.gov/~balaji