<p dir="ltr"><br>
On May 29, 2014 4:53 PM, "Vedran Miletić" <<a href="mailto:rivanvx@gmail.com">rivanvx@gmail.com</a>> wrote:<br>
><br>
> 2014-05-29 16:36 GMT+02:00 Anders Gabrielsson <<a href="mailto:andgab@kth.se">andgab@kth.se</a>>:<br>
> > You'll probably have to supply -npernode/-ppn too so that your mpirun<br>
> > doesn't put all MPI ranks on the same host.<br>
> ><br>
> > /Anders<br>
> ><br>
> > On 29 May 2014, at 13:17, Vedran Miletić <<a href="mailto:rivanvx@gmail.com">rivanvx@gmail.com</a>> wrote:<br>
> ><br>
> > Fatal error:<br>
> > Incorrect launch configuration: mismatching number of PP MPI processes<br>
> > and GPUs per node.<br>
> > mdrun_mpi was started with 5 PP MPI processes per node, but you provided 1<br>
> > GPU.<br>
><br>
> Hi Anders,<br>
><br>
> thanks for your response. Weirdly enough, mpirun actually doesn't run<br>
> processes all on one node, it distributes them as equally as possible,<br>
> going around your hostfile in a round-robin fashion. (I verified this<br>
> by running hostname.)</p>
<p dir="ltr">What were the hostnames? There is some logic that tries to reconstruct the nodes from hostnames as supplied by MPI, but GROMACS assumes the form</p>
<p dir="ltr">yourmachinename043</p>
<p dir="ltr">with the digits varying across nodes. So far, this has worked, since sysadmins are orderly types... IIRC we use a hash in GROMACS 5, or at least we talked about it!</p>
<p dir="ltr">Mark</p>
<p dir="ltr">> However, it seems that for some reason Gromacs assumes mpirun does run<br>
> 5 processes on a single node. Regardless, i tried<br>
><br>
> mpirun -np 5 -npernode 1 -hostfile ... mdrun_mpi -v -deffnm ... -gpu_id 0<br>
><br>
> but it produces the same error. Anything else I could try?<br>
><br>
> Regards,<br>
> Vedran<br>
> --<br>
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