From: jing liang (jingliang2015_at_gmail.com)
Date: Thu Jun 24 2021 - 14:58:57 CDT
I fetched the NAMD source code from the link:
and followed the BuildInstructions.md. I could build charm++ single node.
Then, I tried to build NAMD:
but I got the error:
In file included from src/ComputePmeCUDAMgr.C:12:
src/CudaPmeSolverUtil.h:11:10: fatal error: rocfft.h: No such file or
do you have any comments about this?
El mié, 23 jun 2021 a las 12:08, jing liang (<jingliang2015_at_gmail.com>)
> I saw a thread on this mailing list about compiling NAMD on AMD GPUs and
> it said that there was a problem with energy conservation. Is there an
> on this? Could the same alpha version be used?
This archive was generated by hypermail 2.1.6 : Fri Dec 31 2021 - 23:17:11 CST