[molpro-user] CCSD(T) memory problem

[sutay at itu.edu.tr]

Dear molpro users,

  i am studying a CCSD(T) computation for a system which is a van der waals
complex including tetracene and iodine molecules with total number of
electrons as 334. I assigned ecp46mwb basis for iodine atom and vdz & avdz
basis sets for H and C respectively to supply the balance.  

  my problem is that the CCSD(T) computation is not being completed each
time i try. I defined 1000 MW memory and using 2 CPUs, so it means
approximately 1000 MW * 2 = 2000 MB = 2 GB disk space and molpro
(vs.2009.1) allocates 2 GB memory for each CPU.

  i should compute the interaction energies for a series of points to
perform a potential energy scan, but the job stops after MP2 is completed
and 24-25 iteration steps are done before CCSD(T) part is completed.

  i need some suggestions to overcome this problem. Maybe, is there any way
to resume the job? or anything else.

  regards
  Berkay
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