Hello everyone, I enabled CUDA support in LAMMPS and was running simulations using EAM potential files. Now, when I started to do calculation using an MEAM potential file, the simulation is not utilizing GPU support. Instead, it uses CPU for computing, which takes longer simulation time.
I got to know that its not using GPU details as it was not showing any details related to GPU settings etc. it used to show (mentioned below).
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- Using acceleration for eam/alloy:
- with 1 proc(s) per device.
- Horizontal vector operations: ENABLED
- Shared memory system: No
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Device 0: NVIDIA RTX A2000 12GB, 26 CUs, 12/12 GB, 1.2 GHZ (Mixed Precision)
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Also, the simulation took longer time to complete.
The lammps version I am using is 27 Jun 2024. The command I am using for running simulation is,
lmp_machine -sf gpu -pk gpu 1 -in in.script
Am I missing anything trivial?
Thanks