AMBER Archive (2004)

Subject: AMBER: amber/pmemd with mpiexec

From: Lubos Vrbka (shnek_at_tiscali.cz)
Date: Sat Apr 10 2004 - 11:50:30 CDT

hi guys,

is anyone using amber with mpich, PBS queuing system and mpiexec?

it seems for me that mpiexec is adding one parameter to the end of
command line and sander/pmemd thinks that this parameter (-execer_id)
belongs to its own parameters and immediately exits with error (unknown
flag).

is there any way how to avoid this / force sander/pmemd to ignore
unknown flags on command line?

is it possible that this is just misconfiguration on my side? (i can see
these problems on sander7 with mpich 1.2.5 and mpiexec 0.74 and on pmemd
3.1 with mpich 1.2.5.2 and mpiexec 0.75). shmem versions work fine.
there is also no problem when mpirun is used.

i'd like to use mpiexec mainly because it allows for more transparent
handling of jobs in the pbs queuing system...

regards, 

-- 
Lubos
_@_"
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu