[gmx-users] Questions on reducing large loading imbalance
yliu120 at jhmi.edu
Mon Aug 18 19:15:00 CEST 2014
Hi Gromacs Users,
I have experienced a problem of large loading imbalance for a long time.
I usually got a log file like this:
DD step 99999 load imb.: force 13.2%
Step Time Lambda
100000 200.00000 0.00000
U-B Proper Dih. Improper Dih. CMAP Dih. LJ-14
5.17644e+04 1.49735e+04 3.26712e+03 -1.31906e+03 2.01143e+04
Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR) Coul. recip.
2.55757e+05 4.04666e+05 -3.15240e+04 -3.74303e+06 2.30293e+04
Position Rest. Potential Kinetic En. Total Energy Conserved En.
7.72298e+03 -2.99458e+06 6.15259e+05 -2.37932e+06 -3.10501e+06
Temperature Pres. DC (bar) Pressure (bar) Constr. rmsd
3.09333e+02 -2.16110e+02 -2.79932e+01 3.19468e-05
I don't know how to reduce the large loading imbalance. Can anyone please give me any advices on that? Thank you.
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