[gmx-users] Fw: Attempting REMD tutorial by Mark Abraham

Israel Estrada israele at cpp.edu
Thu May 30 06:52:35 CEST 2019

From: Israel Estrada
Sent: Wednesday, May 29, 2019 3:15 PM
To: gromacs.org_gmx-users at maillist.sys.kth.se
Subject: Attempting REMD tutorial by Mark Abraham

Hi all,

I'm attempting to follow Mark Abraham's introduction to REMD.


I'm currently attempting and failing to run REMD equilibriations in stage 1, using the command:

mpirun -np 4 mdrun_mpi -v -multidir equil[0123]

However, I'm receiving an error "mpirun: cannot start mdrun_mpi on n0 (o): No such file or directory"

Any guidance would be very much appreciated. I'm certain it's a fairly simple fix, I'm just not well versed in this yet.

Thank you!


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