[gmx-users] Does Gromacs take advantage of ECC memory?

[Peter Stern]

Dear Andrew,

ECC is Error Correction Code for the memory and is not related to you application.
For a single-user workstation, you generally don't need the ECC.  It is more important in servers.
Not every motherboard supports ECC and most desktop motherboards do not, so if you do get it, 
you should be sure that your motherboard (not your app) can utilize ECC memory.

Peter Stern
Weizmann Institute of Science

-----Original Message-----
From: gromacs.org_gmx-users-bounces at maillist.sys.kth.se [mailto:gromacs.org_gmx-users-bounces at maillist.sys.kth.se] On Behalf Of Andrew DeYoung
Sent: Tuesday, June 23, 2015 6:36 PM
To: gromacs.org_gmx-users at maillist.sys.kth.se
Subject: [gmx-users] Does Gromacs take advantage of ECC memory?

Hi,

I'm looking into a workstation which I will use to run some Gromacs simulations.  I'm a chemist, not a computer person, so I'm not very well-versed in computer hardware.  I have the option of getting non-ECC or ECC memory, with the ECC being at extra cost.  In asking around about whether I need ECC, I've been advised to "research your simulation apps and see if they can take advantage of ECC."

I don't see ECC mentioned in the manual.  Does Gromacs take advantage of ECC?  The simulations I will be running will not be terribly large: on the order of ~10,000 atoms for a few tens of ns.  My system will likely have 8 cores.

Thanks so much for your time.

Andrew DeYoung
Carnegie Mellon University

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