Saving orbitals to run with MRCC

[bkw...@umsystem.edu]

Dear Molpro users

Is there a way/route to run the required hartree-fock computation, save the orbitals, and restart those with MRCC? The cluster I'm running on overwrites the -n 1 processor command and attempts to assign a lot of RAM per processor.  

Brad 

[Peterson, Kirk]

Brad,

 

are you thinking of getting orbitals into the standalone MRCC program or just saving the Molpro orbitals to some record on molpro file 2 and then restarting them in a 2^nd job that only involves computing the integrals and jumping to mrcc (all within a molpro input file)?

 

-Kirk

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