[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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