$ mpirun -np 2 (pwd; $AMBERHOME/bin/pmemd.cuda.MPI -ng 2 -groupfile group ...)
If running from cmd line, then I'd try the above.
Also, if this doesn't solve it, best to paste your whole cmd line for people who know better to see.
Bill
On 6/24/19 9:01 PM, Bill Ross wrote:
> 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
>>
>>
>>
>> _______________________________________________
>> AMBER mailing list
>> AMBER.ambermd.org
>> http://lists.ambermd.org/mailman/listinfo/amber
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Received on Mon Jun 24 2019 - 21:30:02 PDT
