CCL: Problem in running QChem
- From: "Prasenjit Seal"
<seal.prasenjit..gmail.com>
- Subject: CCL: Problem in running QChem
- 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