From: Roshan Shrestha (roshanpra_at_gmail.com)
Date: Sat Dec 19 2020 - 08:12:30 CST
I think that the error message is self explanatory. A simple googling would
suggest you with the solution to same kind of previous issues. Thanks.
On Sat, 19 Dec 2020, 19:55 Mi Yang, <drmiyang2019_at_gmail.com> wrote:
> Please if anyone has time. Kindly comment on error:
>
> LDB: ============= START OF LOAD BALANCING ============== 427.397
> LDB: ============== END OF LOAD BALANCING =============== 427.397
> Info: useSync: 0 useProxySync: 0
> LDB: =============== DONE WITH MIGRATION ================ 427.398
> LDB: ============= START OF LOAD BALANCING ============== 427.472
> LDB: Largest compute 91 load 0.012960 is 20.1% of average load 0.064504
> LDB: Average compute 0.001270 is 2.0% of average load 0.064504
> LDB: TIME 427.473 LOAD: AVG 0.0645037 MAX 0.0740106 PROXIES: TOTAL 268
> MAXPE 13 MAXPATCH 7 None MEM: 3701.54 MB
> LDB: TIME 427.473 LOAD: AVG 0.0645037 MAX 0.0740106 PROXIES: TOTAL 293
> MAXPE 16 MAXPATCH 10 RefineTorusLB MEM: 3701.54 MB
> LDB: TIME 427.474 LOAD: AVG 0.0645037 MAX 0.0670093 PROXIES: TOTAL 295
> MAXPE 16 MAXPATCH 10 RefineTorusLB MEM: 3701.54 MB
> LDB: ============== END OF LOAD BALANCING =============== 427.475
> Info: useSync: 0 useProxySync: 0
> LDB: =============== DONE WITH MIGRATION ================ 427.476
> ERROR: Atom 22221 velocity is -14189.9 27.0305 6562.5 (limit is 10000,
> atom 777 of 999 on patch 42 pe 18)
> ERROR: Atom 4063 velocity is 17381.5 -1472.13 -10044 (limit is 10000, atom
> 997 of 999 on patch 42 pe 18)
> ERROR: Atoms moving too fast; simulation has become unstable (2 atoms on
> patch 42 pe 18).
> FATAL ERROR: Low global exclusion count! (89972 vs 89977) System
> unstable or pairlistdist or cutoff too small.
>
> FATAL ERROR: See http://www.ks.uiuc.edu/Research/namd/bugreport.html
> [0] Stack Traceback:
> [0:0] [0x20094910]
> [0:1] [0x204abb66]
> [0:2] [0x204b3616]
> [0:3] [0x204a1a42]
> [0:4] [0x20c01e60]
> [0:5] [0x21132c80]
>
>
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