The discussion revolves around the challenges of using Biovia Materials Studio on an older computer, exploring potential solutions for hardware limitations and the capabilities required for effective use of the software.
Participants express differing views on the hardware requirements for running Biovia Materials Studio, with some advocating for a new computer while others suggest that less powerful machines may be adequate. The discussion remains unresolved regarding the specific capabilities of Onetep and the necessary hardware for its effective use.
There is uncertainty regarding the exact computational demands of Onetep and how they compare to the capabilities of standard computers. The discussion also highlights varying interpretations of the hardware requirements for Biovia Materials Studio.
universities have supercomputing services if you are a researcher, I wonder if there is a paid service similarphinds said:Buy a new computer seems about the only thing.
You don't need a supercomputer, which would be overkill. A computer with an Intel Core i5 processor or equivalent, plus 4 GB of RAM. An nVidia Quadro graphics card is recommented. See http://accelrys.com/products/collab...erials-studio/system-requirements-for-ms.html.jonjacson said:universities have supercomputing services if you are a researcher, I wonder if there is a paid service similar
but onetep calculates hundreds of atoms properties, I doubt you can do that with a normal computerMark44 said:You don't need a supercomputer, which would be overkill. A computer with an Intel Core i5 processor or equivalent, plus 4 GB of RAM. An nVidia Quadro graphics card is recommented. See http://accelrys.com/products/collab...erials-studio/system-requirements-for-ms.html.
I don't know what onetep is -- you asked about Biovia Materials Studio, and I reported what they have for hardware requirements. Whatever it means to calculate the properties of "hundreds of atoms" is probably within the capabilities of a modern CPU. But again, I don't know what onetep is or does, so I can't say for sure.jonjacson said:but onetep calculates hundreds of atoms properties, I doubt you can do that with a normal computer
So Biovia contain several programs, like Castep, Dmol3 or Onetep, each one is being developed to calculate specific models it may be quantum mechanics or it may be mesoscale models, Onetep is the one that is useful to calculate properties of high number of atoms molecules.Mark44 said:I don't know what onetep is -- you asked about Biovia Materials Studio, and I reported what they have for hardware requirements. Whatever it means to calculate the properties of "hundreds of atoms" is probably within the capabilities of a modern CPU. But again, I don't know what onetep is or does, so I can't say for sure.