Re: [AMBER] cuda errors

From: Ross Walker <ross.rosswalker.co.uk>
Date: Thu, 31 May 2012 21:35:26 -0700

Hi Jonathan,

Good to know you got it working in the end. Good news is a 560 should
outperform the C1060.

> 61 file comparisons passed
> 13 file comparisons failed
> 7 tests experienced errors

The 7 'HARD' errors you got are all cuda malloc errors - this basically
means your card doesn't have enough memory to run that specific test. For
example the nucleosome runs need 1.5GB+ GPU memory. So this is nothing to
worry about, just a limitation of your graphics card.

The differences are:

Minor round off differences - nothing to worry about.
irest1_ntt0_igb8_ntc2
irest1_ntt0_igb5_ntc2
mdout.dhfr_charmm_min
mdout.dhfr_charmm_min
mdout.tip5p_box_npt

Large differences:
irest1_ntt2_igb1_ntc2
irest1_ntt3_igb1_ntc2
4096wat:mdout.vrand
4096wat:mdout.pure_wat_oct_nvt_ntt2 + mdcrd file
mdout.dhfr.ntb2_ntt3
mdout.ips_ntt3
npt_ntr_ntt3_oct:mdout.ntp1

These ones all occur when the random number generator is triggered. The
random number stream is different on different GPU models. ARRGHHH!!! I
could have sworn I removed these from the default tests for the release
version of the code. Somehow they are still in there.... :-( I guess I'll
disable them with the next patch in order to avoid confusion.

Short answer though is that YES EVERYTHING IS OK.

Have fun...

All the best
Ross

/\
\/
|\oss Walker

---------------------------------------------------------
| Assistant Research Professor |
| San Diego Supercomputer Center |
| Adjunct Assistant Professor |
| Dept. of Chemistry and Biochemistry |
| University of California San Diego |
| NVIDIA Fellow |
| http://www.rosswalker.co.uk | http://www.wmd-lab.org/ |
| Tel: +1 858 822 0854 | EMail:- ross.rosswalker.co.uk |
---------------------------------------------------------

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Received on Thu May 31 2012 - 22:00:02 PDT
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