Workunit 31589737

name shp2_A21_A16_r0_3-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND4549
application ATM: Free energy calculations of protein-ligand binding
created 7 May 2026, 10:46:45 UTC
minimum quorum 1
initial replication 1
max # of error/total/success tasks 7, 10, 6
errors Too many errors (may have bug)
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StatusRun time
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CPU time
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CreditApplication
38643121 638078 7 May 2026, 10:46:58 UTC 7 May 2026, 11:05:35 UTC Error while computing 94.80 35.14 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643193 613873 7 May 2026, 11:05:53 UTC 7 May 2026, 11:30:49 UTC Error while computing 168.12 81.97 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643244 648741 7 May 2026, 11:30:57 UTC 12 May 2026, 11:31:48 UTC Not started by deadline - canceled 0.00 0.00 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38645081 638408 12 May 2026, 11:31:05 UTC 12 May 2026, 11:43:39 UTC Error while computing 396.70 132.17 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38645084 565740 12 May 2026, 11:43:44 UTC 12 May 2026, 22:53:09 UTC Error while computing 354.39 0.00 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38645113 644191 12 May 2026, 22:53:18 UTC 13 May 2026, 3:39:11 UTC Error while computing 126.29 54.33 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38645137 604216 13 May 2026, 3:39:28 UTC 13 May 2026, 14:53:55 UTC Error while computing 151.28 86.25 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38645158 643074 13 May 2026, 14:54:05 UTC 13 May 2026, 15:01:17 UTC Error while computing 327.63 127.97 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64


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