Advice on hardware for NAMD

From: Raman Preet Singh (ramanpreetsingh_at_hotmail.com)
Date: Fri Apr 23 2021 - 04:09:25 CDT

• Next message: Giacomo Fiorin: "Re: Error Analysis in Metadynamics"
• Previous message: David Hardy: "Re: Meaning of the warning: Low global exclusion count!"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]

Dear All,

I am looking towards upgrading my workstation and would like inputs about hardware keeping in view the current NAMD versions and future updates/versions.

1. Does ECC certified versus non-ECC RAM make any difference?
2. RTX 30 series GPUs are hard to find. Looking at the readily available alternatives, I wonder what are the things I should look into apart from the boost speed and number of CUDA cores. Does NAMD benefit from VRAM size, high RT and tensor core counts, etc.?

Thanks in advance for your help.

Regards,
Raman

Get Outlook for Android<https://urldefense.com/v3/__https://aka.ms/AAb9ysg__;!!DZ3fjg!s9lwJqNtzaeWhrti9U2-gRpkIU8uALrkZvwBfQassm05kUhQr4jwNtjPTmUWM2yy2A$ >

• Next message: Giacomo Fiorin: "Re: Error Analysis in Metadynamics"
• Previous message: David Hardy: "Re: Meaning of the warning: Low global exclusion count!"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]

This archive was generated by hypermail 2.1.6 : Fri Dec 31 2021 - 23:17:11 CST