[molpro-user] MRCC and Molpro

[Kirk Peterson]

Do you have the parallel version installed?  MRCC is not compatible with a mpp build of Molpro. Can
you install the serial executables?

In regards to where you put that logical link, it just has to go in the same directory as molpro.exe

-Kirk

On May 8, 2010, at 10:19 AM, Pete Biggs wrote:

> 
>> 
>> try putting a logical link in molpro's bin directory that points to the dmrcc executable.
>> 
> 
> Yes, the instructions keep talking about a molpro directory - on my
> system all the executables are in /usr/local/bin and there's no specific
> molpro bin directory - there's also a molpro directory
> under /usr/local/lib/, is that the one you mean?
> 
> Nevertheless, I had already tried putting links to all the MRCC
> executables (include dmrcc) into both /usr/local/bin and the one
> under /usr/local/lib - I still get the same error ("Module MRCC not
> available").
> 
> P.
> 
>> regards,
>> 
>> Kirk
>> 
>> On May 7, 2010, at 9:53 AM, Pete Biggs wrote:
>> 
>>> 
>>> I'm trying to get MRCC working with Molpro and am not getting very far.
>>> The Molpro manual doesn't seem to match up with anything I have either
>>> for Molpro or MRCC!
>>> 
>>> The Molpro license I've got is a binary only one and I can't see anyway
>>> of telling Molpro where the MRCC executables are.  I've tried putting
>>> the directory in $PATH, and tried looking in any of the .registry files
>>> to see if there is anything sensible.
>>> 
>>> Any hints anyone can give me?
>>> 
>>> Thanks
>>> 
>>> Pete
>>> 
>>> -- 
>>> Pete Biggs                              pete.biggs @ chem.ox.ac.uk
>>> Office: 01865 275490
>>> 
>>> 
>>> _______________________________________________
>>> Molpro-user mailing list
>>> Molpro-user at molpro.net
>>> http://www.molpro.net/mailman/listinfo/molpro-user
>> 
> -- 
> Pete Biggs                              pete.biggs @ chem.ox.ac.uk
> Office: 01865 275490
> 
>