New CHARMM version and work-units


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Profile Michela
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Message 4161 - Posted 28 Jul 2008 21:05:31 UTC

Hi All,

We moved to a new version of CHARMM with more features for the MD simulations so that we can do more accurate science. Unfortunately this has meant to go through the new integration of BOINC in CHARMM and this is always a challenge. Currently we are distributing Linux work-units and we are working on the Windows version. For both versions, Linux and Windows, we have a screensaver. Unfortunately the screensaver seems not to work on every machine :-( We are working on this! In the meanwhile, please let us know if the "show graphics" features work on you machine, what OS you have, what Windows manager, and (most important) what graphics card.

I will write more about the protein we are considering for our simulations soon!

Stay tuned!

Michela


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If you are interested in working on Docking@Home in a great group at UDel, contact me at 'taufer at acm dot org'!

Profile Michela
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Message 4164 - Posted 28 Jul 2008 21:51:53 UTC

By the way, we are not using homogeneous redundancy and replications but a powerful post-processing algorithm that evaluates each result. That means that any work-unit get credits faster!

Michela
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If you are interested in working on Docking@Home in a great group at UDel, contact me at 'taufer at acm dot org'!

STE\/E [BlackOpsTeam]
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Message 4165 - Posted 28 Jul 2008 21:59:58 UTC - in response to Message ID 4164 .

By the way, we are not using homogeneous redundancy and replications but a powerful post-processing algorithm that evaluates each result. That means that any work-unit get credits faster!

Michela


Seems to be a slight improvement in the Credits Granted over what was being given, at least now your back into the middle of the Pack instead of at the lower end of it ... :)
Profile Michela
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Message 4166 - Posted 28 Jul 2008 22:12:43 UTC

There is an error that we have not been able to solve yet. Sometime when we "squeeze" and "stretch" bonds in our simulation, we squeeze/stretch too much and there is some violation of energy values that causes CHARMM to stop. We have seen some cases and we are thinking how to solve this issue. It is a challenging task because the phenomena is random. We cannot just jump to the next instructions :-(

Michela
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If you are interested in working on Docking@Home in a great group at UDel, contact me at 'taufer at acm dot org'!

STE\/E [BlackOpsTeam]
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Message 4167 - Posted 29 Jul 2008 0:40:03 UTC
Last modified: 29 Jul 2008 0:41:10 UTC

I had to Reset the Project on this Box http://docking.cis.udel.edu/results.php?hostid=7058 because the Box just kept Locking up for some reason, it simply wouldn't run the Wu's.

It doesn't seem to have any problem running other Projects but it wouldn't run the Docking Wu's. It would Lock up after about 5-10 Min's to where I would have to Manually re-boot it and then 5-10 Min's later it would do the same thing.

If the same thing happens on any of the other Box's I have I'll be forced to do the same thing, so far it's the only Box I've noticed any problems with.

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Message 4168 - Posted 29 Jul 2008 1:42:35 UTC - in response to Message ID 4167 .

Hi PoorBoy, I'm looking at the invalid workunit reported by your host http://docking.cis.udel.edu/result.php?resultid=12232 to see if the problem was the conditions of stretching bonds or maybe a different error more related to your other problem. For that other problem with your box, could you post the messages that the client is giving you related to D@H? that way we can start figuring out the cause of that strange behavior, and please keep us posted if you have the same problem with other machine.

Thanks a lot for your time.

STE\/E [BlackOpsTeam]
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Message 4169 - Posted 29 Jul 2008 2:05:56 UTC
Last modified: 29 Jul 2008 2:33:34 UTC

Here's everything from the Time the Downloads completed, I don't see anything out of the Ordinary though other than this Line a few times I think > 28-Jul-2008 18:36:38 [Docking@Home] File size: 132539668.000000 bytes. Limit: 100000000.000000 bytes...

The File size is larger than the Limit I guess ... as you can see I re-booted a few times and finally just reset the Project because it wouldn't run more than a few min's before locking up again.

