Task 38583669
| Name | HIF2A_A14_A20_r0_4-QUICO_ATM_GAFF2_LOMAP_HIF2A-3-5-RND1187_0 |
| Workunit | 31547747 |
| Created | 14 Dec 2025, 12:43:21 UTC |
| Sent | 14 Dec 2025, 12:43:24 UTC |
| Report deadline | 19 Dec 2025, 12:43:24 UTC |
| Received | 14 Dec 2025, 16:05:09 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 616901 |
| Run time | 3 hours 20 min 32 sec |
| CPU time | 3 hours 10 min 54 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 22,203.46 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 488.82 MB |
| Peak swap size | 12.54 GB |
| Peak disk usage | 3.74 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
15:45:06 (22232): wrapper (7.9.26016): starting
15:45:06 (22232): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A14_A20_0.pdb
QB_A14_A20_0.xml
QB_A14_A20_equil.pdb
QB_A14_A20.inpcrd
QB_A14_A20_input.yaml
QB_A14_A20_mdlambda.pdb
QB_A14_A20_min.pdb
QB_A14_A20_npt.pdb
QB_A14_A20.pdb
QB_A14_A20.prmtop
QB_A14_A20_sys.xml
QB_A14_A20_therm.pdb
run.bat
run.sh
15:45:07 (22232): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:45:07 (22232): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
WARNING: The script pyaml.exe is installed in 'C:\ProgramData\BOINC\slots\3\Scripts' which is not on PATH.
Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
WARNING: The scripts abfe_production.exe, abfe_structprep.exe, make_atm_system_from_amber.exe, make_atm_system_from_pdb.exe, make_atm_system_from_rcpt_lig.exe, rbfe_production.exe and rbfe_structprep.exe are installed in 'C:\ProgramData\BOINC\slots\3\Scripts' which is not on PATH.
Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
tar: run.log: file changed as we read it
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
19:04:26 (22232): C:/Windows/system32/cmd.exe exited; CPU time 11454.093750
19:04:26 (22232): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 bytes in 8 Normal Blocks.
1144 bytes in 1 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 195389713 bytes.
Dumping objects ->
{3835290} normal block at 0x000001D6F82A5300, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835279} normal block at 0x000001D6F82A5290, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835268} normal block at 0x000001D6F82A5220, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835257} normal block at 0x000001D6F82A5610, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835246} normal block at 0x000001D6F82A55A0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835215} normal block at 0x000001D6F9FD7100, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835204} normal block at 0x000001D6F82FC750, 140 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
..\api\boinc_api.cpp(309) : {3835201} normal block at 0x000001D6F829DA40, 8 bytes long.
Data: < 'øÖ > 00 00 27 F8 D6 01 00 00
{3834572} normal block at 0x000001D6F82FC410, 140 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833957} normal block at 0x000001D6F829DE00, 8 bytes long.
Data: < Ö(øÖ > 00 D6 28 F8 D6 01 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001D6F82912B0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001D6F8291A50, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{294} normal block at 0x000001D6F82A5A20, 16 bytes long.
Data: <Èk*øÖ > C8 6B 2A F8 D6 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001D6F82A6740, 16 bytes long.
Data: < k*øÖ > A0 6B 2A F8 D6 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001D6F82A0FB0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{291} normal block at 0x000001D6F82A5C50, 16 bytes long.
Data: <xk*øÖ > 78 6B 2A F8 D6 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001D6F82A61F0, 16 bytes long.
Data: <Pk*øÖ > 50 6B 2A F8 D6 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001D6F82A5F70, 16 bytes long.
Data: <(k*øÖ > 28 6B 2A F8 D6 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001D6F82A59D0, 16 bytes long.
Data: < k*øÖ > 00 6B 2A F8 D6 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001D6F82A57D0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{286} normal block at 0x000001D6F82A6100, 16 bytes long.
Data: <Xñ(øÖ > 58 F1 28 F8 D6 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001D6F82A1610, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{284} normal block at 0x000001D6F82A6470, 16 bytes long.
Data: <0ñ(øÖ > 30 F1 28 F8 D6 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001D6F82A5ED0, 16 bytes long.
Data: < ñ(øÖ > 08 F1 28 F8 D6 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001D6F82A6380, 16 bytes long.
