Memory deallocation problem with RASSCF, running MOLCAS 6.3

Subject:

if B is 1s22s22p1, what is Li?

Passfield:

Comments:
: Hello, : I am attempting to run the RASSCF Module on a very large number of Ras3 orbitals (60). There is no symmetry imposed on my system. : Upon my first try, I received an error that said that the # of orbitals exceeded the allowed limit. This was the error: : *** : SKICKJ : Too many orbs : > MXPTSOB : N, MXPTSOB 60 35 : Location: lucia_util/skickj : *** : I proceeded to increase the threshold for MXPTSOB to 70 in order to accommodate my calculation. The calculation is now able to run for 8 iterations before it crashes. : I received this error message: : *** : grabit: MOLCASMEM is 4096 : MA failed to release the memory block for further use. : Memory allocation map : --------------------- : FldNam VarTyp ID Length iPos : - - - - - - - - - - - - - - - - - - - - - - - - - : IP_DUM REAL 0 1 30115154 : IP_IDUM INTE 1 1 30115167 : AW REAL 2 1 30115180 : *** : and so on : It also says: : The parameters of the last call to GetMem were: : Name =DENS_M : FldNam=LVEC : VarTyp=INTE : Key =FLUS : Length= 1 : iPos = 46451503 : : Thank you for your assistance. : Dalal