[gmx-users] g_tune_pme_mpi is not compatible to mdrun_mpi

Ebert Maximilian m.ebert at umontreal.ca
Thu Sep 25 16:09:18 CEST 2014

Dear list,

I tried using g_tune_pme_mpi with the command:

mpirun -np 24 g_tune_pme_mpi -np 24 -s 1ZG4_nvt.tpr -launch

on GROMACS 5.0.1 but I get the following error message:
mpirun was unable to launch the specified application as it could not find an executable:

Executable: mdrun
Node: xxxx

while attempting to start process rank 0.
24 total processes failed to start

Any idea why this is? Shouldn't g_tune_pme_mpi call mdrun_mpi instead?

Thank you very much,


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