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Jun 17, 2021 at 17:10 comment added lupe As an HPC geek, yeah, this isn't going to work well - though, if you have access to a lot of consumer grade machines, HTCondor is pretty good at getting consumer grade hardware into a useful HPC like resource - be warned, I've fried at least 6 machines with it - making an auto restart script is a bad idea
Jun 17, 2021 at 13:53 comment added Buttonwood Stackoverlow has a dedicated tag «cluster-computing», with entries like this and this. Some build their own cluster (example) as a cheaper home / DIY procject.
Jun 17, 2021 at 9:58 comment added schoon Actually I remember now there were lots of issues around networking which took me awhile because I had no networking experience.
Jun 17, 2021 at 9:56 comment added schoon Took me a long time to get it right! But a lot of problems were due to the machines' limitations. If you want hadoop Cloudera's auto-install got better over the years but there were always problems. If all goes well just a few hours, but nothing ever goes well!
Jun 17, 2021 at 8:16 comment added Parmeet Singh EP 066 @schoon How much time would it take to assemble considering I have no knowledge about HPC and other computing stuff. I am also pretty new to computational chemistry.
Jun 17, 2021 at 7:55 comment added schoon I created a cluster about 4 years ago using crappy laptops to run Hadoop. Was a bit slow but not so bad. Just used an ethernet switch and Ubuntu (can get replace Win with that). It allowed me to work on much bigger data sets.
Jun 16, 2021 at 22:45 answer added Jimmio92 timeline score: 4
Jun 16, 2021 at 18:30 comment added wzkchem5 Can't you buy some CPU-hours from a supercomputer service? If you are part of a research group in a university or a research institute, it should always be possible to do so, typically by registering an account at a supercomputer center and paying for your CPU-hours at regular intervals
Jun 16, 2021 at 17:07 comment added Nike Dattani - No Free Time @Greg Sounds like that could be written as an answer!
Jun 16, 2021 at 16:59 answer added ciamej timeline score: 10
Jun 16, 2021 at 16:57 comment added A rural reader Might be worthwhile to check out aws.amazon.com/hpc/parallelcluster.
Jun 16, 2021 at 16:50 comment added Greg No. 0) "clusters" with 2-3 nodes make no sense. one node runs all kinds of admin software, the remaining 1 or 2 nodes doing the actual computation... zero speedups compare to one node. 1) admin of any cluster is a lot of work (= cost), 2) laptop hardware is not the most reliable compared to the price, generally has bad cooling, small memory, etc, so your project would be frying after a day or two 3) DFT in 3D scales purely, so you will need 10-20X more computational power to see any difference.
Jun 16, 2021 at 16:38 history became hot network question
Jun 16, 2021 at 16:34 history edited Nike Dattani - No Free Time CC BY-SA 4.0
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Jun 16, 2021 at 10:39 vote accept Parmeet Singh EP 066
Jun 16, 2021 at 1:22 comment added Camps My strong recommendation is: if you don't have access to huge computational resources, go with SIESTA that it is much less resource consuming.
Jun 15, 2021 at 20:41 answer added Nike Dattani - No Free Time timeline score: 18
Jun 15, 2021 at 20:24 history edited Nike Dattani - No Free Time CC BY-SA 4.0
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Jun 15, 2021 at 20:18 history asked Parmeet Singh EP 066 CC BY-SA 4.0