28-Jul-2008 16:29:31 [Docking@Home] Started download of 1hvi_mod0011sc_119_236219.inp
28-Jul-2008 16:29:34 [Docking@Home] Finished download of 1hvi_mod0011sc_119_236219.inp
28-Jul-2008 16:29:46 [Docking@Home] Started download of 1hvi_mod0011sc_27_376077.inp
28-Jul-2008 16:29:51 [Docking@Home] Finished download of 1hvi_mod0011sc_27_376077.inp
28-Jul-2008 16:32:33 [Docking@Home] Started download of 1hvi_mod0011sc_30_359656.inp
28-Jul-2008 16:32:36 [Docking@Home] Finished download of 1hvi_mod0011sc_30_359656.inp
28-Jul-2008 16:35:21 [Docking@Home] Started download of 1hvi_mod0011sc_24_267310.inp
28-Jul-2008 16:35:24 [Docking@Home] Finished download of 1hvi_mod0011sc_24_267310.inp
28-Jul-2008 16:37:32 [Docking@Home] Started download of 1hvi_mod0011sc_26_281268.inp
28-Jul-2008 16:37:35 [Docking@Home] Finished download of 1hvi_mod0011sc_26_281268.inp
28-Jul-2008 16:42:10 [Milkyway@home] Sending scheduler request: To fetch work. Requesting 1161987 seconds of work, reporting 1 completed tasks
28-Jul-2008 16:42:15 [Milkyway@home] Scheduler request succeeded: got 1 new tasks
28-Jul-2008 16:42:17 [Milkyway@home] Started download of parameters_generated_1217288209_26992
28-Jul-2008 16:42:18 [Milkyway@home] Finished download of parameters_generated_1217288209_26992
28-Jul-2008 16:42:25 [Milkyway@home] Sending scheduler request: To fetch work. Requesting 1150375 seconds of work, reporting 0 completed tasks
28-Jul-2008 16:42:28 [Docking@Home] Started download of charmm34_6.04_x86_64-pc-linux-gnu
28-Jul-2008 16:42:29 [Docking@Home] Started download of charmm34_graphics_6.04_x86_64-pc-linux-gnu
28-Jul-2008 16:42:31 [Milkyway@home] Scheduler request succeeded: got 0 new tasks
28-Jul-2008 16:42:31 [Milkyway@home] Message from server: No work sent
28-Jul-2008 16:42:31 [Milkyway@home] Message from server: (reached per-host limit of 20 tasks)
28-Jul-2008 16:42:38 [Docking@Home] Finished download of charmm34_graphics_6.04_x86_64-pc-linux-gnu
28-Jul-2008 16:42:38 [Docking@Home] Started download of 1hvi_mod0011sc_21_313492.inp
28-Jul-2008 16:42:47 [Docking@Home] Sending scheduler request: Requested by user. Requesting 1075306 seconds of work, reporting 0 completed tasks
28-Jul-2008 16:42:50 [Docking@Home] Finished download of 1hvi_mod0011sc_21_313492.inp
28-Jul-2008 16:42:50 [Docking@Home] Started download of 1hvi_mod0011sc_22_273496.inp
28-Jul-2008 16:42:52 [Docking@Home] Scheduler request succeeded: got 0 new tasks
28-Jul-2008 16:42:52 [Docking@Home] Message from server: No work sent
28-Jul-2008 16:42:52 [Docking@Home] Message from server: (won't finish in time) BOINC runs 100.0% of time, computation enabled 100.0% of that
28-Jul-2008 16:42:52 [---] General prefs: from Docking@Home (last modified 28-Jul-2008 16:38:35)
28-Jul-2008 16:42:52 [---] Host location: home
28-Jul-2008 16:42:52 [---] General prefs: no separate prefs for home; using your defaults
28-Jul-2008 16:42:52 [---] Preferences limit memory usage when active to 1913.10MB
28-Jul-2008 16:42:52 [---] Preferences limit memory usage when idle to 1993.65MB
28-Jul-2008 16:42:52 [---] Preferences limit disk usage to 21.81GB
28-Jul-2008 16:43:01 [Docking@Home] Finished download of 1hvi_mod0011sc_22_273496.inp
28-Jul-2008 16:43:01 [Docking@Home] Started download of 1hvi_mod0011sc_23_360110.inp
28-Jul-2008 16:43:08 [Docking@Home] Sending scheduler request: Requested by user. Requesting 385640 seconds of work, reporting 0 completed tasks
28-Jul-2008 16:43:09 [Docking@Home] Finished download of charmm34_6.04_x86_64-pc-linux-gnu
28-Jul-2008 16:43:09 [Docking@Home] Started download of 1hvi_mod0011sc_25_464235.inp
28-Jul-2008 16:43:10 [Docking@Home] Finished download of 1hvi_mod0011sc_23_360110.inp
28-Jul-2008 16:43:10 [Docking@Home] Started download of 1hvi_mod0011sc_28_237376.inp
28-Jul-2008 16:43:13 [Docking@Home] Scheduler request succeeded: got 0 new tasks
28-Jul-2008 16:43:17 [Docking@Home] Finished download of 1hvi_mod0011sc_28_237376.inp
28-Jul-2008 16:43:17 [Docking@Home] Started download of 1hvi_mod0011sc_29_376189.inp
28-Jul-2008 16:43:19 [Docking@Home] Finished download of 1hvi_mod0011sc_25_464235.inp
28-Jul-2008 16:43:19 [Docking@Home] Started download of 1hvi_mod0011sc_31_459017.inp
28-Jul-2008 16:43:26 [Docking@Home] Finished download of 1hvi_mod0011sc_29_376189.inp
28-Jul-2008 16:43:26 [Docking@Home] Finished download of 1hvi_mod0011sc_31_459017.inp
28-Jul-2008 16:44:15 [Docking@Home] Sending scheduler request: To fetch work. Requesting 385681 seconds of work, reporting 0 completed tasks
28-Jul-2008 16:44:20 [Docking@Home] Scheduler request succeeded: got 0 new tasks
28-Jul-2008 16:45:20 [Docking@Home] Sending scheduler request: To fetch work. Requesting 385717 seconds of work, reporting 0 completed tasks
28-Jul-2008 16:45:25 [Docking@Home] Scheduler request succeeded: got 0 new tasks
28-Jul-2008 16:46:25 [Docking@Home] Sending scheduler request: To fetch work. Requesting 385764 seconds of work, reporting 0 completed tasks
28-Jul-2008 16:46:30 [Docking@Home] Scheduler request succeeded: got 0 new tasks
28-Jul-2008 16:48:26 [Docking@Home] Sending scheduler request: To fetch work. Requesting 385830 seconds of work, reporting 0 completed tasks
28-Jul-2008 16:48:31 [Docking@Home] Scheduler request succeeded: got 0 new tasks
28-Jul-2008 16:49:56 [Docking@Home] Sending scheduler request: To fetch work. Requesting 385859 seconds of work, reporting 0 completed tasks
28-Jul-2008 16:50:01 [Docking@Home] Scheduler request succeeded: got 0 new tasks
28-Jul-2008 17:02:36 [Milkyway@home] Sending scheduler request: To fetch work. Requesting 386420 seconds of work, reporting 0 completed tasks
28-Jul-2008 17:02:41 [Milkyway@home] Scheduler request succeeded: got 0 new tasks
28-Jul-2008 17:02:41 [Milkyway@home] Message from server: No work sent
28-Jul-2008 17:02:41 [Milkyway@home] Message from server: (reached per-host limit of 20 tasks)
28-Jul-2008 17:05:11 [Docking@Home] Sending scheduler request: To fetch work. Requesting 386538 seconds of work, reporting 0 completed tasks
28-Jul-2008 17:05:16 [Docking@Home] Scheduler request succeeded: got 0 new tasks
28-Jul-2008 17:22:29 [Docking@Home] Sending scheduler request: To fetch work. Requesting 387444 seconds of work, reporting 0 completed tasks
28-Jul-2008 17:22:34 [Docking@Home] Scheduler request succeeded: got 0 new tasks
28-Jul-2008 17:22:44 [Milkyway@home] Sending scheduler request: To fetch work. Requesting 387443 seconds of work, reporting 0 completed tasks
28-Jul-2008 17:22:49 [Milkyway@home] Scheduler request succeeded: got 0 new tasks
28-Jul-2008 17:22:49 [Milkyway@home] Message from server: No work sent
28-Jul-2008 17:22:49 [Milkyway@home] Message from server: (reached per-host limit of 20 tasks)
28-Jul-2008 17:42:50 [Milkyway@home] Sending scheduler request: To fetch work. Requesting 388743 seconds of work, reporting 0 completed tasks
28-Jul-2008 17:42:55 [Milkyway@home] Scheduler request succeeded: got 0 new tasks
28-Jul-2008 17:42:55 [Milkyway@home] Message from server: No work sent
28-Jul-2008 17:42:55 [Milkyway@home] Message from server: (reached per-host limit of 20 tasks)
likelihood: -2.987698
parameters [8]: 0.512279 20.706329 -2.060579 31.879312 28.984287 4.087977 2.812696 5.088178
volume size: 89600000
info: generated: 41917, rand: -0.517474
28-Jul-2008 17:50:32 [Milkyway@home] Computation for task gs_3721282_1217256781_20560_0 finished
28-Jul-2008 17:50:32 [Docking@Home] Starting 1hvi_mod0011sc_119_236219_0
28-Jul-2008 17:50:32 [Docking@Home] Starting task 1hvi_mod0011sc_119_236219_0 using charmm34 version 604
28-Jul-2008 17:50:34 [Milkyway@home] Started upload of gs_3721282_1217256781_20560_0_0
28-Jul-2008 17:50:36 [Milkyway@home] Finished upload of gs_3721282_1217256781_20560_0_0
28-Jul-2008 18:02:59 [Milkyway@home] Sending scheduler request: To fetch work. Requesting 398180 seconds of work, reporting 1 completed tasks
28-Jul-2008 18:03:14 [Milkyway@home] Scheduler request succeeded: got 1 new tasks
28-Jul-2008 18:03:16 [Milkyway@home] Started download of parameters_generated_1217293160_28105
28-Jul-2008 18:03:24 [Milkyway@home] Finished download of parameters_generated_1217293160_28105
28-Jul-2008 18:03:25 [Milkyway@home] Sending scheduler request: To fetch work. Requesting 386566 seconds of work, reporting 0 completed tasks
28-Jul-2008 18:03:40 [Milkyway@home] Scheduler request succeeded: got 0 new tasks
28-Jul-2008 18:03:40 [Milkyway@home] Message from server: No work sent
28-Jul-2008 18:03:40 [Milkyway@home] Message from server: (reached per-host limit of 20 tasks)
28-Jul-2008 18:23:40 [Milkyway@home] Sending scheduler request: To fetch work. Requesting 387731 seconds of work, reporting 0 completed tasks
28-Jul-2008 18:24:05 [Milkyway@home] Scheduler request succeeded: got 0 new tasks
28-Jul-2008 18:24:05 [Milkyway@home] Message from server: No work sent
28-Jul-2008 18:24:05 [Milkyway@home] Message from server: (reached per-host limit of 20 tasks)
28-Jul-2008 18:36:38 [Docking@Home] Computation for task 1hvi_mod0011sc_119_236219_0 finished
28-Jul-2008 18:36:38 [Docking@Home] Output file 1hvi_mod0011sc_119_236219_0_3 for task 1hvi_mod0011sc_119_236219_0 exceeds size limit.
28-Jul-2008 18:36:38 [Docking@Home] File size: 132539668.000000 bytes. Limit: 100000000.000000 bytes
28-Jul-2008 18:36:38 [Docking@Home] Starting 1hvi_mod0011sc_21_313492_0
28-Jul-2008 18:36:38 [Docking@Home] Starting task 1hvi_mod0011sc_21_313492_0 using charmm34 version 604
