Re: Possible issue with NAMD_2.13_Linux-x86_64-multicore-CUDA version for Drude support

From: JC Gumbart (
Date: Wed Aug 05 2020 - 15:44:38 CDT

If it was a bug, presumably it was fixed. As you point out, the newer version works.


> On Aug 5, 2020, at 11:11 AM, HEMANTH H <> wrote:
> Dear NAMD community,
> I had been using NAMD to run simulations of systems with drude particles, and I observed that the simulations crash by flagging "Drude Hardwall error" for simulations of large systems (>50,000 atoms) on NAMD_2.13_Linux-x86_64-multicore-CUDA version, but the same simulations work perfectly fine on NAMD_Git-2019-03-15_Linux-x86_64-multicore-CUDA version. I don't know if it is a system specific issue or not. Any help in rectifying or understanding this error would be greatly appreciated.
> Thanks and Regards
> Hemanth
> --
> Hemanth H 18310019
> Research Scholar
> IIT Gandhinagar

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