Dear sir, its really a great video for beginners like me. being a student i want to assemble my own workstation for carring out some personal project where i will be using MDS can i assemble a workstation for around 80k for a 100 ns in around 2-3 days time?? can you please suggest me a bit cheaper version of self assembled system.
Thank you so much sir, i keep watching all your tutorials it's really student friendly and always very informative and to the point. . My humble regards sir
Hello Girinath. Thanks for sharing this information. I am also looking for such a system. I was wondering whether the ryzen 9 does the job at par with xeon w series? It does not support ECC, RAM, so does it matter in MDS? Just curious if you are doing mds with proteins and if yes how much ns/day are you geting for a kD of protein ?
Ryzen APU does not support ECC RAM, but all latest Ryzen CPU supports ECC but MoB should also support. X570 does support ECC We could also use unbufferred ECC RAMs Ryzen 9 3950X is in par with Xeon W-3245 But cost wise Xeon is far more expensive, may be more stable and others factors. Ran 200ns MD using NAMD on RTX2060 GPU and 8 CPU Tried GROMACS too in CPU. Some stats: twitter.com/giribio/status/1317515236912451584
@@giribio Thanks for the information. Recently i hv tested my colleagues machine which is a i9 10900k, 64gb 3200mhz ram (non ecc) with a 2080ti. For 47k atoms its giving around 345ns/day.
Hi giri, could you kindly name few vendors for the same who regularly supply these workstations. Are you still in this business of workstation? If yes, please provide your number.
Good morning Dr Giri First of all a very happy new year. Thanks a lot for your video I built the same machine with some modifications. I am an experimentalist trying to start DFT modelling for materials. After building the machine can you please suggest next steps. Like you have mentioned about two graphics cards I have installed both One 2 gb for display the second one i have to connect with monitor or it itself will work. Kindly share your mobile no and mail id also. Regards Dr Akshay Kumar
Thank you for the video, I am not an expert in computer sciences, but I think to build one in the future.
Thankyou for this class, l got lot of informations , now I am planing to build my on pc
Great!. Thank you!... Happy to answer any queries...
Hello Dr Girinath.I liked your video. Can you tell me it's performance on MD simulation i.e. ns/day
Can we purchase the LHR editions of RTX 2060 for MD simulations? Your views on it? There is so much price variation across platforms?
Means I want to know the requirements for assembling desktop for MD , MDS, VS, QSAR studies
Sir can you please say the recommendations a list of criteria useful for docking simulation studies
Which operating system did use ?Which LinuxOS version you would recommend for running Schrodinger Desmond?
Whether Mint is compatible with Schrodinger Desmond?
Dear sir, its really a great video for beginners like me. being a student i want to assemble my own workstation for carring out some personal project where i will be using MDS can i assemble a workstation for around 80k for a 100 ns in around 2-3 days time?? can you please suggest me a bit cheaper version of self assembled system.
You could invest more on GPU card with more CUDA cores and have 4 core CPU. So that could achieve 100ns within 2-3 days...
Thank you so much sir, i keep watching all your tutorials it's really student friendly and always very informative and to the point. . My humble regards sir
Hello Girinath. Thanks for sharing this information. I am also looking for such a system. I was wondering whether the ryzen 9 does the job at par with xeon w series? It does not support ECC, RAM, so does it matter in MDS?
Just curious if you are doing mds with proteins and if yes how much ns/day are you geting for a kD of protein ?
Ryzen APU does not support ECC RAM, but all latest Ryzen CPU supports ECC but MoB should also support.
X570 does support ECC
We could also use unbufferred ECC RAMs
Ryzen 9 3950X is in par with Xeon W-3245
But cost wise Xeon is far more expensive, may be more stable and others factors.
Ran 200ns MD using NAMD on RTX2060 GPU and 8 CPU
Tried GROMACS too in CPU.
Some stats: twitter.com/giribio/status/1317515236912451584
@@giribio Thanks for the information. Recently i hv tested my colleagues machine which is a i9 10900k, 64gb 3200mhz ram (non ecc) with a 2080ti. For 47k atoms its giving around 345ns/day.
how much cost it will take sir? please inform me.
Hi giri, could you kindly name few vendors for the same who regularly supply these workstations. Are you still in this business of workstation? If yes, please provide your number.
Good morning Dr Giri
First of all a very happy new year.
Thanks a lot for your video
I built the same machine with some modifications.
I am an experimentalist trying to start DFT modelling for materials.
After building the machine can you please suggest next steps.
Like you have mentioned about two graphics cards I have installed both
One 2 gb for display the second one i have to connect with monitor or it itself will work.
Kindly share your mobile no and mail id also.
Regards
Dr Akshay Kumar
Great 👍. I remember we discussed about this.