[molpro-user] molpro on strike

[Holger Naundorf]

Ok,
I managed to find the culprit (someone filled up /tmp completely  -
which I managed to overlook...). 

Whats molpro doing there anyway? All its workdirs should be in $TMPDIR,
which points to our huge /scratch space...

Anyway, problem solved for the moment.

Regards,
Holger N.

On Fri, 2006-06-23 at 11:21, Holger Naundorf wrote:
> Hi,
> as of today our Molpro2002.6 (never change a running system...:)
> installation decided to go on strike - and as our license is stil valid
> till 2009 I don't know what the cause could be - does 2002.6 have and
> 'end of live' counter and I have finally to upgrade?
> 
> The symptoms are simply:
> 
> Running molpro produces no error messages at all, but just an output
> file with no calculation at all after the input check is passed:
> 
> 
> ----------------------------------
>  MPP nodes  nproc
>  panther.chemie.f    1
>  ga_uses_ma=true, calling ma_init with heap size        8010000
> determined by size of -G / nprocs
>  
>  Primary working directories:   
> /public/panther/scratch/tmp/naundorf.5721
>  Secondary working directories: 
> /public/panther/scratch/tmp/naundorf.5721
>   
>  blaslib=atlas
>  
>  MPP tuning parameters: Latency=    12 Microseconds,   Broadcast speed= 
> 342 MB/sec
>  default implementation of scratch files=df
>  
> 
>  Variables initialized (306), CPU time= 0.01 sec
>  Default parameters read. Elapsed time= 0.01 sec
>  Checking input...
>  Passed
>  
>  Variable memory set to    7272727 words,  buffer space   230000 words
>   
>  
> 
> 
> 
> **********************************************************************************************************************************
>  Variable memory released
> tmp =
> /user/naundorf/pdir//usr/local/lib/molpro-mpp-Linux-i686-i4-2002.6/molprop_2002_6_i4_amd64_tcgmsg.exe.p
>  Creating: host=panther.chemie.fu-berlin.de, user=naundorf,
>           
> file=/usr/local/lib/molpro-mpp-Linux-i686-i4-2002.6/molprop_2002_6_i4_amd64_tcgmsg.exe, port=47196
> 
> ----------------------------------------------------
> 
> Mystified....
> 
> Regards,
> Holger Naundorf
-- 
Dr. Holger Naundorf                      naundorf at chemie.fu-berlin.de
Freie Universität Berlin                 FB Biologie, Chemie,Pharmazie
Institut für Chemie                      Phone (++49)(+30)838-55383