Workunit 31589700

name shp2_A20_A11_r0_2-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND7882
application ATM: Free energy calculations of protein-ligand binding
created 7 May 2026, 10:43:28 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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CreditApplication
38643082 618180 7 May 2026, 10:43:38 UTC 7 May 2026, 15:56:56 UTC Error while computing 4,939.98 45.42 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643592 628466 7 May 2026, 15:57:10 UTC 7 May 2026, 18:34:17 UTC Error while computing 7,407.96 5,806.03 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643753 648066 7 May 2026, 18:34:27 UTC 8 May 2026, 2:47:18 UTC Error while computing 3,464.12 3,451.62 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38644071 546970 8 May 2026, 2:47:26 UTC 8 May 2026, 3:54:00 UTC Error while computing 2,080.95 1,985.92 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38644097 610949 8 May 2026, 3:54:03 UTC 8 May 2026, 5:29:52 UTC Error while computing 5,662.00 5,083.53 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38644136 651346 8 May 2026, 5:30:00 UTC 8 May 2026, 6:53:40 UTC Error while computing 178.76 125.78 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38644180 637171 8 May 2026, 6:53:47 UTC 8 May 2026, 13:38:51 UTC Error while computing 2,033.84 2,033.84 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38644345 618582 8 May 2026, 13:38:56 UTC 8 May 2026, 14:06:27 UTC Error while computing 971.61 908.11 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64


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