On Wed, Apr 24, 2019, ATUL KUMAR wrote:
>Keep DNA fixed with weak restraints
>60.0
Aside: these are actually very strong restraints, not weak ones.
>
>cudaMalloc GpuBuffer::Allocate failed out of memory
Run your job on the CPU version of pmemd: the CPU version generally
gives more helpful error messages. You don't say how big your system
is: it could really just be that you don't have enough memory. Hard to
say without knowin more.
...dac
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Apr 24 2019 - 05:00:03 PDT
