Posts by Sergey Kovalchuk

1) Message boards : News : Badges (Message 4781)
Posted 17 Feb 2017 by Sergey Kovalchuk
Post:
Would you post the associated graphics please?


2nd badge does not fit into the general line

.








2) Message boards : News : Ethereum wallet testing (Message 4760)
Posted 15 Feb 2017 by Sergey Kovalchuk
Post:
Would it be possible to earn the benefit of a third party?
For example, a set of charity wallets instead of own wallet.
Or separate pojects on principle Bitcoin Utopia (Ethereum Utopia) with a set of charity campaigns

I have no wallet and no desire to create it.
I would like to be able to choose from several options proposed by the administrator of the system.
3) Message boards : Number crunching : Smina for mol2 (Message 4735)
Posted 8 Feb 2017 by Sergey Kovalchuk
Post:
Host #56 received message "No tasks are available for Smina for mol2"
Server status page - 54k unsent tasks
Maybe these tasks are not for Linux x86_64
4) Message boards : News : Smina application released (Message 4653)
Posted 23 Jan 2017 by Sergey Kovalchuk
Post:
Server status - Smina 431 WU Unsent (Task data as of 23 Jan 2017, 14:51:03 UTC)
But "No tasks are available for Smina"

Option "If no work for selected applications is available, accept work from other applications" don't work
5) Message boards : News : Smina application released (Message 4630)
Posted 21 Jan 2017 by Sergey Kovalchuk
Post:
Done :)

And now "No tasks are available for Smina"
We need more tasks :o)
6) Message boards : Number crunching : Some errors with 10.1 version (Message 4567)
Posted 4 Jan 2017 by Sergey Kovalchuk
Post:
host with error

Error in user input:
Invalid input values


Some jobs give an error
mv: cannot stat 'gromacs_long_run.sh': No such file or directory


"./gmx" run time (100% of one CPU core) is not included in the total CPU time
7) Message boards : Number crunching : dd_short_gmx (beta) VERY short (Message 4562)
Posted 2 Jan 2017 by Sergey Kovalchuk
Post:
Start job on Ubuntu 16.04 - host
Got a normal output from application, but an error "exceeded elapsed time limit 498.39 (1000000.00G/2006.46G)"
8) Message boards : Number crunching : dd_short_gmx (beta) VERY short (Message 4560)
Posted 2 Jan 2017 by Sergey Kovalchuk
Post:
In a case if WU falls immediately on you system you need to install two library packages:
libblas3
liblapack3


I have already been installed. And a package 'gromacs' with all dependencies, but old version 4.6.5 from OS distro :-(
All WU with eror:
./gmx: /usr/lib/x86_64-linux-gnu/libgomp.so.1: version `GOMP_4.0' not found (required by ./gmx)
./gmx: /usr/lib/x86_64-linux-gnu/libstdc++.so.6: version `GLIBCXX_3.4.20' not found (required by ./gmx)


[edit]
after "apt-get install zip unzip" - task ~20 sec but validated with warning
9) Message boards : Number crunching : dd_short_gmx (beta) VERY short (Message 4554)
Posted 30 Dec 2016 by Sergey Kovalchuk
Post:
library versions mismatch on Ubuntu 14.04

./gmx: /usr/lib/x86_64-linux-gnu/libgomp.so.1: version `GOMP_4.0' not found (required by ./gmx)
./gmx: /usr/lib/x86_64-linux-gnu/libstdc++.so.6: version `GLIBCXX_3.4.20' not found (required by ./gmx)


I installed GROMACS from OS distribution. Can I switch application to a local binary?

