Fix crash in NbnxmSetupTest
A device pointer was not initialized to nullptr
in gpu_plist
.
In normal MD run, we called nonbonded_verlet_t::constructPairlist
later,
which correctly initialized the buffer. But in the test, we were
immediately trying to free the buffer in gpu_free
, passing the
uninitialized value to cudaFree
.
The uninitialized buffer was added in 2023, but we only started freeing it in 2024 (495c9115), so the problem only affects GROMACS 2024.
Fix proposed by @mdoijade in !3779 (merged)
Co-authored-by: Mahesh Doijade mdoijade@nvidia.com
Closes #4888 (closed)