Subject: CCL:to the GAMESS users

From: "albena" <albena<<at>>shu-bg.net>
Date: Wed, 3 Sep 2003 15:59:35 +0300

Dear CCLers,

When I do HESSIAN job on already optimized geometry I need at least 6 days in order to finish calculations. Unfortunately, it is quite rare to have this time (because of many reasons) so my calculations are often interrupted. Is there any possibility to accelerate calculations (without changing hardware resources), to punch any information within the working (interrupted!) files at the next job or to calculate on some shared server? 

There is an input groups as an example (just in case):

 $CONTRL SCFTYP=RHF MPLEVL=2 RUNTYP=HESSIAN COORD=ZMT NZVAR=60 $END
 $SYSTEM TIMLIM=10000 MEMORY=9000000 $END
 $BASIS  GBASIS=N31 NGAUSS=6 NDFUNC=1 $END
 $GUESS GUESS=HUCKEL $END
 $FORCE METHOD=NUMERIC NVIB=1 DECOMP=.TRUE. PURIFY=.TRUE.
TEMP(1)=363,373,383,393,403,413,423,433,443,453 $END
 $STATPT NSTEP=50 $END
 $DATA................
 $END
 $ZMAT   IZMAT(1)=......................
 $END

Thank you in advance.

Best wishes,

Albena Patleeva
University of Shumen
Shumen, Bulgaria, Universitetska 115
Email: a.patleeva<<at>>shu-bg.net