[molpro-user] molpro running on cluster

[Martin Weise]

Hello

I have a question about running molpro on a cluster.
I set up my own script for submitting molpro to the batch system.
So, after submitting molpro I get the following error message:

ARMCI configured for 2 cluster nodes. Network protocol is 'TCP/IP Sockets'.

 MPP nodes  nproc
 icnode65     1
 icnode70     1
 ga_uses_ma=false, calling ma_init with nominal heap.
 GA-space will be limited to   0.0 words (determined by -G option)
!LICENCE! Password missing on licence token
!LICENCE! Password missing on licence token

The .token file has been copied to INSTLIB/.token, so the file
definitly exists, and the sequential version runs perfectly with it.

I submit the job by this command line:

sgempirun $MOLPROP -rc /opt/app/molpro/bin/molpro.rc $INPUTFILE >& $LOGFILE


It seems as the molpro.rc file is not read, as molpro says :

GA-space will be limited to   0.0 words (determined by -G option)

but this is not true, as this is the content of the molpro.rc file:

-G 8000000 # MA memory
-d$HOME/molpro/tmp/$LOGNAME    
-I$HOME/molpro/tmp/$LOGNAME    
-W$HOME/molpro/wfu    
-L/opt/app/molpro/libmpp/:/opt/app/molpro/libmps/    
-x/opt/app/molpro/bin/molprop_2006_1_i8_mpi.exe    
-m7272727    
-K131072    
-B64    
--mpi 
-n2
-o$HOME/molpro/$LOGNAME
--environment MOLPRO_COMPILER=ifort9.


So the question is, why does the error message about the license appears, and 
maybe how do I have to submit a batch job of molpro to the SGE?


Regards
 Martin Weise


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