Hello I have compiled Amber 18 with cuda/9.2
When I try to run REMD on GPUs I am getting the following error message:
> Running multipmemd version of pmemd Amber18
> Total processors = 2
> Number of groups = 2
>
>
> Unit 5 Error on OPEN: remd7.in
>
> Unit 5 Error on OPEN: remd7.in
The command that I am using on 2 P100 processor is:
mpirun -np 2 $AMBERHOME/bin/pmemd.cuda.MPI -ng 2 -groupfile group
The same example runs on CPUs. What can be the problem? The file remd7.in exists in the directory
and the same example runs on the CPUs.
thanks,
Marcela
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Received on Mon Jun 24 2019 - 21:00:02 PDT
