Mark Abraham

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  • Last connection: 10/01/2014

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Reported issues: 140

10/14/2014

02:15 PM Gromacs Bug #1442: Not consistent solvation free energies differencies
Can you upload some tarballs of your latest grompp inputs, .tpr and resulting .log files, please Oleg?
02:12 PM Gromacs Bug #1596: mdrun crashes in specific free energy runs
I've uploaded a fix, Oleg. It would be great if you could follow the link to Gerrit, download the latest patch and ve...

10/06/2014

12:37 PM Gromacs Bug #1617: uncrustify indenting strangely
For me (using uncrustify 0.60 from the gromacs branch of the git repo), @admin/uncrustify.sh --rev=HEAD^ update-workd...

10/04/2014

12:51 PM Gromacs Bug #1442: Not consistent solvation free energies differencies
Oleg Titov wrote:
> Nice news!
>
> I've put a stub for issue #1596 to investigate electrostatic and VdW contribut...
12:41 PM Gromacs Bug #1442: Not consistent solvation free energies differencies
Oleg Titov wrote:
> BTW There are no news about 5.0.1 release on the website. :)
Fixed, thanks.
12:39 PM Gromacs Bug #1617 (New): uncrustify indenting strangely
https://gerrit.gromacs.org/#/c/3953/7..8/src/gromacs/listed-forces/bonded.h shows uncrustify sometimes wants to inden...
10:21 AM Gromacs Bug #1616 (New): configuration should check that the compiler will work with nvcc
We've had a couple of gmx-users posts complain of a build-time error from nvcc when someone uses a compiler that thei...

10/03/2014

12:17 PM Gromacs Bug #1611: gmx freevolume segfaults and dumps core
Michael, in general you can get the development version (master) branch by following instructions at http://www.groma...
09:38 AM Gromacs Bug #1615 (New): possible bug in shell code
When I converted shellfc.c to C++, the static analysis doesn't like a possible code path through predict_shells() - s...

10/02/2014

01:04 AM Gromacs Bug #1593: step-size scaling in lbfgs doesn't work as intended
But the static analyzer points out that stepsize is now unused, rather merely over-written... http://jenkins.gromacs....

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