Re: [AMBER] help in restart file

From: David A Case <>
Date: Fri, 30 Dec 2016 07:47:20 -0500

On Thu, Dec 29, 2016, Robin Jain wrote:

> From few days, i am facing a problem. When i run my MD job on parallel
> MPI, i got the* empty restart file with keyword default_name. *What does it
> mean and how could i restart my stopped job without last coordinates.

We certainly need *lots* more information than you have provided. Run a short
test run without MPI; then run the same short run with 2 threads. Study the
mdout file carefully.

If you cannot figure it out, at a minimum show us the *exact* command line
you used. Did you ask for a non-default restart name? Note that the file
names the program is really using are printed at the beginning of the the
mdout file: make sure those are what you think they should be.


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Received on Fri Dec 30 2016 - 05:00:03 PST
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