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

[Israel Estrada]

________________________________
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.


(http://www.gromacs.org/Documentation/Tutorials/GROMACS_USA_Workshop_and_Conference_2013/An_introduction_to_replica_exchange_simulations%3A_Mark_Abraham%2C_Session_1B)


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!

-Israel