28-Jul-2008 18:36:40 [Docking@Home] Started upload of 1hvi_mod0011sc_119_236219_0_0
28-Jul-2008 18:36:40 [Docking@Home] Started upload of 1hvi_mod0011sc_119_236219_0_1
28-Jul-2008 18:36:42 [Docking@Home] Finished upload of 1hvi_mod0011sc_119_236219_0_0
28-Jul-2008 18:36:42 [Docking@Home] Finished upload of 1hvi_mod0011sc_119_236219_0_1
28-Jul-2008 18:36:42 [Docking@Home] Started upload of 1hvi_mod0011sc_119_236219_0_2
28-Jul-2008 18:36:44 [Docking@Home] Finished upload of 1hvi_mod0011sc_119_236219_0_2
28-Jul-2008 20:04:35 [---] Starting BOINC client version 5.10.45 for x86_64-pc-linux-gnu
28-Jul-2008 20:04:35 [---] log flags: task, file_xfer, sched_ops
28-Jul-2008 20:04:35 [---] Libraries: libcurl/7.18.0 OpenSSL/0.9.8g zlib/1.2.3.3 libidn/1.1
28-Jul-2008 20:04:35 [---] Data directory: /var/lib/boinc-client
28-Jul-2008 20:04:38 [Einstein@Home] Found app_info.xml; using anonymous platform
28-Jul-2008 20:04:38 [---] Processor: 4 GenuineIntel Intel(R) Core(TM)2 Quad CPU Q6600 @ 2.40GHz [Family 6 Model 15 Stepping 11]
28-Jul-2008 20:04:38 [---] Processor features: fpu vme de pse tsc msr pae mce cx8 apic sep mtrr pge mca cmov pat pse36 clflush dts acpi mmx fxsr sse sse2 ss ht tm pbe syscall lm constant_tsc arch_perfmon pebs bts rep_good pni monitor ds_cpl vmx est tm2 ssse3 cx16 xtpr lahf_lm
28-Jul-2008 20:04:38 [---] OS: Linux: 2.6.24-19-generic
28-Jul-2008 20:04:38 [---] Memory: 1.97 GB physical, 1.18 GB virtual
28-Jul-2008 20:04:38 [---] Disk: 26.05 GB total, 21.68 GB free
28-Jul-2008 20:04:38 [---] Local time is UTC -4 hours
28-Jul-2008 20:04:38 [PrimeGrid] URL: http://www.primegrid.com/; Computer ID: 70587; location: home; project prefs: default
28-Jul-2008 20:04:38 [Cosmology@Home] URL: http://www.cosmologyathome.org/; Computer ID: 26099; location: (none); project prefs: default
28-Jul-2008 20:04:38 [Einstein@Home] URL: http://einstein.phys.uwm.edu/; Computer ID: 1471801; location: home; project prefs: default
28-Jul-2008 20:04:38 [geneticlife@home] URL: http://genlife.is-a-geek.org/genlife/; Computer ID: 28; location: (none); project prefs: default
28-Jul-2008 20:04:38 [ABC@home] URL: http://abcathome.com/; Computer ID: 54655; location: home; project prefs: default
28-Jul-2008 20:04:38 [Milkyway@home] URL: http://milkyway.cs.rpi.edu/milkyway/; Computer ID: 20775; location: home; project prefs: default
28-Jul-2008 20:04:38 [Docking@Home] URL: http://docking.cis.udel.edu/; Computer ID: 7058; location: home; project prefs: default
28-Jul-2008 20:04:38 [orbit@home] URL: http://orbit.psi.edu/oah/; Computer ID: 7252; location: (none); project prefs: default
28-Jul-2008 20:04:38 [boincsimap] URL: http://boinc.bio.wzw.tum.de/boincsimap/; Computer ID: 120023; location: home; project prefs: default
28-Jul-2008 20:04:38 [---] General prefs: from Docking@Home (last modified 28-Jul-2008 16:38:35)
28-Jul-2008 20:04:38 [---] Host location: home
28-Jul-2008 20:04:38 [---] General prefs: no separate prefs for home; using your defaults
28-Jul-2008 20:04:38 [---] Preferences limit memory usage when active to 1913.10MB
28-Jul-2008 20:04:38 [---] Preferences limit memory usage when idle to 1993.65MB
28-Jul-2008 20:04:38 [---] Preferences limit disk usage to 21.68GB
28-Jul-2008 20:04:38 [Docking@Home] Restarting task 1hvi_mod0011sc_21_313492_0 using charmm34 version 604
28-Jul-2008 20:04:38 [Docking@Home] Starting 1hvi_mod0011sc_22_273496_0
28-Jul-2008 20:04:38 [Docking@Home] Starting task 1hvi_mod0011sc_22_273496_0 using charmm34 version 604
28-Jul-2008 20:04:38 [Docking@Home] Starting 1hvi_mod0011sc_23_360110_0
28-Jul-2008 20:04:38 [Docking@Home] Starting task 1hvi_mod0011sc_23_360110_0 using charmm34 version 604
28-Jul-2008 20:04:38 [Docking@Home] Starting 1hvi_mod0011sc_24_267310_0
28-Jul-2008 20:04:38 [Docking@Home] Starting task 1hvi_mod0011sc_24_267310_0 using charmm34 version 604
28-Jul-2008 20:04:38 [Milkyway@home] Sending scheduler request: To fetch work. Requesting 388818 seconds of work, reporting 0 completed tasks
28-Jul-2008 20:04:44 [Milkyway@home] Scheduler request failed: Couldn't resolve host name
28-Jul-2008 20:05:35 [Docking@Home] Sending scheduler request: Requested by user. Requesting 0 seconds of work, reporting 1 completed tasks
28-Jul-2008 20:05:40 [Docking@Home] Scheduler request succeeded: got 0 new tasks
28-Jul-2008 20:05:46 [Milkyway@home] Sending scheduler request: To fetch work. Requesting 387502 seconds of work, reporting 0 completed tasks
28-Jul-2008 20:05:51 [Milkyway@home] Scheduler request succeeded: got 0 new tasks
28-Jul-2008 20:05:51 [Milkyway@home] Message from server: No work sent
28-Jul-2008 20:05:51 [Milkyway@home] Message from server: (reached per-host limit of 20 tasks)
28-Jul-2008 20:12:50 [---] Starting BOINC client version 5.10.45 for x86_64-pc-linux-gnu
28-Jul-2008 20:12:50 [---] log flags: task, file_xfer, sched_ops
28-Jul-2008 20:12:50 [---] Libraries: libcurl/7.18.0 OpenSSL/0.9.8g zlib/1.2.3.3 libidn/1.1
28-Jul-2008 20:12:50 [---] Data directory: /var/lib/boinc-client
28-Jul-2008 20:12:52 [Einstein@Home] Found app_info.xml; using anonymous platform
28-Jul-2008 20:12:52 [---] Processor: 4 GenuineIntel Intel(R) Core(TM)2 Quad CPU Q6600 @ 2.40GHz [Family 6 Model 15 Stepping 11]
28-Jul-2008 20:12:52 [---] Processor features: fpu vme de pse tsc msr pae mce cx8 apic sep mtrr pge mca cmov pat pse36 clflush dts acpi mmx fxsr sse sse2 ss ht tm pbe syscall lm constant_tsc arch_perfmon pebs bts rep_good pni monitor ds_cpl vmx est tm2 ssse3 cx16 xtpr lahf_lm
28-Jul-2008 20:12:52 [---] OS: Linux: 2.6.24-19-generic
28-Jul-2008 20:12:52 [---] Memory: 1.97 GB physical, 1.18 GB virtual
28-Jul-2008 20:12:52 [---] Disk: 26.05 GB total, 21.79 GB free
28-Jul-2008 20:12:52 [---] Local time is UTC -4 hours
28-Jul-2008 20:12:52 [PrimeGrid] URL: http://www.primegrid.com/; Computer ID: 70587; location: home; project prefs: default
28-Jul-2008 20:12:52 [Cosmology@Home] URL: http://www.cosmologyathome.org/; Computer ID: 26099; location: (none); project prefs: default
28-Jul-2008 20:12:52 [Einstein@Home] URL: http://einstein.phys.uwm.edu/; Computer ID: 1471801; location: home; project prefs: default
28-Jul-2008 20:12:52 [geneticlife@home] URL: http://genlife.is-a-geek.org/genlife/; Computer ID: 28; location: (none); project prefs: default
28-Jul-2008 20:12:52 [ABC@home] URL: http://abcathome.com/; Computer ID: 54655; location: home; project prefs: default
28-Jul-2008 20:12:52 [Milkyway@home] URL: http://milkyway.cs.rpi.edu/milkyway/; Computer ID: 20775; location: home; project prefs: default
28-Jul-2008 20:12:52 [Docking@Home] URL: http://docking.cis.udel.edu/; Computer ID: 7058; location: home; project prefs: default
28-Jul-2008 20:12:52 [orbit@home] URL: http://orbit.psi.edu/oah/; Computer ID: 7252; location: (none); project prefs: default
28-Jul-2008 20:12:52 [boincsimap] URL: http://boinc.bio.wzw.tum.de/boincsimap/; Computer ID: 120023; location: home; project prefs: default
28-Jul-2008 20:12:52 [---] General prefs: from Docking@Home (last modified 28-Jul-2008 16:38:35)
28-Jul-2008 20:12:52 [---] Host location: home
28-Jul-2008 20:12:52 [---] General prefs: no separate prefs for home; using your defaults
28-Jul-2008 20:12:52 [---] Preferences limit memory usage when active to 1913.10MB
28-Jul-2008 20:12:52 [---] Preferences limit memory usage when idle to 1993.65MB
28-Jul-2008 20:12:52 [---] Preferences limit disk usage to 21.79GB
28-Jul-2008 20:12:52 [Docking@Home] Restarting task 1hvi_mod0011sc_21_313492_0 using charmm34 version 604
28-Jul-2008 20:12:52 [Docking@Home] Restarting task 1hvi_mod0011sc_22_273496_0 using charmm34 version 604
28-Jul-2008 20:12:52 [Docking@Home] Restarting task 1hvi_mod0011sc_23_360110_0 using charmm34 version 604
28-Jul-2008 20:12:52 [Docking@Home] Restarting task 1hvi_mod0011sc_24_267310_0 using charmm34 version 604
28-Jul-2008 20:15:43 [Docking@Home] Computation for task 1hvi_mod0011sc_23_360110_0 finished
28-Jul-2008 20:15:43 [Milkyway@home] Restarting task gs_3720282_1217261578_21896_0 using astronomy version 123
28-Jul-2008 20:15:45 [Docking@Home] Started upload of 1hvi_mod0011sc_23_360110_0_0
28-Jul-2008 20:15:45 [Docking@Home] Started upload of 1hvi_mod0011sc_23_360110_0_1
28-Jul-2008 20:16:23 [Docking@Home] Finished upload of 1hvi_mod0011sc_23_360110_0_0
28-Jul-2008 20:16:23 [Docking@Home] Finished upload of 1hvi_mod0011sc_23_360110_0_1
28-Jul-2008 20:16:23 [Docking@Home] Started upload of 1hvi_mod0011sc_23_360110_0_2
28-Jul-2008 20:16:23 [Docking@Home] Started upload of 1hvi_mod0011sc_23_360110_0_3
28-Jul-2008 20:16:50 [Docking@Home] Finished upload of 1hvi_mod0011sc_23_360110_0_2
likelihood: -2.985738
parameters [8]: 0.488895 20.017481 -2.040276 31.664476 28.849148 3.888741 2.126080 4.902833
volume size: 89600000
info: generated: 51288, rand: -0.797822
28-Jul-2008 20:17:44 [Milkyway@home] Computation for task gs_3720282_1217261578_21896_0 finished
28-Jul-2008 20:17:44 [Milkyway@home] Restarting task gs_3721282_1217268219_23003_0 using astronomy version 123
28-Jul-2008 20:17:46 [Milkyway@home] Started upload of gs_3720282_1217261578_21896_0_0
28-Jul-2008 20:18:12 [Milkyway@home] Finished upload of gs_3720282_1217261578_21896_0_0
28-Jul-2008 20:20:27 [Milkyway@home] Sending scheduler request: Requested by user. Requesting 403310 seconds of work, reporting 1 completed tasks
28-Jul-2008 20:20:59 [Milkyway@home] Scheduler request succeeded: got 1 new tasks
