Comparing GPU-resident to GPU-offload on ApoA1 benchmark

Benchmarking for A100 GPUs on TCB puck
(HGX-A100: 4x A100-SXM4-40GB, 2x AMD EPYC 74F3 24-Core Processor)

GPU-resident performed best launching 4 cores:
$NAMD +p4 +setcpuaffinity +devices 0 apoa1_gpures_nve.namd

GPU-offload performed best launcing all cores:
$NAMD +p48 +setcpuaffinity +devices 0 apoa1_gpuoff_nve.namd

