[gmx-users] PME slows down

Jason de Joannis jdejoan at emory.edu
Thu May 26 17:51:04 CEST 2005

I am running a rather intensive (106K atoms) lipid bilayer simulation
with PME for 100 ns. Initially the time-to-completion estimate is
about 16 days. However over the course of 9 days the estimate increases
monotonically to 110 days. I have run quite a few simulations like this
before on the same hardware, though usually with cutoffs.
Jason de Joannis, Ph.D.
Emory University
1515 Pierce Dr, Atlanta, GA 30329
Phone: (404) 712-2983
Email: jdejoan at emory.edu

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