Data: <àð(øÖ > E0 F0 28 F8 D6 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001D6F82A5FC0, 16 bytes long.
Data: <¸ð(øÖ > B8 F0 28 F8 D6 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001D6F82A5E80, 16 bytes long.
Data: < ð(øÖ > 90 F0 28 F8 D6 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001D6F82A58E0, 16 bytes long.
Data: <hð(øÖ > 68 F0 28 F8 D6 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001D6F82A1370, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{276} normal block at 0x000001D6F82A5D90, 16 bytes long.
Data: <@ð(øÖ > 40 F0 28 F8 D6 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001D6F828F040, 320 bytes long.
Data: < ]*øÖ p *øÖ > 90 5D 2A F8 D6 01 00 00 70 13 2A F8 D6 01 00 00
{274} normal block at 0x000001D6F82A5F20, 16 bytes long.
Data: <àj*øÖ > E0 6A 2A F8 D6 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001D6F82A66F0, 16 bytes long.
Data: <¸j*øÖ > B8 6A 2A F8 D6 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001D6F82A1250, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{271} normal block at 0x000001D6F82A60B0, 16 bytes long.
Data: < j*øÖ > 90 6A 2A F8 D6 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001D6F82A0C50, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{269} normal block at 0x000001D6F82A5C00, 16 bytes long.
Data: <Øi*øÖ > D8 69 2A F8 D6 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001D6F82A6560, 16 bytes long.
Data: <°i*øÖ > B0 69 2A F8 D6 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001D6F82A5BB0, 16 bytes long.
Data: < i*øÖ > 88 69 2A F8 D6 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001D6F82A6290, 16 bytes long.
Data: <`i*øÖ > 60 69 2A F8 D6 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001D6F82A5A70, 16 bytes long.
Data: <8i*øÖ > 38 69 2A F8 D6 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001D6F82A66A0, 16 bytes long.
Data: < i*øÖ > 10 69 2A F8 D6 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001D6F82A5B60, 16 bytes long.
Data: <ÀT*øÖ > C0 54 2A F8 D6 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001D6F82A54C0, 40 bytes long.
Data: <`[*øÖ qýùÖ > 60 5B 2A F8 D6 01 00 00 00 71 FD F9 D6 01 00 00
{260} normal block at 0x000001D6F82A6650, 16 bytes long.
Data: <ðh*øÖ > F0 68 2A F8 D6 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001D6F82A65B0, 16 bytes long.
Data: <Èh*øÖ > C8 68 2A F8 D6 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001D6F82A0BF0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{257} normal block at 0x000001D6F82A5AC0, 16 bytes long.
Data: < h*øÖ > A0 68 2A F8 D6 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001D6F82A68A0, 992 bytes long.
Data: <ÀZ*øÖ ð *øÖ > C0 5A 2A F8 D6 01 00 00 F0 0B 2A F8 D6 01 00 00
{92} normal block at 0x000001D6F82A1430, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{91} normal block at 0x000001D6F829D270, 16 bytes long.
Data: <pÅ(øÖ > 70 C5 28 F8 D6 01 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x000001D6F828C570, 40 bytes long.
Data: <pÒ)øÖ 0 *øÖ > 70 D2 29 F8 D6 01 00 00 30 14 2A F8 D6 01 00 00
{69} normal block at 0x000001D6F829D9F0, 16 bytes long.
Data: < 꺭÷ > 80 EA BA AD F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001D6F829D680, 16 bytes long.
Data: <@麭÷ > 40 E9 BA AD F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001D6F829D9A0, 16 bytes long.
Data: <øW·­÷ > F8 57 B7 AD F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001D6F829DD60, 16 bytes long.
Data: <ØW·­÷ > D8 57 B7 AD F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001D6F829D400, 16 bytes long.
Data: <P ·­÷ > 50 04 B7 AD F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001D6F829D4F0, 16 bytes long.
Data: <0 ·­÷ > 30 04 B7 AD F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001D6F829DA90, 16 bytes long.
Data: <à ·­÷ > E0 02 B7 AD F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001D6F829D360, 16 bytes long.
Data: < ·­÷ > 10 04 B7 AD F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001D6F829D950, 16 bytes long.
Data: <p ·­÷ > 70 04 B7 AD F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001D6F829D770, 16 bytes long.
Data: < Àµ­÷ > 18 C0 B5 AD F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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