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Pcosta (talkcontribs)

hello

I need help

I would like to run quantum espresso

but I did not understand very well how to do it

ok thank you

ok

thank for the example

usually I just run .pw

I don't need other

ok

but can I upload pseupotential that I need?

exactly

i need to check this

I am going to try

If I need help I will contact again here

it seems pretty easy

and the service is expensive?

example

I need to compute calculation that may take 2 days on 32 processor

how much will be?

ok

and another question

the allocation of cpu and memory is automatic?

I was used to set

ok

ok

that's cool

thanks a lot

but sorry

maybe I am wrong

if I use 32 processor for 48 hrs

it will be about 31 dollar

is it right?

just for one job

if I have to do it for 20 jobs will be about 600 dollars

it looks expensive to me

ok ok

but the calc I have to rub are quite heavy

more than 100 atoms

example

right now I am using a cluster of university

last job I submitted was run in 64 cpu for 4 days...

yes for sure

I am researcher at university

how much would be the discount?

I can ask him

ok ok

thanks

thanks for all the information

sorry but now I have to go

Centaure99 (talkcontribs)

Let me know what help you need

Give me 1 min. Let me send you an example

https://kogence.com/app/docs/Topic:Usu1m53994mbb04h

let me know if this helps

We run quantum espresso in kogence using a shell script. Your input files goes inside this shell script.

Above link has a functional model, I suggest you copy this model, give it a newname and then modify the shell script with your own input file.

sure.

go to files tab, maybe create a new folder and then upload there

make sure you provide path in the shell script. use relative paths.

sure. you will generally get faster reply if you post your question on forum. that way multiple support staff can pick up your question.

You can check the pricing page. Generally you get very good price if you purchase larger compute credit blocks. I believe it is abot $0.02/cpu/hr

yes it is. you will just go to settings->machine and pick whichever machine you want to run it on.

we user SLURM scheduler and automatically do MPI wrapping and everything else and automatically generate schduler submission file and submit it for you. you dont see any of those details.

let us know if you have any further questions.

If you are using all these machines 100% capacity and 100% of time, then yes. That looks right. You can use same machine for multiple jobs.

For example, you started a simulation on 4cpu machine and selected ime limit as 1hr but it ended in 25mins. You can start a different simulation on same machine type and you will not be charged again.

Similarly, you dont have to pick 32 core machine if your job does not need all 32 cores. You can pick most suitable machine for any given job.

In that case, your numbers appear to be right. By the way we are most cost effective service if you have looked around. We are about 1/5th of amazon, for example.

I can totally sympathize with you. I used to do same back in school. That is the motivation for starting this service. Hopefully you find it useful and cost effective.

By the way we offer discounts for academic research (if it is funded by public agency) as well as for classroom teachings. If any of those apply to you.

Well, it would be better if you have the research supervisor or instructor contact us through Contact link on website. It is customization depending on needs.

Generally speaking, if research supervisor is requesting grant from a public agency for computing resources on kogence then we gaurantee that you will get twice the amount of computing power that you will otherwise get either on government cluster or onpremise cluster for same amount of funding.

On the other hand, if a course instructor uses kogence for all computing needs of a scientific modeling course in a university then we provide same amount of computing that was used in first semester for the second semester for free.