From owner-chemistry@ccl.net Tue Oct 4 06:19:01 2011 From: "Eli Lam elizabeth.shlam-x-gmail.com" To: CCL Subject: CCL: About Dalton2011 Message-Id: <-45572-111004061832-30533-y61vv+pQ8sfQ2u9ulwMnXw(_)server.ccl.net> X-Original-From: "Eli Lam" Date: Tue, 4 Oct 2011 06:18:30 -0400 Sent to CCL by: "Eli Lam" [elizabeth.shlam]^[gmail.com] Dear CCLers, I'm new to the DALTON2011 program. However, after installation and all tests passed, when I try to submit a test job, it gives the following error message: > ../../bin/dalton.x energy_nosymm energy_nosymm DALTON: default work memory size used. Work memory size (LMWORK+2): 131000002 = 999.45 megabytes; node 0 0: Directories for basis set searches: ./: MPI node no.: 0 Reason: ERROR (GPOPEN) TRYING TO OPEN A NON-EXISTING FILE AS OLD Node 0: --- SEVERE ERROR, PROGRAM WILL BE ABORTED --- ERROR (GPOPEN) TRYING TO OPEN A NON-EXISTING FILE AS OLD STOP 100 Backtrace for this error: + function mpi_bcast_ (0x80BF9E5) + function quit_ (0x9A01347) + function gpopen_ (0x9A08E45) + function dalton_gnrlinp_ (0x80C4307) + in the main program from file dalton.F + /lib/libc.so.6(__libc_start_main+0xf3) [0x4aa89413] Would you please advise for any solutions? Thanks so much! Regards, Eli