Dear GROMACS users, I'm a new user of GROMACS. The command "mpirun -np 8 mdrun" is working well in a node with 8 processors.
Now I want to run GROMACS parallel on more processors, i.e., multiple nodes. I tried to use "mpirun -n 16 -host node018,node022 mdrun" (node018 and node022 each has 8 processors), it gives the following message: " mpirun was unable to launch the specified application as it could not find an executable: Executable: mdrun Node: node018 while attempting to start process rank 0. " I also tried to use "mpirun -hostfile hostlist mdrun" (hostlist file as follows), the same message as above appeared. " node018 slots=8 node022 slots=8 " While the same commands works well for other softwares. Have anyone encountered similar problem? What is your solution? Thanks in advance! -- Huaichen(Bobby) ZHANG +31 648478172 MSc Sustainable Energy Engineering Royal Institute of Technology (Sweden) Eindhoven University of Technology (Netherland)
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