All tasks for computer 462662



State: All (10) · In progress (0) · Validation pending (0) · Validation inconclusive (0) · Valid (0) · Invalid (0) · Error (10)
Application: All (10) · ACEMD 3: molecular dynamics simulations for GPUs (0) · ATM: Free energy calculations of protein-ligand binding (0) · ATMbeta: Free energy calculations of protein-ligand binding (0) · ATMML: Free energy with neural networks (0) · LLM: LLMs for chemistry (0) · LLMS: LLMs for chemistry (Small) (0) · Quantum chemistry calculations on GPU (10)
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inputs_ace_pch_ms_gc_filt_af05_index_13068_to_13071-SFARR_PYSCF_ace_pch_ms_gc_filt_af05_v2-0-1-RND7557_0 27675367 1 Feb 2024, 14:39:41 UTC 1 Feb 2024, 17:52:58 UTC Error while computing 986.55 963.02 --- Quantum chemistry calculations on GPU v1.04 (cuda1121)
x86_64-pc-linux-gnu
inputs_ace_pch_ms_gc_filt_af05_index_23916_to_23919-SFARR_PYSCF_ace_pch_ms_gc_filt_af05_v2-0-1-RND1153_6 27678144 2 Feb 2024, 12:09:46 UTC 2 Feb 2024, 12:27:47 UTC Error while computing 857.42 834.81 --- Quantum chemistry calculations on GPU v1.04 (cuda1121)
x86_64-pc-linux-gnu
inputs_ace_pch_ms_gc_filt_af05_index_24220_to_24223-SFARR_PYSCF_ace_pch_ms_gc_filt_af05_v2-0-1-RND8795_0 27678220 2 Feb 2024, 9:09:41 UTC 2 Feb 2024, 9:30:00 UTC Error while computing 970.40 947.64 --- Quantum chemistry calculations on GPU v1.04 (cuda1121)
x86_64-pc-linux-gnu
inputs_ace_pch_ms_gc_filt_af05_index_24236_to_24239-SFARR_PYSCF_ace_pch_ms_gc_filt_af05_v2-0-1-RND6910_0 27678224 2 Feb 2024, 9:14:27 UTC 2 Feb 2024, 9:48:37 UTC Error while computing 1,122.46 1,097.89 --- Quantum chemistry calculations on GPU v1.04 (cuda1121)
x86_64-pc-linux-gnu
inputs_ace_pch_ms_gc_filt_af05_index_24608_to_24611-SFARR_PYSCF_ace_pch_ms_gc_filt_af05_v2-0-1-RND3516_5 27678317 2 Feb 2024, 11:54:40 UTC 2 Feb 2024, 12:14:12 UTC Error while computing 100.11 51.31 --- Quantum chemistry calculations on GPU v1.04 (cuda1121)
x86_64-pc-linux-gnu
inputs_ace_pch_ms_gc_filt_af05_index_24708_to_24711-SFARR_PYSCF_ace_pch_ms_gc_filt_af05_v2-0-1-RND5007_1 27678343 2 Feb 2024, 10:57:45 UTC 2 Feb 2024, 11:38:35 UTC Error while computing 107.13 60.92 --- Quantum chemistry calculations on GPU v1.04 (cuda1121)
x86_64-pc-linux-gnu
inputs_ace_pch_ms_gc_filt_af05_index_24724_to_24727-SFARR_PYSCF_ace_pch_ms_gc_filt_af05_v2-0-1-RND3683_3 27678347 2 Feb 2024, 11:39:40 UTC 2 Feb 2024, 11:48:12 UTC Error while computing 90.71 40.93 --- Quantum chemistry calculations on GPU v1.04 (cuda1121)
x86_64-pc-linux-gnu
inputs_ace_pch_ms_gc_filt_af05_index_24748_to_24751-SFARR_PYSCF_ace_pch_ms_gc_filt_af05_v2-0-1-RND5874_6 27678353 2 Feb 2024, 12:24:42 UTC 2 Feb 2024, 12:32:04 UTC Error while computing 107.74 61.04 --- Quantum chemistry calculations on GPU v1.04 (cuda1121)
x86_64-pc-linux-gnu
inputs_ace_pch_ms_gc_filt_af05_index_24892_to_24895-SFARR_PYSCF_ace_pch_ms_gc_filt_af05_v2-0-1-RND0397_2 27678389 2 Feb 2024, 12:14:12 UTC 2 Feb 2024, 12:32:04 UTC Error while computing 100.20 56.24 --- Quantum chemistry calculations on GPU v1.04 (cuda1121)
x86_64-pc-linux-gnu
inputs_ace_pch_ms_gc_filt_af05_index_25260_to_25263-SFARR_PYSCF_ace_pch_ms_gc_filt_af05_v2-0-1-RND4380_1 27678481 2 Feb 2024, 11:48:12 UTC 2 Feb 2024, 11:51:51 UTC Error while computing 123.09 87.74 --- Quantum chemistry calculations on GPU v1.04 (cuda1121)
x86_64-pc-linux-gnu


State: All (10) · In progress (0) · Validation pending (0) · Validation inconclusive (0) · Valid (0) · Invalid (0) · Error (10)
Application: All (10) · ACEMD 3: molecular dynamics simulations for GPUs (0) · ATM: Free energy calculations of protein-ligand binding (0) · ATMbeta: Free energy calculations of protein-ligand binding (0) · ATMML: Free energy with neural networks (0) · LLM: LLMs for chemistry (0) · LLMS: LLMs for chemistry (Small) (0) · Quantum chemistry calculations on GPU (10)
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