WebMO - Computational chemistry on the WWW
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C Spencer
Unregistered guest
Posted on Thursday, March 08, 2007 - 10:26 pm:   

I will be purchasing a single PC Linux system in the near future and would like to run WebMO Pro (with GAMESS, MOPAC, and TINKER). Do you have suggestions as to PC hardware specifications and a current Linux distribution?
JR Schmidt
Username: Schmidt

Post Number: 6
Registered: 11-2006
Posted on Friday, March 09, 2007 - 9:01 am:   

Any even remotely modern PC will be able to run Linux/WebMO/GAMESS with excellent results (MOPAC/Tinker will not be the limiting factors). Your exact system requirements will depend on the size of the GAMESS calculations that you wish to run.

As a general rule of thumb, I would suggest the following:

* A dual core processor, or possibly a two-processor dual core solution (Intel Core 2, or AMD Opteron)
* At least 1 GB memory (and ideally 2 GB; certainly 2+ GB if you go two dual core processors)
* Around 300+ GB hard drive space

This will serve you well for some time.

As for linux distribution, I personally prefer Fedora Core 5, since its free and has good support for modern hardware. The most common problem with Linux usually occurs on NEW hardware (and not old), since the former is often lacking Linux driver support. Since FC5 is relatively new, this shouldn't be as much of a problem.
Posted on Monday, July 08, 2013 - 5:04 pm:   

Is there an up to date recommendation for hardware specifications when running WebMO on a Linux server ?
JR Schmidt
Username: Schmidt

Post Number: 364
Registered: 11-2006
Posted on Monday, July 08, 2013 - 5:10 pm:   

The system requirements for WebMO itself a very modest. The hardware requirements are primarily dictated by the type of computational chemistry jobs you will be running. As such, it is hard to give "universal" recommendations. But a good start, suitable for classroom and light research usage would be:

* A quad core Intel Core 2 processor (or better yet, a dual processor machine with 2x4 cores)
* At least 8 GB memory
* A large 1.5+ TB hard drive for storing data
* A smaller ~300+ GB enterprise-class (7.2k or 10k RPM) hard drive for scratch space for the calculations [not essential, but nice]

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