Hi all,
I wish to purchase an assembled PC for running MD simulations myself. My specifications are: 8GB RAM, 1 TB ROM, NVIDIA M2000 GPU apart from all other general features. I was unable to decide on the processor to use - will i7 7700 works better than AMD Ryzen 7 1700X? I don't have sufficient knowledge in hardware or software. Please tell me if these specs are good enough to run MD using GROMACS or NAMD for upto 30k atoms.
Thank you.
For those still looking for something similar, I would go with Intel 10th Gen Core i9 and Nvidia graphic cards.
AMD has a higher core advantage but is poor at handling memory, especially for earlier Threadripper CPUs. Maybe it is different in 3rd gen but with the top model going for more than USD 3900, I would wait before some can report a benchmark.
I would never trust AMD's processor despite their specification sounding great to go with their cheaper price. Get a good Intel's I7 processor along with a very good Nvidia's GPU. Having a good graphic card would drastically improve your simulation runtime. Good luck !!!
I'll suggest Xeon processors. The GPU which you mentioned I don't think speedup your simulation. The GXT/K/Titan/Phi series GPUs are dedicated for simulation speedup. If you can't afford these GPU then try to get Xeon high end processors with at least 12 core.
Thank you all for your answers. My budget is around INR 1.2 lakh, as I have to purchase myself (no funding is available for me). So please suggest me whether I can go ahead or not. Also if any better configurations are available at that price please tell me.
Thanks.
AMD Ryzen 1950 or 1920 or 1900X ....
https://www.tomsguide.com/us/amd-ryzen-benchmarks,review-4232.html
I would suggest conducting MD through one of the programs that take advantage of CUDA cores ( NAMD, Gromacs, VegaZZ, and others ). It is a comparison of thousands of cores vs 8 or 12 and time factor of 100x faster. The speed of the processor is more important than # of cores. However, for other than the MD itself core count will help. Look into NVidia GEforce 1080 Ti with I7 8700k at 4.3 Mh2.
Roberto,
for Desmond ( which spoils us all ) or Yasara how many atoms are present in the simulation ? With Maestro and 250 000 atoms ( mostly water ) I obtain 30 ns/day, with 9000 atoms maybe 300ns/day Nvidia 1080ti, I7 8700k
Paul
For those still looking for something similar, I would go with Intel 10th Gen Core i9 and Nvidia graphic cards.
AMD has a higher core advantage but is poor at handling memory, especially for earlier Threadripper CPUs. Maybe it is different in 3rd gen but with the top model going for more than USD 3900, I would wait before some can report a benchmark.
- Badges
- Science topic