Output Control
--------------
-``GMX_CONSTRAINTVIR``
- Print constraint virial and force virial energy terms.
-
``GMX_DUMP_NL``
Neighbour list dump level; default 0.
files. Set to 0 for quiet operation.
``GMX_ENABLE_GPU_TIMING``
- Enables GPU timings in the log file for CUDA. Note that CUDA timings
- are incorrect with multiple streams, as happens with domain
+ Enables GPU timings in the log file for CUDA and SYCL. Note that CUDA
+ timings are incorrect with multiple streams, as happens with domain
decomposition or with both non-bondeds and PME on the GPU (this is
also the main reason why they are not turned on by default).
``GMX_DISABLE_GPU_TIMING``
timing of asynchronously executed GPU operations can have a
non-negligible overhead with short step times. Disabling timing can improve performance in these cases.
+ Timings are disabled by default with CUDA and SYCL.
``GMX_DISABLE_GPU_DETECTION``
when set, disables GPU detection even if :ref:`gmx mdrun` was compiled
``GMX_OCL_DISABLE_FASTMATH``
Prevents the use of ``-cl-fast-relaxed-math`` compiler option.
+ Not: fast math is always disabled on Intel devices due to instability.
``GMX_OCL_DUMP_LOG``
If defined, the OpenCL build log is always written to the
``GMX_OCL_NOGENCACHE``).
- NVIDIA GPUs: PTX code is saved in the current directory
- with the name ``device_name.ptx``
- - AMD GPUs: ``.IL/.ISA`` files will be created for each OpenCL
+ with the name ``device_name.ptx``
+ - AMD GPUs: ``.IL/.ISA`` files will be created for each OpenCL
kernel built. For details about where these files are
created check AMD documentation for ``-save-temps`` compiler
option.