Firefly and PC GAMESS-related discussion club

Learn how to ask questions correctly

Alain Igban
apigban@mymail.mapua.edu.ph

>On Tue Jul 19 '11 3:31am, Alain Igban wrote
>-------------------------------------------
>>On Mon Jul 18 '11 7:30pm, Gena wrote
>>------------------------------------
>>>Hello! Firefly supports CUDA only for MP4-type calculations:
>>>http://classic.chem.msu.su/gran/gamess/cuding.htmlhttp://classic.chem.msu.su/gran/gamess/cuding.htmlhttp://classic.chem.msu.su/gran/gamess/cuding.htmlhttp://classic.chem.msu.su/gran/gamess/cuding.htmlhttp://classic.chem.msu.su/gran/gamess/cuding.htmlhttp://classic.chem.msu.su/gran/gamess/cuding.htmlhttp://classic.chem.msu.su/gran/gamess/cuding.htmlhttp://classic.chem.msu.su/gran/gamess/cuding.html

>>>Your job is usual UHF-calculation without perturbation correction. So i believe your GPU wasn't used at all, calculation was done by CPU only.

>>Thank you! I used the input file on the CUDing page as my reference, but still my GPU is not used. Ive no screenshot this time, but i cant seem to find what is wrong in my input file. please help me.
>>
>>
>>
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>> $BASIS gbasis=n311 ngauss=6 npfunc=2 ndfunc=2 diffsp=.t. $END

>> $CONTRL SCFTYP=RHF mplevl=4 RUNTYP=ENERGY icharg=-1 $END

>> $SCF dirscf=1 $END

>> $system mwords=190 timlim=9999999 mklnp=1 np=2 async=0 $end

>> $smp csmtx=1 cuda=.t. tpool=64 $end

>> $cuda cuflgs=1 events=1 nocpu=1 $end

>> $cuda cumask=1 cuaff=5  $end

>> $intgrl qfmm=.t. $end

>> $mp4 sdtq=1 trpmet=2 mtio=1 spncnt=1 $end

>>

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