[gmx-users] NVT equalibriation

[Dallas Warren]

https://mailman-1.sys.kth.se/pipermail/gromacs.org_gmx-users/2018-September/122370.html

Catch ya,

Dr. Dallas Warren
Drug Delivery, Disposition and Dynamics
Monash Institute of Pharmaceutical Sciences, Monash University
381 Royal Parade, Parkville VIC 3052
dallas.warren at monash.edu
---------------------------------
When the only tool you own is a hammer, every problem begins to resemble a nail.
On Tue, 25 Sep 2018 at 02:14, AKANXA TIWARI <akanxatiwari24 at gmail.com> wrote:
>
> Hello
> i have been performed NVT equalibriation for three time each time i got a
> note . Is this not is harmful?
> NOTE: Detected invalid cycle counts, probably because threads moved between
> CPU cores that do not have synchronized cycle counters. Will not print the
> cycle accounting.
>
>                Core t (s)   Wall t (s)        (%)
>        Time:    76515.008    19128.752      400.0
>                          5h18:48
>                  (ns/day)    (hour/ns)
> Performance:        0.452       53.134
>
> GROMACS reminds you: "If You Touch Me, You'll Get Shocked" (Beastie Boys)
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