[mpich-discuss] mpich - siesta - cluster

Tue Oct 15 18:14:54 CDT 2013

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.

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.

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
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