find useful to paste
in your reply; in this particular case seeing the hardware detection
report would have helped a bit.
Cheers,
--
Szilárd
On Fri, Feb 16, 2018 at 1:55 PM, Osmany Guirola Cruz
<osmany.guir...@biocomp.cigb.edu.cu> wrote:
> This is the output with gr
roblem with running
gromacs.2018Date: Thu, 15 Feb 2018 18:23:05 +0100
Please provide a full log file output.--Szilárd
On Thu, Feb 15, 2018 at 6:11 PM, Osmany Guirola Cruz<osmany.guirola@bio
comp.cigb.edu.cu> wrote:
> Hi
>
> I am having problems running mdrun command compiled with GPU
> s
.szil...@gmail.com>
wrote:
> Please provide a full log file output.
> --
> Szilárd
>
>
> On Thu, Feb 15, 2018 at 6:11 PM, Osmany Guirola Cruz
> <osmany.guir...@biocomp.cigb.edu.cu> wrote:
> > Hi
> >
> > I am having problems running mdrun command comp
Hi
I am having problems running mdrun command compiled with GPU
support(cuda 9.0).
here is the output of the mdrun command
Using 1 MPI thread
Using 4 OpenMP threads
1 compatible GPU is present, with ID 0
1 GPU auto-selected for this run.
Mapping of GPU ID to the 1 PP rank in
