SCF error with CHOSCF_DRV non zero return code (molcas7.2)

Subject:

if B is 1s22s22p1, what is Li?

Passfield:

Comments:
: Dear molcas users, : I am doing a SCF calculation following a seward calculation using cholesky decomposition. : i am using molcas7.2. In fact i am using the same input file on a bi-processeurs quad-core SUN x4150 as on did an other platform (IBM cluster of Power6) on which it worked... : The scf has no option, it is just a : &SCF & END input : I get an error having something to do with the cholesky decomposition. : Here is the end of the output.. : Any idea ? : Thank you in advance for any suggestions, : Claire Loison : ---------------- end of the output -------- : : SCF Algorithm: LK Cholesky SCF : The actual AO density is used : Number of density matrices in core 4 : Maximum number of NDDO SCF iterations 200 : Maximum number of HF SCF iterations 200 : Threshold for SCF energy change 0.10E-03 : Threshold for density matrix 0.10E-03 : Threshold for Fock matrix 0.15E-03 : Threshold for linear dependence 0.10E-04 : Threshold at which DIIS is turned on 0.15E+00 : Threshold at which QNR/C2DIIS is turned on 0.15E+00 : Threshold for Norm(delta) (QNR/C2DIIS) 0.20E-04 : DIIS extrapolation of the SCF procedure : All orbitals punched on: SCFORB : Detected guessorb starting orbitals : : SCF iterations: Energy and convergence statistics : Iter Tot. SCF One-electron Two-electron Energy Max Dij or Max Fij DNorm TNorm AccCon Time : Energy Energy Energy Change Delta Norm in Sec. : 1 -614.61979342 -2662.21105858 1129.62878853 0.00E+00 0.14E+00* 0.27E+01* 0.45E+02 0.77E+03 NoneDa 544. : CHOSCF_DRV. Non-zero return code. : --- Stop Module: scf at Wed Mar 11 21:01:16 2009 /rc= 101 (Unknown) --- : Non-zero return code - check program input/output