Workunit 31589619

name shp2_A07_A24_r0_1-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND7742
application ATM: Free energy calculations of protein-ligand binding
created 7 May 2026, 10:35:21 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
38642998 640525 7 May 2026, 10:35:27 UTC 7 May 2026, 10:43:40 UTC Error while computing 88.90 49.00 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643086 635638 7 May 2026, 10:43:46 UTC 7 May 2026, 19:51:11 UTC Error while computing 219.44 144.89 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643810 615534 7 May 2026, 19:51:21 UTC 7 May 2026, 19:57:00 UTC Error while computing 250.75 137.70 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643818 648066 7 May 2026, 19:57:06 UTC 8 May 2026, 6:51:11 UTC Error while computing 99.21 51.33 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38644179 611392 8 May 2026, 6:51:18 UTC 8 May 2026, 7:31:32 UTC Error while computing 619.56 408.39 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38644203 604231 8 May 2026, 7:31:40 UTC 8 May 2026, 10:19:04 UTC Error while computing 224.05 224.05 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38644273 648916 8 May 2026, 10:19:06 UTC 8 May 2026, 17:22:11 UTC Error while computing 275.85 247.08 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38644462 652210 8 May 2026, 17:22:16 UTC 8 May 2026, 17:34:32 UTC Error while computing 644.34 613.06 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu


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