28-Jul-2008 20:21:02 [Milkyway@home] Started download of parameters_generated_1217301222_29688
28-Jul-2008 20:21:11 [Milkyway@home] Sending scheduler request: To fetch work. Requesting 391584 seconds of work, reporting 0 completed tasks
28-Jul-2008 20:21:16 [Milkyway@home] Finished download of parameters_generated_1217301222_29688
28-Jul-2008 20:21:36 [Milkyway@home] Scheduler request succeeded: got 0 new tasks
28-Jul-2008 20:21:36 [Milkyway@home] Message from server: No work sent
28-Jul-2008 20:21:36 [Milkyway@home] Message from server: (reached per-host limit of 20 tasks)
28-Jul-2008 20:21:42 [Docking@Home] Sending scheduler request: Requested by user. Requesting 0 seconds of work, reporting 1 completed tasks
28-Jul-2008 20:32:40 [---] Starting BOINC client version 5.10.45 for x86_64-pc-linux-gnu
28-Jul-2008 20:32:40 [---] log flags: task, file_xfer, sched_ops
28-Jul-2008 20:32:40 [---] Libraries: libcurl/7.18.0 OpenSSL/0.9.8g zlib/1.2.3.3 libidn/1.1
28-Jul-2008 20:32:40 [---] Data directory: /var/lib/boinc-client
28-Jul-2008 20:32:43 [Einstein@Home] Found app_info.xml; using anonymous platform
28-Jul-2008 20:32:43 [---] Processor: 4 GenuineIntel Intel(R) Core(TM)2 Quad CPU Q6600 @ 2.40GHz [Family 6 Model 15 Stepping 11]
28-Jul-2008 20:32:43 [---] Processor features: fpu vme de pse tsc msr pae mce cx8 apic sep mtrr pge mca cmov pat pse36 clflush dts acpi mmx fxsr sse sse2 ss ht tm pbe syscall lm constant_tsc arch_perfmon pebs bts rep_good pni monitor ds_cpl vmx est tm2 ssse3 cx16 xtpr lahf_lm
28-Jul-2008 20:32:43 [---] OS: Linux: 2.6.24-19-generic
28-Jul-2008 20:32:43 [---] Memory: 1.97 GB physical, 1.18 GB virtual
28-Jul-2008 20:32:43 [---] Disk: 26.05 GB total, 21.76 GB free
28-Jul-2008 20:32:43 [---] Local time is UTC -4 hours
28-Jul-2008 20:32:43 [PrimeGrid] URL: http://www.primegrid.com/; Computer ID: 70587; location: home; project prefs: default
28-Jul-2008 20:32:43 [Cosmology@Home] URL: http://www.cosmologyathome.org/; Computer ID: 26099; location: (none); project prefs: default
28-Jul-2008 20:32:43 [Einstein@Home] URL: http://einstein.phys.uwm.edu/; Computer ID: 1471801; location: home; project prefs: default
28-Jul-2008 20:32:43 [geneticlife@home] URL: http://genlife.is-a-geek.org/genlife/; Computer ID: 28; location: (none); project prefs: default
28-Jul-2008 20:32:43 [ABC@home] URL: http://abcathome.com/; Computer ID: 54655; location: home; project prefs: default
28-Jul-2008 20:32:43 [Milkyway@home] URL: http://milkyway.cs.rpi.edu/milkyway/; Computer ID: 20775; location: home; project prefs: default
28-Jul-2008 20:32:43 [Docking@Home] URL: http://docking.cis.udel.edu/; Computer ID: 7058; location: home; project prefs: default
28-Jul-2008 20:32:43 [orbit@home] URL: http://orbit.psi.edu/oah/; Computer ID: 7252; location: (none); project prefs: default
28-Jul-2008 20:32:43 [boincsimap] URL: http://boinc.bio.wzw.tum.de/boincsimap/; Computer ID: 120023; location: home; project prefs: default
28-Jul-2008 20:32:43 [---] General prefs: from Docking@Home (last modified 28-Jul-2008 16:38:35)
28-Jul-2008 20:32:43 [---] Host location: home
28-Jul-2008 20:32:43 [---] General prefs: no separate prefs for home; using your defaults
28-Jul-2008 20:32:43 [---] Preferences limit memory usage when active to 1913.10MB
28-Jul-2008 20:32:43 [---] Preferences limit memory usage when idle to 1993.65MB
28-Jul-2008 20:32:43 [---] Preferences limit disk usage to 21.76GB
28-Jul-2008 20:32:43 [Docking@Home] Started upload of 1hvi_mod0011sc_23_360110_0_3
28-Jul-2008 20:32:43 [Milkyway@home] Restarting task gs_3721282_1217268219_23003_0 using astronomy version 123
28-Jul-2008 20:32:43 [Docking@Home] Restarting task 1hvi_mod0011sc_21_313492_0 using charmm34 version 604
28-Jul-2008 20:32:43 [Docking@Home] Restarting task 1hvi_mod0011sc_22_273496_0 using charmm34 version 604
28-Jul-2008 20:32:43 [Docking@Home] Restarting task 1hvi_mod0011sc_24_267310_0 using charmm34 version 604
28-Jul-2008 20:32:43 [Docking@Home] Sending scheduler request: Requested by user. Requesting 0 seconds of work, reporting 1 completed tasks
28-Jul-2008 20:32:48 [Docking@Home] Temporarily failed upload of 1hvi_mod0011sc_23_360110_0_3: can't resolve hostname
28-Jul-2008 20:32:48 [Docking@Home] Backing off 1 min 0 sec on upload of 1hvi_mod0011sc_23_360110_0_3
28-Jul-2008 20:32:48 [Docking@Home] Scheduler request failed: Couldn't resolve host name
28-Jul-2008 20:33:36 [Milkyway@home] Restarting task gs_3721282_1217270189_23539_0 using astronomy version 123
28-Jul-2008 20:33:36 [Milkyway@home] Starting gs_3720282_1217270208_23897_1
28-Jul-2008 20:33:36 [Milkyway@home] Starting task gs_3720282_1217270208_23897_1 using astronomy version 123
28-Jul-2008 20:33:36 [Milkyway@home] Starting gs_3731382_1217275021_24441_0
28-Jul-2008 20:33:36 [Milkyway@home] Starting task gs_3731382_1217275021_24441_0 using astronomy version 123
28-Jul-2008 20:33:41 [Docking@Home] Resetting project
28-Jul-2008 20:33:51 [Docking@Home] Sending scheduler request: Requested by user. Requesting 0 seconds of work, reporting 0 completed tasks
28-Jul-2008 20:33:56 [Docking@Home] Scheduler request succeeded: got 0 new tasks
28-Jul-2008 20:41:37 [Milkyway@home] Sending scheduler request: To fetch work. Requesting 459303 seconds of work, reporting 0 completed tasks
28-Jul-2008 20:41:42 [Milkyway@home] Scheduler request succeeded: got 0 new tasks
28-Jul-2008 20:41:42 [Milkyway@home] Message from server: No work sent
28-Jul-2008 20:41:42 [Milkyway@home] Message from server: (reached per-host limit of 20 tasks)
28-Jul-2008 21:01:43 [Milkyway@home] Sending scheduler request: To fetch work. Requesting 461301 seconds of work, reporting 0 completed tasks
28-Jul-2008 21:01:48 [Milkyway@home] Scheduler request succeeded: got 0 new tasks
28-Jul-2008 21:01:48 [Milkyway@home] Message from server: No work sent
28-Jul-2008 21:01:48 [Milkyway@home] Message from server: (reached per-host limit of 20 tasks)
28-Jul-2008 21:21:50 [Milkyway@home] Sending scheduler request: To fetch work. Requesting 463535 seconds of work, reporting 0 completed tasks
28-Jul-2008 21:21:55 [Milkyway@home] Scheduler request succeeded: got 0 new tasks
28-Jul-2008 21:21:55 [Milkyway@home] Message from server: No work sent
28-Jul-2008 21:21:55 [Milkyway@home] Message from server: (reached per-host limit of 20 tasks)
likelihood: -2.990456
parameters [8]: 0.521585 20.796623 -2.094078 31.894538 29.540670 0.079556 5.853565 3.432513
volume size: 89600000
info: 42297, mutation
28-Jul-2008 21:25:36 [Milkyway@home] Computation for task gs_3721282_1217268219_23003_0 finished
28-Jul-2008 21:25:36 [Milkyway@home] Starting gs_3721282_1217275025_24556_0
28-Jul-2008 21:25:36 [Milkyway@home] Starting task gs_3721282_1217275025_24556_0 using astronomy version 123
28-Jul-2008 21:25:39 [Milkyway@home] Started upload of gs_3721282_1217268219_23003_0_0
28-Jul-2008 21:25:42 [Milkyway@home] Finished upload of gs_3721282_1217268219_23003_0_0
likelihood: -2.988158
parameters [8]: 0.499919 21.186097 -2.073300 32.065159 29.139119 3.339656 2.248749 4.038375
volume size: 89600000
info: generated: 42346, rand: -0.673112
28-Jul-2008 21:36:36 [Milkyway@home] Computation for task gs_3721282_1217270189_23539_0 finished
28-Jul-2008 21:36:36 [Milkyway@home] Starting gs_3711182_1217275032_24769_0
28-Jul-2008 21:36:36 [Milkyway@home] Starting task gs_3711182_1217275032_24769_0 using astronomy version 123
28-Jul-2008 21:36:38 [Milkyway@home] Started upload of gs_3721282_1217270189_23539_0_0
28-Jul-2008 21:36:41 [Milkyway@home] Finished upload of gs_3721282_1217270189_23539_0_0
likelihood: -2.985717
parameters [8]: 0.496859 19.021219 -1.893303 32.154625 29.621851 4.471842 2.849721 3.993195
volume size: 1400000
info: generated: 795517, rand: 0.126898
28-Jul-2008 21:40:00 [Milkyway@home] Computation for task gs_3711182_1217275032_24769_0 finished
28-Jul-2008 21:40:00 [Milkyway@home] Starting gs_3720282_1217275040_24851_0
28-Jul-2008 21:40:00 [Milkyway@home] Starting task gs_3720282_1217275040_24851_0 using astronomy version 123
28-Jul-2008 21:40:03 [Milkyway@home] Started upload of gs_3711182_1217275032_24769_0_0
28-Jul-2008 21:40:06 [Milkyway@home] Finished upload of gs_3711182_1217275032_24769_0_0
28-Jul-2008 21:41:59 [Milkyway@home] Sending scheduler request: To fetch work. Requesting 496051 seconds of work, reporting 3 completed tasks
28-Jul-2008 21:42:04 [Milkyway@home] Scheduler request succeeded: got 3 new tasks
28-Jul-2008 21:42:06 [Milkyway@home] Started download of parameters_generated_1217305848_30520
28-Jul-2008 21:42:06 [Milkyway@home] Started download of parameters_generated_1217305850_30566
28-Jul-2008 21:42:07 [Milkyway@home] Finished download of parameters_generated_1217305848_30520
28-Jul-2008 21:42:07 [Milkyway@home] Finished download of parameters_generated_1217305850_30566
28-Jul-2008 21:42:07 [Milkyway@home] Started download of parameters_generated_1217305847_30478
28-Jul-2008 21:42:08 [Milkyway@home] Finished download of parameters_generated_1217305847_30478
28-Jul-2008 21:42:14 [Milkyway@home] Sending scheduler request: To fetch work. Requesting 460964 seconds of work, reporting 0 completed tasks
28-Jul-2008 21:42:19 [Milkyway@home] Scheduler request succeeded: got 0 new tasks
28-Jul-2008 21:42:19 [Milkyway@home] Message from server: No work sent
28-Jul-2008 21:42:19 [Milkyway@home] Message from server: (reached per-host limit of 20 tasks)

