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Re^5: Low CPU Usage for PC GAMESS 7.1.F on Win XP Pro x64

Paride Papadia
paride.papadia@unisalento.it

Hello,
this is the command line:
pcgamess -v -f -b MYBASIS -i acacdmso.inp -o acacdmso.out .\wk1 .\wk2 .\wk3 .\wk4 .\wk5 .\wk6 .\wk7 .\wk8 -np 8 -ncores 4 -nthreads 4
the input file without the data:
$SYSTEM MEMORY=214748320 $END
!$CONTRL RUNTYP=ENERGY SCFTYP=RHF COORD=CART  $END
$CONTRL RUNTYP=OPTIMIZE MAXIT=400 DFTTYP=B3LYP1 ECP=READ $END
$CONTRL MOLPLT=.TRUE. PLTORB=.TRUE. $END
$SYSTEM TIMLIM=100000 MWORDS=20 $END
$BASIS EXTFIL=.true. GBASIS=MYBASIS $END
$scf dirscf=.t. DIIS=.T. SOSCF=.F. FDIFF=.FALSE. $end
$STATP NSTEP=300 $END
$SMP HTTNP=4 HTTPAR=.T. $END
$P2P P2P=.T. XDLB=.T. MXBUF=2048 $END
$ECP
O-ECP NONE
C-ECP NONE
 PT-ECP GEN     60     4........

while attached you will find the output file.
Thanks,
Paride



On Fri Nov 27 '09 2:18am, Alex Granovsky wrote
----------------------------------------------
>Hi,

>>2. When I launch PCGAMESS with -np >4, I get an output file that is truncated  during the reading of the input file. I am unable to get any error message. Should I activate some debugging options?
>>Best regards,
>>Paride

>Yes you can activate partial debugging - just add -v option to your command line.

>It would be also helpful to look onto your input and (incomplete) output files.

>regards,
>Alex Granovsky

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[ acacdmso.out ] Calculation output

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