Alain Igban
apigban@mymail.mapua.edu.ph
I was surprised to see that:
1. MSI Afterburner and GPU-Z reports 0% use of the GPU (GTX550 Ti), while
2. Speedfan reports a high temperature which is indicative of GPU utilization.
My question is: How do I make use of the GPU, because I see the following in my output file
Loaded CUDA/Firefly interface version 0x00010004
Dev # Name DP capable Async Timeout Emulated Useable
0 GeForce GTX 550 Yes Yes No No Yes
And my input file looks like this (gathered from the output file):
ECHO OF THE FIRST FEW INPUT CARDS -
INPUT CARD>!straight Chain prelim with bonds
INPUT CARD> $BASIS GBASIS=N31 NGAUSS=6 NDFUNC=1 $END
INPUT CARD> $CONTRL SCFTYP=UHF RUNTYP=OPTIMIZE NOSYM=1 MULT=2 $END
INPUT CARD> $STATPT OPTTOL=0.0005 NSTEP=250 $END
INPUT CARD> $SCF dirscf=.t. diis=.t. damp=.t. $END
INPUT CARD> $system mwords=190 timlim=9999999 $end
INPUT CARD> $smp csmtx=1 cuda=.t. tpool=64 $end
INPUT CARD> $cuda cuflgs=1 events=1 nocpu=1 $end
INPUT CARD> $cuda cumask=1 cuaff=5 $end
INPUT CARD> $intgrl qfmm=.t. $end
INPUT CARD> $system mklnp=2 np=1 $end
Please help me Firefly community. I am an undergraduate student and still have lots to learn on Gamess.