[Wien] question about parallel run

karla at chemie.uni-konstanz.de karla at chemie.uni-konstanz.de
Fri Aug 1 10:11:22 CEST 2003


Dear all,

I have questio about WIEN running in the normal parallel version 
(k-point parallelization). On redhat 7 I had to encrease the sleep and 
delay variables in lapw1para and lapw2para to get a proper run. Altough 
the results now are the same than in the single mode run, I get 10 of all the 
files which get the suffix of the processors (case.dmat,case.dmat,
case.energy,case.scf1,case.scf2, etc) but I only have 8 processors. 
My .machines is:

granularity:1
1:linux4gb:1
1:linux4gb:1
1:linux3gb:1
1:linux3gb:1
1:linux2gb:1
1:linux2gb:1
1:linux1gb:1
1:linux1gb:1

Can I ignor this or does anyone can tell me what is going on there?

Also the testpara1 and testpara2 are showning me that sometimes on of these
computers are used more than twice, but they only have two processors.

Another question: Why is the .machines file like 

granularity:1
1:linux4gb:2
1:linux3gb:2
1:linux2gb:2
1:linux1gb:2

is not running? I thought I am not using MPI but the error message is:

-----------------------------------------------------------------------------
It seems that there is no lamd running on this host, which indicates
that the LAM/MPI runtime environment is not operating.  The LAM/MPI
runtime environment is necessary for the "mpirun" command.

Please run the "lamboot" command the start the LAM/MPI runtime
environment.  See the LAM/MPI documentation for how to invoke
"lamboot" across multiple machines.
-----------------------------------------------------------------------------


Thanks a lot,


				Karla




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