Task 38610119
| Name | CDK2_A09_A10_r0_4-QUICO_ATM_OpenFF_CDK2-2-6-RND5865_0 |
| Workunit | 31563074 |
| Created | 15 Apr 2026, 6:32:43 UTC |
| Sent | 15 Apr 2026, 6:32:46 UTC |
| Report deadline | 20 Apr 2026, 6:32:46 UTC |
| Received | 15 Apr 2026, 17:56:23 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 651099 |
| Run time | 5 hours 24 min 23 sec |
| CPU time | 5 hours 15 min 30 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 29,773.77 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 780.52 MB |
| Peak swap size | 4.10 GB |
| Peak disk usage | 3.29 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
14:33:09 (4136): wrapper (7.9.26016): starting
14:33:09 (4136): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A09_A10_0.pdb
QB_A09_A10_0.xml
QB_A09_A10.inpcrd
QB_A09_A10_input.yaml
QB_A09_A10.pdb
QB_A09_A10.prmtop
QB_A09_A10_sys.xml
run.bat
run.sh
14:33:11 (4136): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:33:11 (4136): 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\2\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\2\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
19:55:55 (4136): C:/Windows/system32/cmd.exe exited; CPU time 18930.781250
19:55:55 (4136): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 284100117 bytes.
Dumping objects ->
{3835470} normal block at 0x0000024E975C93F0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835459} normal block at 0x0000024E975C9930, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835448} normal block at 0x0000024E975C9690, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835437} normal block at 0x0000024E975C9310, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835426} normal block at 0x0000024E959A5600, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835395} normal block at 0x0000024E975D9140, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835384} normal block at 0x0000024E975EF660, 102 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) : {3835381} normal block at 0x0000024E9599E720, 8 bytes long.
Data: < ••N > 00 00 95 95 4E 02 00 00
{3834660} normal block at 0x0000024E975EF9D0, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833965} normal block at 0x0000024E9599E810, 8 bytes long.
Data: <pÜ •N > 70 DC 98 95 4E 02 00 00
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x0000024E95990DF0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x0000024E95992CA0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{298} normal block at 0x0000024E959A66B0, 16 bytes long.
Data: <xqš•N > 78 71 9A 95 4E 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000024E959A6660, 16 bytes long.
Data: <Pqš•N > 50 71 9A 95 4E 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000024E959A0980, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{295} normal block at 0x0000024E959A6200, 16 bytes long.
Data: <(qš•N > 28 71 9A 95 4E 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000024E959A5EE0, 16 bytes long.
Data: < qš•N > 00 71 9A 95 4E 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000024E959A60C0, 16 bytes long.
Data: <Øpš•N > D8 70 9A 95 4E 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000024E959A5E90, 16 bytes long.
Data: <°pš•N > B0 70 9A 95 4E 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000024E959A5670, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{290} normal block at 0x0000024E959A6D90, 16 bytes long.
Data: <Ø÷ •N > D8 F7 98 95 4E 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000024E959A0680, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{288} normal block at 0x0000024E959A65C0, 16 bytes long.
Data: <°÷ •N > B0 F7 98 95 4E 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000024E959A68E0, 16 bytes long.
Data: < ÷ •N > 88 F7 98 95 4E 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000024E959A6070, 16 bytes long.
Data: <`÷ •N > 60 F7 98 95 4E 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000024E959A6570, 16 bytes long.
Data: <8÷ •N > 38 F7 98 95 4E 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000024E959A6CA0, 16 bytes long.
Data: < ÷ •N > 10 F7 98 95 4E 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000024E959A6C50, 16 bytes long.
Data: <èö •N > E8 F6 98 95 4E 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000024E959A0920, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{280} normal block at 0x0000024E959A6A20, 16 bytes long.
Data: <Àö •N > C0 F6 98 95 4E 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000024E9598F6C0, 320 bytes long.
Data: < jš•N š•N > 20 6A 9A 95 4E 02 00 00 20 09 9A 95 4E 02 00 00
{278} normal block at 0x0000024E959A6C00, 16 bytes long.
Data: < pš•N > 90 70 9A 95 4E 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000024E959A6B60, 16 bytes long.
Data: <hpš•N > 68 70 9A 95 4E 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000024E9599FCC0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{275} normal block at 0x0000024E959A64D0, 16 bytes long.
Data: <@pš•N > 40 70 9A 95 4E 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000024E959A0200, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{273} normal block at 0x0000024E959A6B10, 16 bytes long.
Data: < oš•N > 88 6F 9A 95 4E 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000024E959A6480, 16 bytes long.
Data: <`oš•N > 60 6F 9A 95 4E 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000024E959A6390, 16 bytes long.
Data: <8oš•N > 38 6F 9A 95 4E 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000024E959A6520, 16 bytes long.
Data: < oš•N > 10 6F 9A 95 4E 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000024E959A6340, 16 bytes long.
Data: <ènš•N > E8 6E 9A 95 4E 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000024E959A6A70, 16 bytes long.
Data: <Ànš•N > C0 6E 9A 95 4E 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000024E959A61B0, 16 bytes long.
Data: < Uš•N > 20 55 9A 95 4E 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000024E959A5520, 40 bytes long.
Data: <°aš•N @‘]—N > B0 61 9A 95 4E 02 00 00 40 91 5D 97 4E 02 00 00
{264} normal block at 0x0000024E959A62F0, 16 bytes long.
Data: < nš•N > A0 6E 9A 95 4E 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000024E959A6430, 16 bytes long.
Data: <xnš•N > 78 6E 9A 95 4E 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000024E9599FE40, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{261} normal block at 0x0000024E959A6BB0, 16 bytes long.
Data: <Pnš•N > 50 6E 9A 95 4E 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000024E959A6E50, 992 bytes long.
Data: <°kš•N @þ •N > B0 6B 9A 95 4E 02 00 00 40 FE 99 95 4E 02 00 00
{96} normal block at 0x0000024E9599FEA0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{95} normal block at 0x0000024E9599E2C0, 16 bytes long.
Data: <`Sš•N > 60 53 9A 95 4E 02 00 00 00 00 00 00 00 00 00 00
{94} normal block at 0x0000024E959A5360, 40 bytes long.
Data: <Àâ •N  þ •N > C0 E2 99 95 4E 02 00 00 A0 FE 99 95 4E 02 00 00
{73} normal block at 0x0000024E9599DC30, 16 bytes long.
Data: < êl6ö > 80 EA 6C 36 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000024E9599E090, 16 bytes long.
Data: <@él6ö > 40 E9 6C 36 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000024E9599DA50, 16 bytes long.
Data: <øWi6ö > F8 57 69 36 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000024E9599E680, 16 bytes long.
Data: <ØWi6ö > D8 57 69 36 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000024E9599DEB0, 16 bytes long.
Data: <P i6ö > 50 04 69 36 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000024E9599E630, 16 bytes long.
Data: <0 i6ö > 30 04 69 36 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000024E9599E7C0, 16 bytes long.
Data: <à i6ö > E0 02 69 36 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000024E9599E5E0, 16 bytes long.
Data: < i6ö > 10 04 69 36 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000024E9599DE10, 16 bytes long.
Data: <p i6ö > 70 04 69 36 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000024E9599D960, 16 bytes long.
Data: < Àg6ö > 18 C0 67 36 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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