Profile Trilce Estrada
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Message 4170 - Posted 29 Jul 2008 2:33:10 UTC - in response to Message ID 4169 .

Yes, you're right there seems to be a problem with the size, but I think there was something else causing the problem. These two fragments of your log will give us a clue =) I will look more in depth and I'll let you know if we can find a solution. In the meantime please let us know if you have this same problem with any other of your machines so that we can determine if it was a generalized problem, or something strange that hopefully is not happening again.


28-Jul-2008 20:32:43 [Docking@Home] Restarting task 1hvi_mod0011sc_21_313492_0 using charmm34 version 604
28-Jul-2008 20:32:43 [Docking@Home] Restarting task 1hvi_mod0011sc_22_273496_0 using charmm34 version 604
28-Jul-2008 20:32:43 [Docking@Home] Restarting task 1hvi_mod0011sc_24_267310_0 using charmm34 version 604
28-Jul-2008 20:32:43 [Docking@Home] Sending scheduler request: Requested by user. Requesting 0 seconds of work, reporting 1 completed tasks
28-Jul-2008 20:32:48 [Docking@Home] Temporarily failed upload of 1hvi_mod0011sc_23_360110_0_3: can't resolve hostname
28-Jul-2008 20:32:48 [Docking@Home] Backing off 1 min 0 sec on upload of 1hvi_mod0011sc_23_360110_0_3
28-Jul-2008 20:32:48 [Docking@Home] Scheduler request failed: Couldn't resolve host name



