Posts by JugNut

1) Message boards : News : CUDA app testing (Message 5066)
Posted 18 Oct 2017 by JugNut
Post:
Thanks Krzysztof, perhaps you could post minimum requirements for the GPU app on the front page.

Cheers & once again good luck.
2) Message boards : News : CUDA app testing (Message 5063)
Posted 18 Oct 2017 by JugNut
Post:
Hey Krzysztof,
The GPU usage is extremely poor, running one at a time GPU usage is only 7% on 980ti & 1080ti's .

On this rig i7-5960x with 2 x GTX 970's driver version 382.05 i'm running 3 at a time(0.33).
But in the log#1 on the above box I found this.....


CUDA driver: 6.50
CUDA runtime: 0.0


NOTE: Error occurred during GPU detection:
CUDA driver version is insufficient for CUDA runtime version
Can not use GPU acceleration, will fall back to CPU kernels.



Running on 1 node with total 4 cores, 8 logical cores, 0 compatible GPUs
Hardware detected:
CPU info:
Vendor: GenuineIntel
Brand: Intel(R) Xeon(R) CPU E3-1245 V2 @ 3.40GHz
Family: 6 model: 58 stepping: 9
CPU features: aes apic avx clfsh cmov cx8 cx16 f16c htt lahf_lm mmx msr nonstop_tsc pcid pclmuldq pdcm popcnt pse rdrnd rdtscp sse2 sse3 sse4.1 sse4.2 ssse3 tdt x2apic
SIMD instructions most likely to fit this hardware: AVX_256
SIMD instructions selected at GROMACS compile time: SSE4.1


Binary not matching hardware - you might be losing performance.
SIMD instructions most likely to fit this hardware: AVX_256
SIMD instructions selected at GROMACS compile time: SSE4.1


The current CPU can measure timings more accurately than the code in
gmx was configured to use. This might affect your simulation
speed as accurate timings are needed for load-balancing.
Please consider rebuilding gmx with the GMX_USE_RDTSCP=ON CMake option
------------------------------------------------------------------------------------------------

So are the GPU's falling back to CPU only?
If this driver version is insufficient, then what version is sufficient?
3) Message boards : Number crunching : upcoming challenge (February 16-19): enough WUs available ? (Message 4769)
Posted 16 Feb 2017 by JugNut
Post:
Err OK, if you say so but thats over a ten fold reduction in credit. Why? Without this new change everyone was still equal, so why change things when people were happy?
4) Message boards : Number crunching : upcoming challenge (February 16-19): enough WUs available ? (Message 4767)
Posted 16 Feb 2017 by JugNut
Post:
No worries mate, but whats with the sudden credit reduction? Ever since i've been here vina tasks gave 5 credit per task. Now there averaging about 0.5 or or less? :(
5) Message boards : Number crunching : upcoming challenge (February 16-19): enough WUs available ? (Message 4765)
Posted 16 Feb 2017 by JugNut
Post:
What happened to the work Krzysztof? Where all dry.

The server status shows there's work but nothing....
6) Message boards : Number crunching : upcoming challenge (February 16-19): enough WUs available ? (Message 4764)
Posted 15 Feb 2017 by JugNut
Post:
Cool thanks Krzysztof :)
7) Message boards : Number crunching : upcoming challenge (February 16-19): enough WUs available ? (Message 4762)
Posted 15 Feb 2017 by JugNut
Post:
This 3 day challenge starts in just under 5hrs will there be work for it? For both Linux & windows?
8) Message boards : Number crunching : Password Reset (forgot password gadget not working) (Message 4708)
Posted 6 Feb 2017 by JugNut
Post:
You could use the authenticator method then make changes once your logged in.. https://boinc.drugdiscoveryathome.com/get_passwd.php
9) Questions and Answers : Getting started : Scheduler request failed: Error 403 (Message 4700)
Posted 3 Feb 2017 by JugNut
Post:
Hey Jason, you may be able to attach using BAM. I do not usually use BAM myself but over the years i've had one or two occasions when it was the only way I could attach. If afterwards you do not care for BAM then just do as I did and disable it, it's easy enough to do after you've attached,

When other tools fail it can sometimes be a lifesaver and definitely good to remember when normal things don't work normally ;) After saying that if the servers IP is being blocked you may get attached and still not get work. But i'd sure give it a try, what have you got to loose?

https://boincstats.com/en/bam/
10) Message boards : Number crunching : "Si" is not a valid AutoDock type. (Message 4699)
Posted 3 Feb 2017 by JugNut
Post:
It's an expected error when one uses database like pubchem. Unfortunately our docking programms work only on limited chemical space and structures with Si don't belong to it. Fortunately they are rarely compounds of interest. So I think if it is not a common error we can safely ignore it


Unfortunately I have 102 tasks with this error in last few days. So these errors are not very rare...



I'm with you Aurimas I have the same amount on just one PC,
https://boinc.drugdiscoveryathome.com/results.php?hostid=1900&offset=0&show_names=0&state=6&appid=

This was also mentioned in this other thread. https://boinc.drugdiscoveryathome.com/forum_thread.php?id=2067
11) Message boards : Number crunching : Parse error on line 6 in file "vina_data.pdbqt": (Message 4682)
Posted 31 Jan 2017 by JugNut
Post:
Hey Dingo, like you i've been getting this error too. I'm getting hundreds of these but on windows with vina.

on just one PC i've had 120+ computation errors in the last 24hrs. Most if not all with the same or similar error.

195 (0x000000C3) EXIT_CHILD_FAILED.

Looking In task details most have an invalid data type like below, so it looks like it's the same error on both window & linux...

Parse error on line 44 in file "vina_data.pdbqt": ATOM syntax incorrect: "Si" is not a valid AutoDock type. Note that AutoDock atom types are case-sensitive.
01:52:16 (2000): vina.exe exited; CPU time 0.000000

While most end within the first sec or two those seconds add up. The FIND project had the same problems with vina.
Anything that could be done to reduce the numbers would be good.

Examples:
https://boinc.drugdiscoveryathome.com/workunit.php?wuid=6372201
https://boinc.drugdiscoveryathome.com/workunit.php?wuid=6372236
https://boinc.drugdiscoveryathome.com/workunit.php?wuid=6372237
https://boinc.drugdiscoveryathome.com/workunit.php?wuid=6365941
https://boinc.drugdiscoveryathome.com/workunit.php?wuid=6365940
https://boinc.drugdiscoveryathome.com/workunit.php?wuid=6372201

There are hundreds more examples if you need them.

If this is considered normal behaviour for vina with this data set please let us know?



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