Workunit 31589657

name shp2_A12_A04_r0_4-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND9627
application ATM: Free energy calculations of protein-ligand binding
created 7 May 2026, 10:39:02 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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38643036 633375 7 May 2026, 10:39:08 UTC 7 May 2026, 12:08:22 UTC Error while computing 5,125.82 5,125.82 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
x86_64-pc-linux-gnu
38643304 616003 7 May 2026, 12:08:35 UTC 7 May 2026, 13:51:47 UTC Error while computing 6,149.45 5,983.69 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643429 648534 7 May 2026, 13:51:51 UTC 7 May 2026, 15:28:56 UTC Error while computing 5,617.56 5,588.09 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643540 632144 7 May 2026, 15:29:11 UTC 7 May 2026, 17:24:32 UTC Error while computing 6,677.83 6,627.77 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643679 618370 7 May 2026, 17:24:38 UTC 7 May 2026, 18:17:21 UTC Error while computing 2,953.83 2,882.63 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643733 645122 7 May 2026, 18:17:27 UTC 7 May 2026, 18:20:36 UTC Error while computing 43.36 0.11 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643741 604231 7 May 2026, 18:20:45 UTC 7 May 2026, 23:40:58 UTC Error while computing 1,126.63 1,126.63 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
38643953 156955 7 May 2026, 23:41:10 UTC 8 May 2026, 0:26:16 UTC Error while computing 2,453.41 2,273.17 --- ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64


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