28-Jul-2008 18:36:38 [Docking@Home] Computation for task 1hvi_mod0011sc_119_236219_0 finished
28-Jul-2008 18:36:38 [Docking@Home] Output file 1hvi_mod0011sc_119_236219_0_3 for task 1hvi_mod0011sc_119_236219_0 exceeds size limit.
28-Jul-2008 18:36:38 [Docking@Home] File size: 132539668.000000 bytes. Limit: 100000000.000000 bytes
28-Jul-2008 18:36:38 [Docking@Home] Starting 1hvi_mod0011sc_21_313492_0
28-Jul-2008 18:36:38 [Docking@Home] Starting task 1hvi_mod0011sc_21_313492_0 using charmm34 version 604
28-Jul-2008 18:36:40 [Docking@Home] Started upload of 1hvi_mod0011sc_119_236219_0_0

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Message 4171 - Posted 29 Jul 2008 2:36:16 UTC

Okay, so far none of my other Box's seem to be having any problems, I'm off to bed now so I won't respond again until the morning if you come up with something ...

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Message 4174 - Posted 29 Jul 2008 8:36:02 UTC
Last modified: 29 Jul 2008 8:46:32 UTC

I got some WU on my Ubuntu 8.04 box.

BOINC 5.10.45
Emachines T-5226
2 GB ram
Pentium-D 925 (3GHz Dual core 65NM Pressler)
Ubuntu 2.6.24-19-generic SMP linux kernel
Standard Ubuntu desktop (Gnome 2.22.2 build date 06/03/2008)
Intel manufactured 945GCL mainboard with integrated graphics (GMA950)
BIOS is dated Feb 2007 and is custom to E-machines which has no BIOS updates available

After 1 hour 20 minutes of accumulated CPU time, the progress is still 0.000 %... When I go to the tasks tab in the BOINC manager, select the currently running Docking WU, and press the button to display graphics for the WU, I don't get anything, not even the popup box. I tried the graphics on a QMC WU running at the same time (on the other core) and they worked.

EDIT: Host is http://docking.cis.udel.edu/show_host_detail.php?hostid=6745

My other linux box is text only and runs CentOS (RHEL) Linux 2.6.9-67.0.20.ELsmp on a Q6600 Quad-core. It has returned a couple of WU's and gotten credit but it's a text-only machine so I can't test graphics on it. It's being granted the same credit that it claims.
____________
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Facts are subject to memory error :-)
Have you read a good science fiction novel lately?

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Message 4175 - Posted 29 Jul 2008 8:56:38 UTC

I don't get any Graphics either on any of my Box's:

Running Linux Ubuntu v8.04 2.6.24.19 on all Box's
A Mixture of ATI Radeon's 1600 & 1650's & NVidia GeForce 8600 & 8700's
BOINC client version 5.10.45 for x86_64-pc-linux-gnu on all Box's
Intel Q6600 - Q6700 - Q9450 in all Box's
Gigabyte DQ6's in all Box's

Tried them all with no success in getting the Graphics to show.

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Message 4177 - Posted 29 Jul 2008 11:34:31 UTC
Last modified: 29 Jul 2008 11:42:55 UTC

Have gotten two errored work units so far.
Maximum Disk Usage Exceeded
Process Exited With Code 1

Credit has moved from 5-8 cr/h to 10.5 cr/h on my AMD Opteron 275 running Linux Fedora Core 3. Still low but has moved slightly up.

Also as the CPU time goes up the Progress bar stays on 0.000% and then appears to jump to 100.00% when finished.
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Message 4178 - Posted 29 Jul 2008 12:18:57 UTC

I also started getting the Disk usage exceeded error, after the first couple of WU completed ok, on my text only (command line boinc 5.10.45) CentOS (RHEL with copyrighted graphics removed IIUC) system.
____________
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Facts are subject to memory error :-)
Have you read a good science fiction novel lately?

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Message 4179 - Posted 29 Jul 2008 13:01:36 UTC

I haven't had the Disk usage error yet that I know of anyway but I noticed I have had this error about a dozen times so far across 4 or 5 different Box's as I looked thru my results.

<core_client_version>5.10.45</core_client_version>
<![CDATA[
<message>
process exited with code 1 (0x1, -255)
</message>
<stderr_txt>
Calling BOINC init.
Starting charmm run (initial or from checkpoint)...
ERROR - Charmm exited with code 1.
Calling BOINC finish.
called boinc_finish

</stderr_txt>
]]>

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Message 4180 - Posted 29 Jul 2008 14:20:30 UTC - in response to Message ID 4179 .

OK, this problem is on top of our list today. We have a couple of ideas on which to work. We will keep you posted.

Michela
____________
If you are interested in working on Docking@Home in a great group at UDel, contact me at 'taufer at acm dot org'!

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Message 4181 - Posted 30 Jul 2008 0:57:35 UTC

Your Re-Sending Wu's that are bound to Fail, thus wasting a lot of our CPU time that could be put to use on other projects if thats all your going to do.

Isn't here some way for you to clear the Wu's that have failed already so they don't get sent back out again & again. I aborted as many as I could that had been sent out once already because any that show their a Re-send seem to fail on my Box's too.

Some of my box's have to many on them at the moment so I'm going to wait until I get closer to running them then just reset the Project rather than watch Wu after Wu run for an hour then Fail ...

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Message 4182 - Posted 30 Jul 2008 1:39:18 UTC - in response to Message ID 4181 .

We stopped the production of WUs once we saw that there was a major issue with the file size. We fixed the issue today and we are testing the new executable on our testing platform. We also found a possible solution for the screensaver on NVIDIA. Again we are testing.

Please cancel all the WUs still pending.

Michela
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If you are interested in working on Docking@Home in a great group at UDel, contact me at 'taufer at acm dot org'!

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Message 4184 - Posted 30 Jul 2008 8:42:26 UTC
Last modified: 30 Jul 2008 8:43:01 UTC

After getting another 13 "Maximum Disk Usage Exceeded" errors, and this is after the work unit is a few minutes of finishing, I have just read the post from Michela and I have now aborted all the resent work but I have kept 3 work units as they have not been issued before.

Also as the claimed credit appears to be still based on the Boinc benchmark system, I am losing out badly with Boinc Client version 5.10.45 which is giving very poor benchmarks compared to the previous version that is running on an identical machine and getting much higher benchmarks and claims.

It is not just the computer that can cause Benchmark changes but Boinc Client as well.

I may have to upgrade to a newer version, once I work out how, seeing as no Manager comes with Linux any more for my older Linux versions.
I may have to update them as well, again if I can work out how, from Fedora Core 3 or 6 to Fedora 8 I doubt will be a smooth transition.

