[gmx-users] mpirun on lam again

[Y U Sasidhar]

I hope at least my syntax is correct; Pl let me know how I should
correct this.

command:

mpirun -v -c 16  -s n0 mdrun_mpi -- -v -s full.tpr -e full.edr -o
full.trr -
c after_full.gro -g full.log >& full.job &

results in:

5146 mdrun_mpi running on n0 (o)
3245 mdrun_mpi running on n1
mdrun_mpi: error while loading shared libraries: libmd_mpi.so.2: cannot
open
 shared object file: No such file or directory
2909 mdrun_mpi running on n2
2905 mdrun_mpi running on n3
mdrun_mpi: error while loading shared libraries: libmd_mpi.so.2: cannot
open
 shared object file: No such file or directory
2897 mdrun_mpi running on n4
mdrun_mpi: error while loading shared libraries: libmd_mpi.so.2: cannot
open
 shared object file: No such file or directory
2922 mdrun_mpi running on n5
mdrun_mpi: error while loading shared libraries: libmd_mpi.so.2: cannot
open
 shared object file: No such file or directory
2898 mdrun_mpi running on n6
2887 mdrun_mpi running on n7
2883 mdrun_mpi running on n8
mdrun_mpi: error while loading shared libraries: libmd_mpi.so.2: cannot
open
 shared object file: No such file or directory
mdrun_mpi: error while loading shared libraries: libmd_mpi.so.2: cannot
open
 shared object file: No such file or directory
mdrun_mpi: error while loading shared libraries: libmd_mpi.so.2: cannot
open
 shared object file: No such file or directory
1067 mdrun_mpi running on n9
mdrun_mpi: error while loading shared libraries: libmd_mpi.so.2: cannot
open
 shared object file: No such file or directory
2683 mdrun_mpi running on n10
mdrun_mpi: error while loading shared libraries: libmd_mpi.so.2: cannot
open
 shared object file: No such file or directory
2677 mdrun_mpi running on n11
mdrun_mpi: error while loading shared libraries: libmd_mpi.so.2: cannot
open
 shared object file: No such file or directory
mdrun_mpi: error while loading shared libraries: libmd_mpi.so.2: cannot
open
 shared object file: No such file or directory
2679 mdrun_mpi running on n12
mdrun_mpi: error while loading shared libraries: libmd_mpi.so.2: cannot
open
 shared object file: No such file or directory
2708 mdrun_mpi running on n13
mdrun_mpi: error while loading shared libraries: libmd_mpi.so.2: cannot
open
 shared object file: No such file or directory
2672 mdrun_mpi running on n14
2674 mdrun_mpi running on n15
----------------------------------------------------------------------------
-
It seems that [at least] one of processes that was started with mpirun
did not invoke MPI_INIT before quitting (it is possible that more than
one process did not invoke MPI_INIT -- mpirun was only notified of the
first one, which was on node n0).

mpirun can *only* be used with MPI programs (i.e., programs that
invoke MPI_INIT and MPI_FINALIZE).  You can use the "lamexec" program
to run non-MPI programs over the lambooted nodes.
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