General

Profile

Artem Zhmurov

Issues

Projects

Activity

07/07/2020

11:50 AM GROMACS Revision 2c644d3b: Make cl_nbparam into a struct
This is needed to unify with CUDA path

06/26/2020

12:54 PM GROMACS Revision f2bdc4cd: Make holder for simulation configuration
Make a class that holds values of:
useModularSimulator
mdrunOptions
startingBehavior
doRerun
runScheduleWork
inside...

06/25/2020

05:31 PM GROMACS Revision 11302f48: Make cl_nbparam into a struct
This is needed to unify with CUDA path

06/24/2020

12:26 PM GROMACS Revision e30c0894: Fix minor nit-picks
1. Make the array with device status names static.
2. Expilcitely list integers in enumeration.

06/22/2020

08:28 PM GROMACS Revision c2bcbe5e: Remove DeviceStream include from GPU traits
GPU traits no longer use DeviceStream directly, so it should not be
included there.

06/16/2020

06:37 PM GROMACS Revision eb7fd37e: Add missing end-of-line in the GPU update assignment error message

06/12/2020

10:12 AM GROMACS Revision 6993ee69: Replace compile_cpp_as_cuda(...) with CUDA runtime header inclusion
To make CUDA-specific tipes visible, one should either use CUDA compiler
for the files where they are exposed, or inc...

06/09/2020

04:49 PM GROMACS Revision 05e9a6d1: Make SD stuff private for update.cpp
1. Make update_sd_second_half(...) into a method of Update class
2. Make update_temperature_constants(...) into a met...
11:14 AM GROMACS Revision 0b5bbc41: Make SD stuff private for update.cpp
1. Make update_sd_second_half(...) into a method of Update class
2. Make update_temperature_constants(...) into a met...

06/08/2020

09:54 PM GROMACS Revision bf3d921f: Move constraints related logic to constraints file
The constrain_coordinates/velocities functions are not related to
update in any way. Also, they share most of the log...

Also available in: Atom