GROMACS development

Today

07:55 AM GROMACS Revision 20db033e: Restore destructor for GpuTest and gmx_hw_info_t

Needed to able to forward-declare DeviceInformation in headers

09/29/2020

04:24 PM GROMACS Revision 263a6dcf: Don't use fah_fsync

There's no need in a custom fsync functionality for F@H core.
Signed-off-by: Dmitry Moskalchuk <dm@crystax.net>

04:08 PM GROMACS Revision c278064b: Remove two-stage initialization in DeviceStream

A default constructor was needed for DeviceStream as an intermediate
measure to make the refactoring easier. It now c...

09/28/2020

08:00 AM GROMACS Revision 825a4769: add detection of CPX 5300 w/ 2FMAs

Signed-off-by: Hammond, Jeff R <jeff.r.hammond@intel.com>

09/21/2020

10:26 AM GROMACS Revision b216933b: Do not run PinnedMemoryCheckerTest when there are no CUDA-capable devices

If there are no CUDA devices in the system, cudaPointerGetAttributes(...)
CUDA API call returns an error. This causes...

09:59 AM GROMACS Revision 1159d79d: Move the message to the deprEcation-policy file

Also update the message according to the move

09/20/2020

11:18 AM GROMACS Revision b3074a40: Set active device when the device stream manager is initialized

Replace the direct CUDA API call in PME by the wrapper called
when the device context and streams are created.

10:56 AM GROMACS Revision 987e93f3: Allow using old environment variables, but print deprecation message

The following environment variables were unified in
2c644d3b5ebb64f6c89a5db36160c9dc30329888:
GMX_CUDA_NB_ANA_EWALD ...

09/17/2020

02:49 PM GROMACS Revision 288cd3bf: Remove the CPU hardware context from the general list of test hardware contexts

Having CPU code path in the general hardware context list leads to having
many if (CPU) clauses. This complicates thi...

09/15/2020

06:43 PM GROMACS Revision c5378b37: Use common device context header for OpenCL

This moves the OpenCL specific definition into under macro in the main header.
Makes device stream and context defini...