Ceilidh ... Re^3: Want to increase memory

Firefly and PC GAMESS-related discussion club

Learn how to ask questions correctly

We are NATO-free zone

Re^3: Want to increase memory

Alex Granovsky
gran@classic.chem.msu.su

Hi,

with current Windows-based Firefly versions, you are limited by ca. 268 MWords of memory per each Firefly's process.

Regards,
Alex Granovsky

On Sat Mar 3 '12 5:54am, kaushik hatua wrote
--------------------------------------------
>On Fri Mar 2 '12 3:06pm, Alex Granovsky wrote
>---------------------------------------------
>>Hi,

>>could you please copy and paste here the first 200 lines of the output
>>file. This would be helpful to identify problem.

>>Kind regards,
>>Alex Granovsky
>>
>>
>>On Thu Mar 1 '12 6:20pm, kaushik hatua wrote
>>--------------------------------------------
>>>i use windows 64 bit 2008 server edition with 20GB RAM and 300 GB hard disk. i cant set MWORDS not greater than 100. i need some clue.
>
>
> ******************************************************
> *Firefly (PC GAMESS) version 7.1.G, build number 5618*
> * Compiled on Thursday, 26-11-2009, 20:43:46 *
> *Code development and Intel/AMD specific optimization*
> * Copyright (c) 1994, 2009 by Alex A. Granovsky, *
> * Firefly Project, Moscow, Russia. *
> * Some parts of this program include code due to *
> * work of Jim Kress, Peter Burger, and Robert Ponec. *
> ******************************************************
> * Firefly Project homepage: *
> * http://classic.chem.msu.su/gran/firefly/index.html http://classic.chem.msu.su/gran/firefly/index.html http://classic.chem.msu.su/gran/firefly/index.html http://classic.chem.msu.su/gran/firefly/index.html http://classic.chem.msu.su/gran/firefly/index.html http://classic.chem.msu.su/gran/firefly/index.html http://classic.chem.msu.su/gran/firefly/index.html http://classic.chem.msu.su/gran/firefly/index.html *
> * e-mail: *
> * gran@classic.chem.msu.su *
> * This program may not be redistributed without *
> * the specific, written permission of its developers.*
> ******************************************************

> ******************************************************
> * PARTIALLY BASED ON GAMESS (US) VERSION 6 JUN 1999, *
> * GAMESS (US) VERSIONS 6 SEP 2001 AND 12 DEC 2003 *
> * FROM IOWA STATE UNIVERSITY *
> * M.W.SCHMIDT, K.K.BALDRIDGE, J.A.BOATZ, S.T.ELBERT, *
> * M.S.GORDON, J.H.JENSEN, S.KOSEKI, N.MATSUNAGA, *
> * K.A.NGUYEN, S.J.SU, T.L.WINDUS, *
> * TOGETHER WITH M.DUPUIS, J.A.MONTGOMERY *
> * J.COMPUT.CHEM. 14, 1347-1363(1993) *
> ******************************************************
>
>
> Core i7 / Win32 Firefly version running under Windows NT
> Running on Intel CPU: Brand ID 0, Family 6, Model 26, Stepping 5
> CPU Brand String : Intel(R) Xeon(R) CPU E5506 @ 2.13GHz
> CPU Features : CMOV, MMX, SSE, SSE2, SSE3, SSSE3, SSE4.1, SSE4.2, HTT, MWAIT, EM64T
> Data cache size : L1 32 KB, L2 256 KB, L3 4096 KB
> max # of cores/package : 8
> max # of threads/package : 16
> max cache sharing level : 16
> actual # of cores/package : 4
> actual # of threads/package : 4
> actual # of threads/core : 1
> Operating System successfully passed SSE support test.
>
>
> PARALLEL VERSION (UNIFIED) RUNNING IN SERIAL MODE USING SINGLE PROCESS
>
>
> WARNING! YOU ARE USING OUTDATED VERSION OF THE FIREFLY!
> PLEASE CHECK FIREFLY HOMEPAGE FOR INFORMATION ON UPDATES!

> EXECUTION OF FIREFLY BEGUN 10:17:43 LT 24-FEB-2012

> ECHO OF THE FIRST FEW INPUT CARDS -
> INPUT CARD>! ================================================================
> INPUT CARD>! Input file for FireFly
> INPUT CARD>! ================================================================
> INPUT CARD> $SYSTEM MWORDS=300 $END
> INPUT CARD> $CONTRL RUNTYP=FField NOSYM=1 $END
> INPUT CARD> $CONTRL SCFTYP=RHF $END
> INPUT CARD> $CONTRL MAXIT=130 $END
> INPUT CARD> $FFCALC EFIELD=0.003 IAXIS=3 $END
> INPUT CARD> $CONTRL MPLEVL=2 $END
> INPUT CARD> $CONTRL ICHARG=0 MULT=1 $END
> INPUT CARD> $BASIS GBASIS=ACCT EXTFIL=.T. $END
> INPUT CARD> $DATA
> INPUT CARD>Molecule specification
> INPUT CARD>Dnh 2
> INPUT CARD>
> INPUT CARD>H 1.000000 -0.920980 1.262221 1.815237
> INPUT CARD>C 6.000000 0.000000 0.721883 1.608695
> INPUT CARD>Be 4.000000 0.000000 0.000000 0.000000
> INPUT CARD> $END
> 300000000 WORDS OF MEMORY UNAVAILABLE

> CPU TIME: STEP = 0.00 , TOTAL = 0.2 SECONDS ( 0.0 MIN)
> WALL CLOCK TIME: STEP = 0.00 , TOTAL = 0.0 SECONDS ( 0.0 MIN)
> CPU UTILIZATION: STEP = 0.00%, TOTAL = 5002.85%
>
>
> WARNING! YOU ARE USING OUTDATED VERSION OF THE FIREFLY!
> PLEASE CHECK FIREFLY HOMEPAGE FOR INFORMATION ON UPDATES!

> EXECUTION OF FIREFLY TERMINATED ABNORMALLY AT 10:17:43 LT 24-FEB-2012
>

[ This message was edited on Sat Mar 3 '12 at 1:12pm by the author ]

Sat Mar 3 '12 1:12pm

This message read 963 times