Firefly and PC GAMESS-related discussion club

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Alex Granovsky
gran@classic.chem.msu.su

there are several mistakes here.

First, you are using absolutely wrong command line syntax:

c:\gamesG\firefly.exe >%1.out c:\gamesG\ d:\gamesG\1 -p4gm 10000000 -i %1.inp -o %1.gms -r -f -b -np 2

It will not work nor with WMPI 1.3, nor with nt-mpich-sp (actually, the recommended option).

For nt-mpich-smp the correct syntax would be e.g.:

c:\gamesG\firefly.exe -i %1.inp -o %1.gms -r -f  c:\gamesG\ d:\gamesG\1 -np 2

Second, for standalone system, there is no need to install WMPI
at all. Moreover, this MPI implementation is very old and a bit
buggy. As mentioned in the documentation, in the case of standalone system,
it is way better to use NT-MPICH-SMP.

Regards,
Alex Granovsky


On Wed Mar 3 '10 4:35pm, Alex Maiorov wrote
-------------------------------------------
>Hi, everybody,
>i am trying to execute firefly in parallel mode,
>but i have only:

>"PARALLEL VERSION (UNIFIED) RUNNING IN SERIAL MODE USING SINGLE PROCESS"

>i have read all documentation, installed wmpi_3, started service,
>and renamed nessesary file to mpibind.dll and pcgp2p.dll

>this is my comand line:

>c:\gamesG\firefly.exe >%1.out c:\gamesG\ d:\gamesG\1 -p4gm 10000000 -i %1.inp -o %1.gms -r -f -b -np 2
>
>
>          ******************************************************
>          *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. *

> Intel Core2/ Win32  Firefly version running under Windows NT
> Running on Intel CPU:  Brand ID  0, Family  6, Model  23, Stepping 10
> CPU Brand String    :  Intel(R) Core(TM)2 Duo CPU     E8400  @ 3.00GHz
> CPU Features        :  CMOV, MMX, SSE, SSE2, SSE3, SSSE3, SSE4.1, MWAIT, EM64T
> Data cache size     :  L1 32 KB, L2 6144 KB, L3     0 KB
> max    # of   cores/package :   2
> max    # of threads/package :   2
> max     cache sharing level :   2
> Operating System successfully passed SSE support test.
>
>
> PARALLEL VERSION (UNIFIED) RUNNING IN SERIAL MODE USING SINGLE PROCESS

> EXECUTION OF FIREFLY BEGUN 15:48:35 LT   3-MAR-2010

>            ECHO OF THE FIRST FEW INPUT CARDS -
> INPUT CARD> $p2p p2p=.t. dlb=.t. mxbuf=2048 $end                                          
>
>
>
>
>
>