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Victor Rusu

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12/17/2019

03:26 PM GROMACS Feature #3242: Please do not remove the -nsteps flag
I understand the reason why you guys want to drop the nsteps. And I also know about the workaround.
In practice, I a...
10:31 AM GROMACS Feature #3242: Please do not remove the -nsteps flag
Dear Mark and Eric,
Thanks for the replies.
We do use both maxh and nsteps. The reason we use these flags is that...

12/16/2019

09:36 AM GROMACS Bug #3243 (Feedback wanted): Convert GROMACS 1 OpenMP thread per rank fatal error into a warning
Dear GROMACS team,
GROMACS defines a Fatal error when one selects 1 OpenMP thread per rank.
The specific GROMA...
09:09 AM GROMACS Feature #3242 (New): Please do not remove the -nsteps flag
Dear GROMACS team,
As part of a support team in an HPC center, one of my duties is to help users to run jobs on ou...
09:04 AM GROMACS Bug #2927: CMake 3.14.1 fails to properly run gmxDetectCpu.make
I have also tested with CMake 3.14.0, CMake 3.14.1, CMake 3.14.5 and CMake 3.15.4 and the 2019.4 version.
In all cas...

06/11/2019

02:42 PM GROMACS Bug #2927: CMake 3.14.1 fails to properly run gmxDetectCpu.make
Paul Bauer wrote:
> Hello, any updates on if this is a CMake bug?
Dear Paul, I checked newer versions of CMake, f...

04/16/2019

04:16 PM GROMACS Bug #2927 (Closed): CMake 3.14.1 fails to properly run gmxDetectCpu.make
CMake is not able to compile cpuinfo.cpp when compiling GROMACS 2019.1 on Piz Daint (Cray system) with CMake version ...

06/02/2015

01:57 PM GROMACS Bug #1704: Multiple dihedrals v5.0.2
Dear Developers,
I would like to attach the files concerning this bug.
To make things simple. I attached two fol...

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