[gmx-users] About running gromacs in GPU

vidhya sankar scvsankar_agr at yahoo.com
Sat Aug 10 17:50:53 CEST 2013

Dear Justin Thank you for your previoue reply

I have prepared a   .tpr file to run it run Successfully in CPU 

But when i use the Same .tpr files to run in GPU , It have not run successfully

What is  reason ?

What Command Should I give When I run .tpr file in GPU

I  Hope it may be 

mdrun -s input.tpr -testverlet

Should i add any more flag ? 

Also I have different  rvdw and Coulomb Cut-offs 
rlist        = 0.9        
rcoulomb    = 0.9     
rvdw        = 1.4       

The following is error Message 

The VdW and Coulomb cut-offs are different, whereas the Verlet scheme only supports equal cut-offs
For more information and tips for troubleshooting, please check the GROMACS

Thanks in ADVANCE

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