[molpro-user] license error

[Steve Williams]

Thanks, Nick.... this has changed the error message...
I replaced the filename in the molpro script (-k ......  line) with the 
contents of the token file.  I still have the password error message but 
the change is there:

willsd at freesun:~/molpro> molpro h2o_ccsd.com
!LICENCE! Invalid password on licence token 
  1: interrupt(1)
WaitAll: No children or error in wait?
willsd at freesun:~/molpro>


So the contents of my token are being read, but molpro is still not 
happy about a password.  I also tried downloading my token again, and 
adding a ,password=XXXXX field, but the error persists.

Any other suggestions?

Nick Wilson wrote:

>
> 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
>