CCL: GAMESS: 'PWRT: NODE 0 ENCOUNTERED I/O ERROR WRITING UNIT 24' Error
- From: Aleksey Kuznetsov <AlexKuznetsov2007,,yandex.ru>
- Subject: CCL: GAMESS: 'PWRT: NODE 0 ENCOUNTERED I/O ERROR WRITING
UNIT 24' Error
- Date: Sat, 25 Apr 2009 06:26:50 +0400
Sent to CCL by: Aleksey Kuznetsov [AlexKuznetsov2007||yandex.ru]
Dear CCL Users,
I try to perform single-point calculation using GAMESS on polyoxometalate system
containing Ru, W, Si, O and H atoms; here is the beginning of my input file:
$contrl scftyp=rhf runtyp=morokuma icharg=-4 mult=1 coord=cart pp=sbkjc
units=angs $end
$system timlim=2700 mwords=1000 $end
$basis gbasis=SBKJC $end
$guess guess=huckel $end
$scf conv=6 $end
$morokm iatm(1)=14 $end
$data
Ru2H2O2-POM, 1A
. . . .
The calculation terminates after a few minutes at the step of 2e integrals
calculation, giving the following error message:
PWRT: NODE 0 ENCOUNTERED I/O ERROR WRITING UNIT 24
EXECUTION OF GAMESS TERMINATED -ABNORMALLY- AT Fri Apr 24 14:27:50 2009
1193199 WORDS OF DYNAMIC MEMORY USED
ON NODE 0, STEP CPU TIME = 306.06 TOTAL CPU TIME = 306.1 ( 5.1 MIN)
TOTAL WALL CLOCK TIME= 588.0 SECONDS, CPU UTILIZATION IS 52.06%
A fatal error occurred on DDI Process 0.
ddikick.x: application process 0 quit unexpectedly.
ddikick.x: Sending kill signal to DDI processes.
ddikick.x: Execution terminated due to error(s).
Can anybody please explain me what the reason of this error could be and how to
cope with it? I use GAMESS 2006 at Linux machine.
Thank you very much!
With best regards,
Aleksey.
-------------------------------------------
Dr. Aleksey Kuznetsov
Cherry L. Emerson Center for Scientific Computation
Emory University
1515 Dickey Drive
Atlanta, GA 30322
USA
Phone: (404)727-2381
Email: akuznets,+,euch4e.chem.emory.edu
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