On 4/04/2012 7:14 PM, Huaichen(Bobby) Zhang wrote:
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.
Maybe. Standard installation procedure is to suffix mdrun with _mpi so
that you and everyone else can be really sure it's not a non-MPI
executable (which could be successfully run with mpirun, but which does
not run in parallel)
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?
(Some of) your execution hosts don't have an mdrun executable in their
PATH, or at least don't when you use more than one node. Fixing that is
a matter of system configuration, rather than GROMACS configuration. If
other parallel software runs, then it seems their executables are in the
PATH.
Mark
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