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.
On Wed Mar 3 '10 4:35pm, Alex Maiorov wrote
>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