Task 38600013
| Name | PTP1B_A07_A17_r0_2-QUICO_ATM_GAFF2_NAGL_PTP1B-2-6-RND7896_1 |
| Workunit | 31554796 |
| Created | 8 Apr 2026, 23:15:05 UTC |
| Sent | 8 Apr 2026, 23:15:13 UTC |
| Report deadline | 13 Apr 2026, 23:15:13 UTC |
| Received | 9 Apr 2026, 2:37:35 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 649655 |
| Run time | 3 hours 22 min 22 sec |
| CPU time | 3 hours 23 min 38 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 19,302.65 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 632.04 MB |
| Peak swap size | 9.73 GB |
| Peak disk usage | 3.67 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
18:16:25 (21184): wrapper (7.9.26016): starting
18:16:25 (21184): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A07_A17_0.pdb
QB_A07_A17_0.xml
QB_A07_A17.inpcrd
QB_A07_A17_input.yaml
QB_A07_A17.pdb
QB_A07_A17.prmtop
QB_A07_A17_sys.xml
run.bat
run.sh
18:16:26 (21184): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:16:26 (21184): 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\25\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\25\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
21:36:53 (21184): C:/Windows/system32/cmd.exe exited; CPU time 12218.109375
21:36:53 (21184): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 180075287 bytes.
Dumping objects ->
{3835506} normal block at 0x000001EFEE3F6600, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835495} normal block at 0x000001EFEE3F6130, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835484} normal block at 0x000001EFEE3F6360, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835473} normal block at 0x000001EFEE3F60C0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835462} normal block at 0x000001EFEE3F6750, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835431} normal block at 0x000001EFF0173730, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
..\api\boinc_api.cpp(309) : {3835418} normal block at 0x000001EFEE3ED1F0, 8 bytes long.
Data: < ¥îï > 00 00 A5 EE EF 01 00 00
{3833951} normal block at 0x000001EFEE3ED970, 8 bytes long.
Data: <@Õ=îï > 40 D5 3D EE EF 01 00 00
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000001EFEE3E1470, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001EFEE3E1BD0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{291} normal block at 0x000001EFEE3F5090, 16 bytes long.
Data: < _?îï > 08 5F 3F EE EF 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001EFEE3F4F50, 16 bytes long.
Data: <à^?îï > E0 5E 3F EE EF 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001EFEE3F0660, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{288} normal block at 0x000001EFEE3F4AA0, 16 bytes long.
Data: <¸^?îï > B8 5E 3F EE EF 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001EFEE3F4F00, 16 bytes long.
Data: < ^?îï > 90 5E 3F EE EF 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001EFEE3F4EB0, 16 bytes long.
Data: <h^?îï > 68 5E 3F EE EF 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001EFEE3F4DC0, 16 bytes long.
Data: <@^?îï > 40 5E 3F EE EF 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001EFEE3F63D0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{283} normal block at 0x000001EFEE3F4D70, 16 bytes long.
Data: < ð=îï > 98 F0 3D EE EF 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001EFEE3F10E0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{281} normal block at 0x000001EFEE3F4BE0, 16 bytes long.
Data: <pð=îï > 70 F0 3D EE EF 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001EFEE3F5400, 16 bytes long.
Data: <Hð=îï > 48 F0 3D EE EF 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001EFEE3F4D20, 16 bytes long.
Data: < ð=îï > 20 F0 3D EE EF 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001EFEE3F4CD0, 16 bytes long.
Data: <øï=îï > F8 EF 3D EE EF 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001EFEE3F5130, 16 bytes long.
Data: <Ðï=îï > D0 EF 3D EE EF 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001EFEE3F4820, 16 bytes long.
Data: <¨ï=îï > A8 EF 3D EE EF 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001EFEE3F1020, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{273} normal block at 0x000001EFEE3F4960, 16 bytes long.
Data: < ï=îï > 80 EF 3D EE EF 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001EFEE3DEF80, 320 bytes long.
Data: <`I?îï ?îï > 60 49 3F EE EF 01 00 00 20 10 3F EE EF 01 00 00
{271} normal block at 0x000001EFEE3F4C80, 16 bytes long.
Data: < ^?îï > 20 5E 3F EE EF 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001EFEE3F53B0, 16 bytes long.
Data: <ø]?îï > F8 5D 3F EE EF 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001EFEE3F0A80, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{268} normal block at 0x000001EFEE3F5770, 16 bytes long.
Data: <Ð]?îï > D0 5D 3F EE EF 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001EFEE3F04E0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{266} normal block at 0x000001EFEE3F4870, 16 bytes long.
Data: < ]?îï > 18 5D 3F EE EF 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001EFEE3F4E60, 16 bytes long.
Data: <ð\?îï > F0 5C 3F EE EF 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001EFEE3F5720, 16 bytes long.
Data: <È\?îï > C8 5C 3F EE EF 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001EFEE3F4FF0, 16 bytes long.
Data: < \?îï > A0 5C 3F EE EF 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001EFEE3F5360, 16 bytes long.
Data: <x\?îï > 78 5C 3F EE EF 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001EFEE3F52C0, 16 bytes long.
Data: <P\?îï > 50 5C 3F EE EF 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001EFEE3F5630, 16 bytes long.
Data: < ì=îï > 80 EC 3D EE EF 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001EFEE3DEC80, 40 bytes long.
Data: <0V?îï 07 ðï > 30 56 3F EE EF 01 00 00 30 37 17 F0 EF 01 00 00
{257} normal block at 0x000001EFEE3F55E0, 16 bytes long.
Data: <0\?îï > 30 5C 3F EE EF 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001EFEE3F51D0, 16 bytes long.
Data: < \?îï > 08 5C 3F EE EF 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000001EFEE3F0D80, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{254} normal block at 0x000001EFEE3F4FA0, 16 bytes long.
Data: <à[?îï > E0 5B 3F EE EF 01 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x000001EFEE3F5BE0, 992 bytes long.
Data: < O?îï ?îï > A0 4F 3F EE EF 01 00 00 80 0D 3F EE EF 01 00 00
{89} normal block at 0x000001EFEE3F1320, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{88} normal block at 0x000001EFEE3ED920, 16 bytes long.
Data: <@Ä=îï > 40 C4 3D EE EF 01 00 00 00 00 00 00 00 00 00 00
{87} normal block at 0x000001EFEE3DC440, 40 bytes long.
Data: < Ù>îï ?îï > 20 D9 3E EE EF 01 00 00 20 13 3F EE EF 01 00 00
{66} normal block at 0x000001EFEE3ED1A0, 16 bytes long.
Data: < ê& ö > 80 EA 26 90 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001EFEE3ECF20, 16 bytes long.
Data: <@é& ö > 40 E9 26 90 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001EFEE3ED470, 16 bytes long.
Data: <øW# ö > F8 57 23 90 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001EFEE3ED010, 16 bytes long.
Data: <ØW# ö > D8 57 23 90 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001EFEE3ED240, 16 bytes long.
Data: <P # ö > 50 04 23 90 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001EFEE3ED100, 16 bytes long.
Data: <0 # ö > 30 04 23 90 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001EFEE3ED420, 16 bytes long.
Data: <à # ö > E0 02 23 90 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001EFEE3EDB50, 16 bytes long.
Data: < # ö > 10 04 23 90 F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001EFEE3EDCE0, 16 bytes long.
Data: <p # ö > 70 04 23 90 F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000001EFEE3ED3D0, 16 bytes long.
Data: < À! ö > 18 C0 21 90 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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