General

Profile

Bernd Doser

Issues

Activity

03/18/2019

12:47 PM GROMACS Bug #2892: Wrong avx-512 support for own fftw build using clang-6
Dear Mark,
thanks for the verification. I was setting the compiler with
-DCMAKE_C_COMPILER=clang
-DCMAKE_CXX...

03/13/2019

11:36 AM GROMACS Bug #2892 (Closed): Wrong avx-512 support for own fftw build using clang-6
Building GROMACS 2019.1 with
cmake -DCMAKE_BUILD_TYPE=release -DGMX_BUILD_OWN_FFTW=ON ..
make
using clang-...

10/27/2017

11:31 AM GROMACS Feature #2283 (New): Force distribution analysis
The force distribution analysis (FDA) is a well-established tool for the calculation of time-resolved pairwise forces...

09/12/2014

11:56 AM GROMACS Bug #1595 (Rejected): unit test will not be generated using GMX_BUILD_UNITTESTS=ON
Using 'cmake -DGMX_BUILD_UNITTESTS=ON ..' the unit tests are not available after the compilation. I can only create t...

Also available in: Atom