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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.htmlhttp://classic.chem.msu.su/gran/firefly/index.htmlhttp://classic.chem.msu.su/gran/firefly/index.htmlhttp://classic.chem.msu.su/gran/firefly/index.htmlhttp://classic.chem.msu.su/gran/firefly/index.htmlhttp://classic.chem.msu.su/gran/firefly/index.htmlhttp://classic.chem.msu.su/gran/firefly/index.htmlhttp://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 ]


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