[gmx-users] gpu cpu use

Mario Andres Rodriguez Pineda mandres at iq.usp.br
Wed Mar 20 15:51:23 CET 2019


Hi everybody
I have acces to one computer with 2 GPU and 2 CPU. Can i use both GPU and
both CPU in a simulation?
Each cCPU have 10 cores and 20 threads
I'm trying whith this command:
mpirun -np 4 gmx mdrun -ntomp 6 -gpu_id 00
but i don't undesrtand these numbers and i can use it....

Thanks for your help .

-- 
*MSc. MARIO ANDRÉS RODRÍGUEZ PINEDA*
*Estudiante Doctorado en Biotecnología*

*UNAL- MEDELLÍN/ IQ- USP*

*Grupo de Pesquisa em Ressonância Magnética Nuclear de Biomoléculas *
*Av. Prof. Lineu Prestes 748, Sao Paulo SP, 05508-000, Tel: + 55 11 3091
1475*


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