[gmx-users] Continuing job in another machine
hmkvsri at gmail.com
Wed May 11 13:09:18 CEST 2011
So that number doesnt mean what it says!
On Wed, May 11, 2011 at 4:27 PM, Mark Abraham <mark.abraham at anu.edu.au>wrote:
> On 11/05/11, *Kavyashree M * <hmkvsri at gmail.com> wrote:
> Dear users,
> I was running an MD in a machine with 2 quad core processors
> using all 8 cores system cores, for some reasons I had to shift the
> job to another machine with 2 quad cores processors, identical OS
> and gromacs version using 8 cores. After I started runnning using check
> file it said -
> " Build time mismatch,
> current program: Thu Jan 20 12:00:01 IST 2011
> checkpoint file: Thu Jan 20 11:57:38 IST 2011
> Build user mismatch,
> current program: kavya at alder
> checkpoint file: kavya at yamuna
> 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
> See http://www.gromacs.org/Documentation/Terminology/Reproducibility.
> Under normal circumstances there is nothing of concern.
> "WARNING: This run will generate roughly 2054591408127343104 Mb of data" !!
> which generally used to be around 5GB!
> What is wrong here? Kindly reply.
> Some kind of integer datatype is different on the two machines, and some
> kind of overflow is happening in the estimation. Don't worry about it.
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