What if you add the cmd
pwd
in your script before it starts the program?
This will verify if you are in the Matrix or consensual silicon. :-)
Bill
On 6/24/19 8:36 PM, Marcela Madrid wrote:
> 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 - 21:30:02 PDT
