AMBER Archive (2009)

Subject: [AMBER] reg.parallel run error

From: balaji nagarajan (balaji_sethu_at_hotmail.com)
Date: Thu Jan 22 2009 - 12:41:25 CST

Dear Ross .,

thank you for your previous mail
i got your sugesstions

when i gave the run it is giving the following error
i could not get it
could you please let me know
---------------------------------------------------------------------------------------------------
ERROR !
 

mpirun -np 4 $AMBERHOME/exe/sander -O -i polyAT_wat_min2.in -o polyAT_wat_min2.out -p polyAT_wat.prmtop -c polyAT_wat_min1.rst -r polyAT_wat_min2.rst
At line 2268 of file _ew_setup.f
Fortran runtime error: Bad value during floating point read
At line 2268 of file _ew_setup.f
Fortran runtime error: Bad value during floating point read
-----------------------------------------------------------------------------
It seems that [at least] one of the 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.
-----------------------------------------------------------------------------

regards
balaji
UOM

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