[gmx-users] Running md in different systems

Kavyashree M hmkvsri at gmail.com
Wed May 11 10:26:27 CEST 2011

Dear users,

    I was running an MD in a system with 8 cores, for some
reasons I had to shift the job to another system with
same OS and gromacs version. After I started runnning
it said

"Gromacs binary or parallel settings not identical to previous run.
Continuation is exact, but is not guaranteed to be binary identical."

How does this effect the run and also it gave a warning saying
"WARNING: This run will generate roughly 2054591408127343104 Mb of data" !!

which generally used to be around 5GB!

What is wrong here?

Thank you
With regards
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20110511/79da9b75/attachment.html>

More information about the gromacs.org_gmx-users mailing list