@ Arun,
My Fedora Core 6 computer did run these last examples sent out (even though it got the "Maximum Disk Usage" error), with out erroring straight away, this is an improvement from before when none would run.
____________

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Message 4185 - Posted 30 Jul 2008 8:59:16 UTC
Last modified: 30 Jul 2008 8:59:41 UTC

I may have to upgrade to a newer version, once I work out how, seeing as no Manager comes with Linux any more for my older Linux versions.
I may have to update them as well, again if I can work out how, from Fedora Core 3 or 6 to Fedora 8 I doubt will be a smooth transition.


Hey Conan, how you doing, you could give Linux Ubuntu 8.04 a try, I did & it was pretty painless. But what I was doing was making all my Windows Box's Dual Boot Box's so I could run either Windows or Linux.

So I don't know how how that would work for you going from Fedora to Ubuntu but Like I said you could try it ... :)
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Message 4186 - Posted 30 Jul 2008 9:17:54 UTC

Every work unit I have had so far on my Kubuntu 64 machines has shown zero progress, then jumping to 100% at abut the one hour mark before giving a computation error and failing.

I have reset them all.
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Message 4187 - Posted 30 Jul 2008 17:28:28 UTC

Got a lot of error WUs, as I'm away from the puter most of the time, I can't say how it happened, but here is one stderr :

<core_client_version>6.2.14</core_client_version>
<![CDATA[
<message>
Maximum disk usage exceeded
</message>
<stderr_txt>
Unrecognized XML in parse_init_data_file: computation_deadline
Skipping: 1217870519.000000
Skipping: /computation_deadline
Calling BOINC init.
Starting charmm run (initial or from checkpoint)...

</stderr_txt>
]]>


It's from this computer .
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For questions about Boinc look in the BOINC-Wiki
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Message 4188 - Posted 30 Jul 2008 18:42:30 UTC - in response to Message ID 4187 .

It was a problem with the executable. Now it should be fine, so, please stop all the WUs that you received before the 30 of July 2008 1:39:18 UTC

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Message 4189 - Posted 30 Jul 2008 19:36:11 UTC - in response to Message ID 4188 .
Last modified: 30 Jul 2008 19:36:42 UTC

It was a problem with the executable. Now it should be fine, so, please stop all the WUs that you received before the 30 of July 2008 1:39:18 UTC



You'll have to come & pry them from my cold dead hands first ... hahaha ... J/k

I've been waiting for over a year to put this Project over the 1,000,000 Credit Mark and I'm not about to let any more go now that I have enough in my Caches until I reach that mark.

As long as the Majority of them finish okay I can live with 1 here or there failing & not getting any Credit for it ...
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Message 4190 - Posted 30 Jul 2008 21:31:34 UTC - in response to Message ID 4189 .

OK you can keep them, as long as you do not detach from the project because of those WU crashing =) anyway, you should get the new executable soon, and I'm sorry you had to wait too long for the mark, but from now everything will be more stable

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Message 4191 - Posted 30 Jul 2008 22:52:25 UTC - in response to Message ID 4190 .

OK you can keep them, as long as you do not detach from the project because of those WU crashing =) anyway, you should get the new executable soon, and I'm sorry you had to wait too long for the mark, but from now everything will be more stable


I may not make it anyway until the newer Wu's come out because I just Re-Set another Box that was giving all errors. The Wu's were running but just erring out after an hour or so.

I still have 1 Box though, my fastest one with enough Wu's on it to make it if enough of them finish without error. I should know by the morning if I have to Re-Set that box too or not ...
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Message 4192 - Posted 31 Jul 2008 4:27:02 UTC

A reset my box yesterday after reading your post, but the first new one agaon ended with the error:

<message>
Maximum disk usage exceeded
</message>

I was sleeping at that time, so I can't say anything about it's behaviour, but I've got sufficient disc space, and it's available for BOINC as well:
RL data:
Free disc space: 115 GB
BOINC preferences:
Use at most 100 GB disk space
Leave at least 5 GB disk space free
Use at most 50% of total disk space
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Message 4193 - Posted 31 Jul 2008 18:19:06 UTC - in response to Message ID 4192 .

We have a new charmm application called charmm34 6.06. We fixed the problem with the file that was getting too large. We also made some changes to the graphics and now the graphics should work for a larger group of workers.

We are still working on the energy violations that cause a charmm error. In a version available next week, we will interrupt the simulation (gently) when the violation takes place, return the partial results, and assign partial credits.

We are also working on the windows version of charmm. We should have the applicaiton ready for the Windows platforms next week.

Today we plan:
1. to distribute charmm 6.06 (plase rest the project)
2. to start seriously running simulations with 1hvi complex. This is science!!! Let's hope that charmm does not let us down with a new super bug. We will switch to a new complex next week.

I will start with some controlled generation of work-units and if there are not major issues, besides the rare energy violations, I will turn on the work-unit generator.

I still own you some more information on the simulation and the complexes but I have to share my time between D@H and my faculty duties :-) I will write more on the simulations as soon as charmm is stable.

Keep tuned!

Thanks,

Michela


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Message 4194 - Posted 31 Jul 2008 18:34:00 UTC - in response to Message ID 4193 .

By the way, the screensaver needs two new files that are generated starting from the new work-units. You should have screenenergy.pdb and screenenergy.psf in your slot/# to see the graphics.

Michela
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Message 4196 - Posted 31 Jul 2008 20:25:25 UTC

Is this for Linux only? Or will a windows app be released too?
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Message 4197 - Posted 31 Jul 2008 20:55:46 UTC - in response to Message ID 4194 .

By the way, the screensaver needs two new files that are generated starting from the new work-units. You should have screenenergy.pdb and screenenergy.psf in your slot/# to see the graphics.

Michela


I see the screenenergy.pdb and screenenergy.psf files in the Slots but I don't see any Graphics when selecting a Running Wu & Clicking on Show Graphics:

BOINC Client v5.10.45 for x86_64-pc-linux-gnu
Ubuntu 8.04 2.6.24-19-generic 64-Bit
Intel Quad CPU Q9450 @ 3.66GHz
ATI Radeon X1600 Pro (Stock Speed)


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Message 4198 - Posted 31 Jul 2008 21:28:46 UTC - in response to Message ID 4194 .

If your charmm34 6.06 ends prematurely, it is very likely that the log file (the file ending with _3 in slots/#) has this lines:

***** LEVEL -2 WARNING FROM <DYNAMC> *****
***** ENERGY CHANGE TOLERANCE EXCEEDED
******************************************
BOMLEV ( 0) IS REACHED - TERMINATING. WRNLEV IS 0

It means that an energy has been violated and the simulation does no longer make sense. We are working on charmm 34 6.07 that returns to us partial results and gives you partial credits for the partial simulations. The results obtained to the point of the violation are still useful and we can use them.

Michela



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Message 4199 - Posted 31 Jul 2008 21:29:15 UTC - in response to Message ID 4196 .

Soon, very soon we will ahve the Windows version.

Michela
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Message 4200 - Posted 31 Jul 2008 21:30:18 UTC - in response to Message ID 4197 .

Ubuntu 8.04 :-( We are not there yet with our graphics.

Michela

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Message 4201 - Posted 31 Jul 2008 21:34:37 UTC - in response to Message ID 4200 .

Ubuntu 8.04 :-( We are not there yet with our graphics.

Michela


Okay ... :)
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Message 4202 - Posted 31 Jul 2008 22:31:35 UTC - in response to Message ID 4193 .

We are still working on the energy violations that cause a charmm error. In a version available next week, we will interrupt the simulation (gently) when the violation takes place, return the partial results, and assign partial credits.



We just released a new charmm34 version, called 6.07, that gives partial credits when your charmm simulation stops because of an energy violation.

We also generated 300 new WUs. If we pass this testing we really turn on the work-unit generator :-)

Michela
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Message 4203 - Posted 1 Aug 2008 0:45:22 UTC - in response to Message ID 4202 .

We are able to capture the energy violations now but there is still another problem with charmm :-(

If your work-unit does not complete successfully with charmm34 6.07, this time it is very likely that the log file has this message:

***** LEVEL 0 WARNING FROM <RTFRDR> *****
***** Unexpected end of file during read
******************************************
BOMLEV ( 5) IS REACHED - TERMINATING. WRNLEV IS 0

We can reproduce this error and we are working on a solution.

