[gmx-users] GPU job failed

Albert mailmd2011 at gmail.com
Wed Aug 2 15:00:01 CEST 2017


yes, the normal MD works fine. Even in a CPU based plumed also works.
It seems that this function doesn't support PLumed GPU running?

On 08/02/2017 01:02 PM, Mark Abraham wrote:
> Hi,
>
> My first guess is that the implementation of PLUMED doesn't support this.
> Does a normal non-PLUMED simulation run correctly when called in this
> manner?
>
> Mark




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