From owner-chemistry@ccl.net Thu Jan 21 22:06:01 2016
From: "Prasenjit Seal seal.prasenjit ~ gmail.com" <owner-chemistry**server.ccl.net>
To: CCL
Subject: CCL: Problem in running QChem
Message-Id: <-51974-160121220437-29360-8teP1pLOtMmKbNL5aCd0IA**server.ccl.net>
X-Original-From: "Prasenjit  Seal" <seal.prasenjit..gmail.com>
Date: Thu, 21 Jan 2016 22:04:13 -0500


Sent to CCL by: "Prasenjit  Seal" [seal.prasenjit[]gmail.com]
Hi,

I am a beginner of QChem program. 

I have a problem (that might be simple to many users) while running this 
code. Whenever I try to run a job at our cluster, this is the error I 
receive every time.

***************************************************************
Problem with processed rem input line:
METHOD B3LYP

 Q-Chem fatal error occurred in module 
/short/z00/cyl900/qchem/trunk/qparser/read_rem.C, line 288:

 Illegal rem input in read_rem
***************************************************************

I changed the JOBTYPE from SP to Optimization to Frequency, changed the 
method even just to see whether they have some problem with the 
combinations I provided. But every time, the same things happen. This is 
really very disturbing.

Any kind of help or idea will highly be appreciated.

For kind convenience, given below is the $rem section


************************************************
$rem
   BASIS  =  6-31G*
   GUI  =  2
   JOB_TYPE  =  SP
   METHOD  =  B3LYP
   SCF_CONVERGENCE  =  8
   SCF_MAX_CYCLES  =  200
   XC_GRID  =  1
$end
************************************************


Thanks and best regards,
Prasenjit