Michela

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Message 4204 - Posted 1 Aug 2008 7:22:36 UTC - in response to Message ID 4191 .

OK you can keep them, as long as you do not detach from the project because of those WU crashing =) anyway, you should get the new executable soon, and I'm sorry you had to wait too long for the mark, but from now everything will be more stable


I may not make it anyway until the newer Wu's come out because I just Re-Set another Box that was giving all errors. The Wu's were running but just erring out after an hour or so.

I still have 1 Box though, my fastest one with enough Wu's on it to make it if enough of them finish without error. I should know by the morning if I have to Re-Set that box too or not ...


G'Day Poorboy, I will stick to Fedora for now, but will need to set the time for when I do it in case of 'issues'.

A BIG Party at Poorboy's house he has made past 1,000,000 cobblestones in Docking, it has taken awhile but a very big achievement.
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Message 4248 - Posted 12 Aug 2008 14:37:38 UTC

Hello,

12.08.2008 23:33:08||Starting BOINC client version 5.10.28 for windows_intelx86
12.08.2008 23:33:08||log flags: task, file_xfer, sched_ops, checkpoint_debug
12.08.2008 23:33:08||Libraries: libcurl/7.17.0 OpenSSL/0.9.8e zlib/1.2.3
12.08.2008 23:33:08||Data directory: C:UsersPrivateDesktopBOINC
12.08.2008 23:33:08|Enigma@Home|Found app_info.xml; using anonymous platform
12.08.2008 23:33:08||Processor: 1 GenuineIntel Intel(R) Pentium(R) M processor 1.60GHz [x86 Family 6 Model 13 Stepping 6]
12.08.2008 23:33:08||Processor features: fpu tsc sse sse2 mmx
12.08.2008 23:33:08||OS: Microsoft Windows Vista: Home Edition, Service Pack 1, (06.00.6001.00)
12.08.2008 23:33:08||Memory: 1022.85 MB physical, 2.25 GB virtual
12.08.2008 23:33:08||Disk: 74.53 GB total, 20.01 GB free
12.08.2008 23:33:08||Local time is UTC +9 hours
...
12.08.2008 23:33:31|Docking@Home|Fetching scheduler list
12.08.2008 23:33:36|Docking@Home|Master file download succeeded
12.08.2008 23:33:41|Docking@Home|Sending scheduler request: Requested by user. Requesting 3984 seconds of work, reporting 0 completed tasks
12.08.2008 23:33:46|Docking@Home|Scheduler request succeeded: got 0 new tasks
12.08.2008 23:33:46|Docking@Home|Message from server: No work sent
12.08.2008 23:33:46| Docking@Home|Message from server: Charmm 34a2 is not available for your type of computer.

Hmm..., any idea?

suguruhirahara
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Message 4249 - Posted 12 Aug 2008 14:56:47 UTC - in response to Message ID 4248 .

Hello,
12.08.2008 23:33:08||Starting BOINC client version 5.10.28 for windows_intelx86
12.08.2008 23:33:08||log flags: task, file_xfer, sched_ops, checkpoint_debug
12.08.2008 23:33:08||Libraries: libcurl/7.17.0 OpenSSL/0.9.8e zlib/1.2.3
12.08.2008 23:33:08||Data directory: C:UsersPrivateDesktopBOINC
12.08.2008 23:33:08|Enigma@Home|Found app_info.xml; using anonymous platform
12.08.2008 23:33:08||Processor: 1 GenuineIntel Intel(R) Pentium(R) M processor 1.60GHz [x86 Family 6 Model 13 Stepping 6]
12.08.2008 23:33:08||Processor features: fpu tsc sse sse2 mmx
12.08.2008 23:33:08||OS: Microsoft Windows Vista: Home Edition, Service Pack 1, (06.00.6001.00)
12.08.2008 23:33:08||Memory: 1022.85 MB physical, 2.25 GB virtual
12.08.2008 23:33:08||Disk: 74.53 GB total, 20.01 GB free
12.08.2008 23:33:08||Local time is UTC +9 hours
...
12.08.2008 23:33:31|Docking@Home|Fetching scheduler list
12.08.2008 23:33:36|Docking@Home|Master file download succeeded
12.08.2008 23:33:41|Docking@Home|Sending scheduler request: Requested by user. Requesting 3984 seconds of work, reporting 0 completed tasks
12.08.2008 23:33:46|Docking@Home|Scheduler request succeeded: got 0 new tasks
12.08.2008 23:33:46|Docking@Home|Message from server: No work sent
12.08.2008 23:33:46| Docking@Home|Message from server: Charmm 34a2 is not available for your type of computer.

Hmm..., any idea?

suguruhirahara


We start today distributing Windows work-units.

Michela

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Message 4250 - Posted 12 Aug 2008 19:58:21 UTC

Just detached/attached.

Now getting...

12/08/2008 20:54:00|Docking@Home|[error] Checksum or signature error for logo.jpg

Windows XP - Intel Q6600 setup

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Message 4251 - Posted 12 Aug 2008 20:17:24 UTC - in response to Message ID 4250 .
Last modified: 12 Aug 2008 20:49:38 UTC

12/08/2008 20:54:00|Docking@Home|[error] Checksum or signature error for logo.jpg

Yes, getting the same here.
Strange thing is: it caused all WU-downloads to fail and they won't start on crunching...
Is the screensaver using the jpg so that they can't run without it?

Edit:
I just de- and re-attached again.
This time it downloaded fine. If someone did something meanwhile, then thanx. ;-)
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Message 4252 - Posted 12 Aug 2008 20:56:04 UTC - in response to Message ID 4251 .

12/08/2008 20:54:00|Docking@Home|[error] Checksum or signature error for logo.jpg

Yes, getting the same here.
Strange thing is: it caused all WU-downloads to fail and they won't start on crunching...
Is the screensaver using the jpg so that they can't run without it?

Edit:
I just de- and re-attached again.
This time it downloaded fine. If someone did something meanwhile, then thanx. ;-)


It seems that in same cases you need to de- and re-attach a couple of times. I am monitoring the situation and sending e-mails to single volunteers, if needed.

Michela



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Message 4253 - Posted 12 Aug 2008 21:03:35 UTC

There are a lot of validation errors for Windows-WU? Whats the reason for this?

Will I waste my CPU-Power?

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Message 4255 - Posted 12 Aug 2008 21:44:37 UTC - in response to Message ID 4253 .

There are a lot of validation errors for Windows-WU? Whats the reason for this?

Will I waste my CPU-Power?



Hi,

I just updated this thread in which I reported about this problem that we have since today: http://docking.cis.udel.edu/forum_thread.php?id=323

We think we understand the reason and we have done some changes to fix the problem. We are monitoring the system. In the meanwhile, please feel free to detach from D@H and donate your cycles to a more robust project. We will contact you as soon as we are in beta.

Thanks,

Michela




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Message 4256 - Posted 12 Aug 2008 21:51:09 UTC - in response to Message ID 4255 .

There are a lot of validation errors for Windows-WU? Whats the reason for this?

Will I waste my CPU-Power?



Hi,

I just updated this thread in which I reported about this problem that we have since today: http://docking.cis.udel.edu/forum_thread.php?id=323

We think we understand the reason and we have done some changes to fix the problem. We are monitoring the system. In the meanwhile, please feel free to detach from D@H and donate your cycles to a more robust project. We will contact you as soon as we are in beta.

Thanks,

Michela



PS: We are working hard to get D@H in Beta very soon :-) Thanks again for all your great support!

Michela

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Message 4257 - Posted 13 Aug 2008 6:21:10 UTC

Will Macs be able to join the party any time soon? Anything we could do to help bring that about?

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Message 4258 - Posted 13 Aug 2008 10:54:23 UTC

Hello Michela,

thank you for the quick response.

I have aborted the WUs from yesterday on my Vista-PC and after downloading new WUs everything is okay now.

It seems that you update had solved that problem. Good job.

Message boards : Number crunching : New CHARMM version and work-units

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