Similar difficulties have been with the project BURP. There you can switch to the local blender using file "native" in the project folder
10) Message boards : Number crunching : dd_short_gmx (beta) VERY short (Message 4551)
Posted 29 Dec 2016 by Sergey Kovalchuk
Post:
'exec' bit for ./gmx ?

drwxrwx--x 6 boinc boinc 4096 Dec 29 16:31 .
drwxrwx--x 15 boinc boinc 4096 Dec 28 15:45 ..
-rwxrwxrwx 1 boinc boinc 138532 Dec 9 13:30 3uh4_complex.pdb
drwxrwxrwx 2 boinc boinc 4096 Dec 9 15:14 LIG2
drwxr-xr-x 2 boinc boinc 4096 Dec 29 16:31 LIG2_long_run
-rwxrwxrwx 1 boinc boinc 3780 Dec 29 13:58 atommass.dat
-rw-r--r-- 1 boinc boinc 0 Dec 29 16:31 boinc_lockfile
-rw-r--r-- 1 boinc boinc 8192 Dec 29 16:32 boinc_mmap_file
-rw-r--r-- 1 boinc boinc 4108 Dec 29 16:31 complex.pdb
-rw-r--r-- 1 boinc boinc 8800567 Dec 29 16:31 dd_short_gmx.in
-rwxr-xr-x 1 boinc boinc 221170 Dec 29 16:31 dd_short_gmx_600_x86_64-pc-linux-gnu
-rwxrwxrwx 1 boinc boinc 3940 Dec 29 13:58 elements.dat
-rw-r--r-- 1 boinc boinc 20068560 Dec 29 15:17 gmx
-rwxr-xr-x 1 boinc boinc 1945 Dec 29 14:30 gromacs_md_preparation_pdb.sh
-rw-r--r-- 1 boinc boinc 5220 Dec 29 16:31 init_data.xml
-rw-r--r-- 1 boinc boinc 89 Dec 29 16:31 job.xml
drwxrwxrwx 2 boinc boinc 4096 Dec 9 13:35 mdp_files
drwxrwxrwx 2 boinc boinc 4096 Dec 29 13:58 oplsaa.ff
-rw-r--r-- 1 boinc boinc 135999 Dec 29 16:31 protein.pdb
-rwxrwxrwx 1 boinc boinc 2691 Dec 29 13:58 residuetypes.dat
-rwxrwxrwx 1 boinc boinc 29266 Dec 29 13:58 spc216.gro
-rwxrwxrwx 1 boinc boinc 343 Dec 29 13:58 specbond.dat
-rw-r--r-- 1 boinc boinc 1948 Dec 29 16:31 stderr.txt
-rwxrwxrwx 1 boinc boinc 848 Dec 29 13:58 vdwradii.dat
-rwxrwxrwx 1 boinc boinc 681 Dec 29 13:58 xlateat.dat
11) Message boards : Number crunching : v4.00 (Message 4541)
Posted 22 Dec 2016 by Sergey Kovalchuk
Post:
Something is wrong with v4.00. Run time fell to 1 sec. It seems does not work
12) Message boards : Science : New server, new science (Message 4540)
Posted 22 Dec 2016 by Sergey Kovalchuk
Post:
Link

Uprzejmie informuję, że projekt DrugDiscovery@Home wraca do życia.
W projekcie planowane są wrappery kilku znanych aplikacji biologicznych i biomedycznych opartych o kod Open Source.

W najbliższym czasie zostaną uruchomione aplikacje gromacs, vina oraz OpenBabel w wersjach dla CPU, CUDA oraz OpenCL.

Projekt ten będzie dość nietypowym przedsięwzięciem w świecie BOINC, gdyż będzie częściowo komercyjnym przedsięwzięciem – jednak planowane jest współdzielenie mocy z naukowcami z ośrodków naukowych bezpłatnie.
Ciekawostką jest, że w projekcie za liczenie będą przyznawane monety specjalnie stworzonej kryptowaluty (bazującej na Ethereum), a jej wartość rzeczywistą będą kreowały opłaty przyszłych instytucji zainteresowanych obliczeniami (czyli większość uzyskanych środków będzie przydziela wolontariuszy – ile dokładnie procentowo jeszcze nie jest wiadome).

Obecnie w projekcie odbywają się testy aplikacji i serwera i nie jest on jeszcze w fazie produkcyjnej.



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