Hi,
Today I realized that I introduced a bug in the checkpoint writing just before
the RC1 release.
Checkpointing are only written when the step is coincidentally an energy output
step
(or correctly when the -nosum option is used).
I have fixed it in CVS, so it will be fixed in the next release.
Berk
From: [EMAIL PROTECTED]
To: [email protected]
Date: Tue, 7 Oct 2008 15:11:04 +0200
Subject: [gmx-users] Checkpointing: Status in current CVS version?
Hello all,
I tried to use checkpointing with the following command:
mdrun -v -cpi status.cpt -o status.cpt -cpt 1
...but no checkpoints are written after 1 minute in current (this morning) cvs
version. Am I using it wrong? Do .mdp options such as output frequencies
influence the checkpoint writing?
Best wishes
Martin
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