[gmx-users] Supercomputing facility

[sun]

Thank you very much.

Sent from my iPhone

> On 15-Jul-2016, at 7:20 am, André Farias de Moura <moura at ufscar.br> wrote:
> 
> Hi Suniba,
> 
> assuming that # 5 is GROMACS, then # 2-4 are the required dependencies to
> have GROMACS running, # 8 is parallel and # 9 is Y.
> 
> all the other questions refer to the allocation size and the best answer is
> usually bigger is better. In practice, the largest possible size of the
> allocation depends either on how much money you can afford (if it is paid
> for) or on the limits imposed by your system admin (if it is not paid for).
> 
> I hope it helps
> 
> Andre
> 
> 
>> On Thu, Jul 14, 2016 at 3:19 PM, sun <sun.iba2 at gmail.com> wrote:
>> 
>> Hello Users and experts
>> 
>> We are going to create an account for a supercomputing facility. They have
>> asked to fill a form to initiate the process. I am confused about certain
>> terms as I belong to biology background. Please help me with these specific
>> terms and what should I fill in to get good performance and enhnaced speed
>> of Gromacs for mdruns. We will be 3 student using this facility.
>> 
>> Estimated computing usage requirement:-
>> 1) CPU cores:
>> 2)Special requirements
>> 3)Compilers
>> 4)Libraries
>> 5)Applications/Tools
>> 6)Scratch area (in GB)
>> 7)Home area (in GB)
>> 8)Nature of code (parallel/series)
>> 9)Application code readiness(Y/N)
>> 
>> Please help me fill this form so that I can apply as early as possible.
>> With Regards
>> Suniba
>> 
>> Sent from my iPhone
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> 
> 
> 
> -- 
> _____________
> 
> Prof. Dr. André Farias de Moura
> Department of Chemistry
> Federal University of São Carlos
> São Carlos - Brazil
> phone: +55-16-3351-8090
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