Subject: About Dalton

From: "GAO Yi" <[email-masked]>
Date: Sat, 28 Dec 2002 23:02:06 +0800 (HKT)

Dear Cclers,

I'm a rookie for the Dalton program. When I trys an example, the dalton
doesn't read the input file. Would you kindly tell me why? Thanks.

Gao Yi

There are four files:
energy_nosymm.check  energy_nosymm.info
energy_nosymm.dal    energy_nosymm.mol

The input:
> dalton.x energy_nosymm energy_nosymm

The output:

*** ERROR (GPOPEN) TRYING TO OPEN A NON-EXISTING OLD FILE
 *** A FILE HAS BEEN SPECIFIED TO BE OLD, BUT THE FILE
 *** DOES NOT EXIST

 ### Please report the problem to [email-masked]

 Offending UNIT number:     4
  Name of offending file (if any): DALTON.INP

 QTRACE dump of internal trace stack

 ====================
      level    module
 ====================
          1    GNRLIN
 ====================

  --- SEVERE ERROR, PROGRAM WILL BE ABORTED ---
 *** ERROR (GPOPEN) TRYING TO OPEN A NON_EXISTING FILE AS OLD
STOP 100 statement executed