mpi job runs fine when submitted via scheduler, but fails when run by hand

Faraz H fa... at
Fri Jul 21 13:56:06 UTC 2017

I have a simple job submission script which runs fine. However, when I try 
and run the same script by hand ( outside the scheduler), it fails with the 
error below. By hand I mean that I take the nodes offline, login to the 
first node, load the cp2k/open mpi modules, keep same machine file, then 
run the command:

mpirun -machinefile machines -np 40 --mca btl openib,self cp2k.popt test.inp

mpirun was unable to find the specified executable file, and therefore
did not launch the job.  This error was first reported for process
rank 20; it may have occurred for other processes as well.

NOTE: A common cause for this error is misspelling a mpirun command
      line parameter option (remember that mpirun interprets the first
      unrecognized command line token as the executable).

Node:       lustwzb5
Executable: /gpfs/app/software/cp2k/3.0.0/exe/Linux_x86-64-intel/cp2k.popt

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