[gmx-users] NVT problem

AKANXA TIWARI akanxatiwari24 at gmail.com
Sat Sep 22 17:56:27 CEST 2018

i am trying to simulating a protein after run NVT md run i got a not what i
will do. is this not show any problem.

Back Off! I just backed up nvt.edr to ./#nvt.edr.1#
starting mdrun 'TUBULIN ALPHA CHAIN'
50000 steps,    100.0 ps.
step 49900, remaining wall clock time:    35 s
Writing final coordinates.
step 50000, remaining wall clock time:     0 s
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:    70001.934    17500.483      400.0
                 (ns/day)    (hour/ns)
Performance:        0.494       48.611

GROMACS reminds you: "Uh-oh .... Right Again" (Laurie Anderson)

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