[molpro-user] license error

[Nick Wilson]

You should use the contents of the token file rather than the filename:

-k id=willsd,...... \

Best wishes,
Nick Wilson

Steve Williams wrote:
> 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