[molpro-user] license error
Steve Williams
willsd at appstate.edu
Tue Feb 7 16:56:57 GMT 2006
I have a new trial license for molpro for a sun ultra 20 (single
processor) workstation. I installed from the .rpm downloaded my token.
When I tried to run one of the test jobs, this is what I got:
willsd at freesun:~/molpro> cat h2o_ccsd.com
***,h2o test
memory,1,m !allocate 1 MW dynamic memory
geometry={o;h1,o,r;h2,o,r,h1,theta} !Z-matrix geometry input
basis=vtz !cc-pVTZ basis set
r=1 ang !bond length
theta=104 !bond angle
hf !do scf calculation
text,examples for single-reference correlation treatments
ci !CISD using MRCI code
ci;cepa,1 !cepa-1 using MRCI code
mp2 !Second-order Moeller-Plesset
mp3 !Second and third-order MP
mp4 !Second, third, and fourth-order
MP4(SDTQ)
mp4;notripl !MP4(SDQ)
cisd !CISD using special closed-shell code
ccsd(t) !coupled-cluster CCSD(T)
qci(t) !quadratic configuration
interaction QCISD(T)
bccd(t) !Brueckner CCD(T) calculation
---
willsd at freesun:~/molpro> molpro h2o_ccsd.com
!LICENCE! Password missing on licence token /home/willsd/molpro/token
1: interrupt(1)
WaitAll: No children or error in wait?
willsd at freesun:~/molpro> cat h2o_ccsd.out
MPP nodes nproc
freesun 1
ga_uses_ma=true, calling ma_init with heap size 8010000
determined by size of -G / nprocs
tmp =
/home/willsd/pdir//usr/local/lib/molpro-mpp-Linux-i686-i4-2002.6/molprop_2002_6_i4_amd64_tcgmsg.exe.p
Creating: host=freesun, user=willsd,
file=/usr/local/lib/molpro-mpp-Linux-i686-i4-2002.6/molprop_2002_6_i4_amd64_tcgmsg.exe,
port=32775
I thought that there might be a firewall issue so I added a rule to
iptables to accept traffic at port 32775, but this did not change the
error message. The token is really at /home/willsd/molpro/token. The
error message indicates there is a password problem, so I tried adding a
password=XXXXX string to the token, where XXXXX is the password sent to
me by molpro with my demo license.
Anyone have any suggestions about fixing this? Is there a way to submit
this help request directly to molpro?
Thanks,
Steve Williams
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