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World Community Grid Forums
Category: Completed Research
Forum: Computing for Clean Water Forum
Thread: ERROR: Out of range atoms - cannot compute PPPM |
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Thread Status: Active Total posts in this thread: 2
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Former Member
Cruncher Joined: May 22, 2018 Post Count: 0 Status: Offline |
Ever since the server upgrade I have been getting some errors on a machine that has never had errors before. I wonder if it is something unique to my computer or if others are getting more than usual errors for c4cw ?
Almost all errors say "ERROR: Out of range atoms - cannot compute PPPM" Here is an example of a result log... Result Name: c4cw_ target05_ 158236877_ 0-- <core_client_version>6.10.58</core_client_version> <![CDATA[ <message> process exited with code 1 (0x1, -255) </message> <stderr_txt> Commandline = ../../projects/www.worldcommunitygrid.org/wcg_c4cw_lmps_6.41_x86_64-pc-linux-gnu -screen none -in in.wcg.acc -var wcgsteps1 10000 -var wcgsteps2 10000 -var loop 0 -var restart 0 -var rinterval 100 -var ifile in.wcg.acc -var wcgseed 158236877 [05:11:47] Percent complete = 0.499975 [05:12:28] Percent complete = 0.999950 [05:13:10] Percent complete = 1.499925 ERROR: Out of range atoms - cannot compute PPPM </stderr_txt> ]]> |
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Viktors
Former World Community Grid Tech Joined: Sep 20, 2004 Post Count: 653 Status: Offline Project Badges: 
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The researchers report that this can happen occasionally with the LAMMPS code. This apparently happens when the random number generator causes an unreasonable velocity distribution to be computed, causing the system energy to get too high. This happens rather rarely and the solution is to run another work unit with a different random number seed, which we do anyway. We are not certain when a more graceful handling of this condition in LAMMPS will be available. In the meantime, sorry for the problem and we do thank you for your continued patience and support of the project.
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