[molpro-user] molpro on strike
Holger Naundorf
naundorf at chemie.fu-berlin.de
Fri Jun 23 10:21:39 BST 2006
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
More information about the Molpro-user
mailing list