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Fix crash in NbnxmSetupTest

Andrey Alekseenko requested to merge aa-4888 into release-2024

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)

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