Pavel Butrimov
butrimv@gmail.com
CPU utilization decreases to 2-3% value on each core some time after running PC GAMESS. This is the moment of UHF SCF calculation, after 1- and 2-electron integrals estimation. Is this normal?
My command line:
pcgamess.exe -i input -o test.out E:\work0 E:\work1 E:\work2 E:\work3 -np 4gm 160000000
Input description:
AMD Phenom / Win32 PC GAMESS version running under Windows NT
Running on AMD CPU : CPU Generation 15, Family 16, Model 4, Stepping 2
CPU Brand String : AMD Phenom(tm) II X4 955 Processor
CPU Features : CMOV, MMX, SSE, SSE2, SSE3, SSE4A, MASSE, MWAIT, AMD64
Data cache size : L1 64 KB, L2 512 KB, L3 6144 KB
max # of cores/package : 4
Operating System successfully passed SSE support test.
$CONTRL SCFTYP=UHF MAXIT=100 MOLPLT=.T. RUNTYP=OPTIMIZE COORD=UNIQUE $END
$SMP CALL64=.T. $END
$SYSTEM AOINTS=DIST TIMLIM=1000000 MWORDS=200 $END
$STATPT NSTEP=5 OPTTOL=1.0E-4 $END
$P2P P2P=.T. DLB=.T. $END
$BASIS GBASIS=N21 NGAUSS=6 $END
$GUESS GUESS=HUCKEL $END
$DATA
Thank you in advance!