[gmx-users] restart does not automatically use checkpoint?
Peter C. Lai
pcl at uab.edu
Thu Dec 8 10:22:37 CET 2011
I attempted to do a restart of an aborted mpirun 4.5.4 simulation
with -deffnm but no explicit -cpi. However, the simulation did not restart
from the checkpoint but started from 0. Is this a known issue? Do restarts
require explicit -cpi flag? (since the workflow I use to extend a run
using tpbconv -extend uses -cpi on a different checkpoint filename and I know
that does start the new run from the explicit checkpoint).
--
==================================================================
Peter C. Lai | University of Alabama-Birmingham
Programmer/Analyst | KAUL 752A
Genetics, Div. of Research | 705 South 20th Street
pcl at uab.edu | Birmingham AL 35294-4461
(205) 690-0808 |
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