WebMO - Computational chemistry on the WWW
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April 7, 2020

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Unregistered guest
Posted on Tuesday, January 15, 2013 - 6:22 am:   

Hi everyone, I have a query relating to the installation of VASP on a server which currently hosts Webmo and was wondering if anybody else has a similar set up?

When we installed Webmo we used the GFORTRAN compiler, Open-MPI and ATLAS numerical library.

Should we install VASP on the same server;

Has anybody had or would know of any issues between the 2?

Can the same libraries be used?

The server itself is powerful enough to manage the 2 programs but we are concerned whether there will be any conflict between the 2. I have looked through the internet for answers but as there is very little information on these programs being used on the same server.

Thanks in advance,

JR Schmidt
Username: Schmidt

Post Number: 324
Registered: 11-2006
Posted on Tuesday, January 15, 2013 - 9:14 am:   

WebMO is merely a set of scripts, and does not need to be compiled, nor does it (directly) use MPI or BLAS, etc. As such, there should be no conflicts with any of these programs.

Note that the "free" version of WebMO can only run comp. chem. programs on the same server on which it is installed. If you wish to use WebMO to run jobs on MANY nodes, check out the Pro and Enterprise versions. The latter versions are also suited for running parallel jobs.

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