[gmx-developers] dEkin/dl parallelization issue

Igor Leontyev ileontyev at ucdavis.edu
Thu Dec 10 11:10:22 CET 2015

Thank you guys for prompt response.

I have submitted log-files and tpr-file that reproduces the problem on 
http://redmine.gromacs.org, see Issue #1873. The dEkin/dl value 
intsability is observed with gmx-5.1 OMP thread parallelization.

If the data provided is not sufficient to catch the bug I will test 
different gromacs versions and other suggested options.

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