Task 38642720
| Name | p38_3_A02_A10_r0_1-QUICO_ATM_OpenFF_NAGL_p38_3-5-6-RND5878_0 |
| Workunit | 31589386 |
| Created | 6 May 2026, 19:45:23 UTC |
| Sent | 6 May 2026, 19:45:28 UTC |
| Report deadline | 11 May 2026, 19:45:28 UTC |
| Received | 7 May 2026, 20:44:05 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 606123 |
| Run time | 9 hours 9 min 40 sec |
| CPU time | 9 hours 9 min 40 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 29,773.00 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 683.30 MB |
| Peak swap size | 9.99 GB |
| Peak disk usage | 3.12 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
07:00:17 (21836): wrapper (7.9.26016): starting
07:00:17 (21836): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A02_A10_0.pdb
QB_A02_A10_0.xml
QB_A02_A10.inpcrd
QB_A02_A10_input.yaml
QB_A02_A10.pdb
QB_A02_A10.prmtop
QB_A02_A10_sys.xml
run.bat
run.sh
07:00:18 (21836): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:00:18 (21836): 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\26\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\26\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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835236} normal block at 0x0000026852E35990, 8 bytes long.
Data: < {Th > 00 00 7B 54 68 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833952} normal block at 0x0000026854A38060, 1080 bytes long.
Data: <0= 0 > 30 3D 00 00 CD CD CD CD 30 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x0000026852E40F70, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
09:13:29 (14388): wrapper (7.9.26016): starting
09:13:29 (14388): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
®¤¯ ¯ª  ¨«¨ ä ©« C:\ProgramData\BOINC\slots\26\tmp 㦥 áãé¥áâ¢ã¥â.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849919} normal block at 0x000001227A4D6640, 8 bytes long.
Data: < Fz" > 00 00 46 7A 22 01 00 00
..\lib\diagnostics_win.cpp(417) : {3848635} normal block at 0x000001227C167260, 1080 bytes long.
Data: <t( 4 > 74 28 00 00 CD CD CD CD 34 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000001227A4E01A0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
11:37:46 (2088): wrapper (7.9.26016): starting
11:37:46 (2088): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
®¤¯ ¯ª  ¨«¨ ä ©« C:\ProgramData\BOINC\slots\26\tmp 㦥 áãé¥áâ¢ã¥â.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849919} normal block at 0x00000198FACF5CE0, 8 bytes long.
Data: < > 00 00 82 FC 98 01 00 00
..\lib\diagnostics_win.cpp(417) : {3848635} normal block at 0x00000198FACE63D0, 1080 bytes long.
Data: <, @ > 2C 08 00 00 CD CD CD CD 40 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x00000198FACFEBB0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
16:27:37 (12960): wrapper (7.9.26016): starting
16:27:37 (12960): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
®¤¯ ¯ª  ¨«¨ ä ©« C:\ProgramData\BOINC\slots\26\tmp 㦥 áãé¥áâ¢ã¥â.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849919} normal block at 0x000002A04A545C70, 8 bytes long.
Data: < IJ > 00 00 49 4A A0 02 00 00
..\lib\diagnostics_win.cpp(417) : {3848635} normal block at 0x000002A04C1810D0, 1080 bytes long.
Data: <8[ H > 38 5B 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000002A04A54ED80, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
21:15:05 (15988): wrapper (7.9.26016): starting
21:15:05 (15988): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
®¤¯ ¯ª  ¨«¨ ä ©« C:\ProgramData\BOINC\slots\26\tmp 㦥 áãé¥áâ¢ã¥â.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849919} normal block at 0x0000016EB73E65F0, 8 bytes long.
Data: < 4 n > 00 00 34 B7 6E 01 00 00
..\lib\diagnostics_win.cpp(417) : {3848635} normal block at 0x0000016EB73D63D0, 1080 bytes long.
Data: <@K h > 40 4B 00 00 CD CD CD CD 68 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x0000016EB73EEBB0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
23:41:23 (14228): wrapper (7.9.26016): starting
23:41:23 (14228): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
®¤¯ ¯ª  ¨«¨ ä ©« C:\ProgramData\BOINC\slots\26\tmp 㦥 áãé¥áâ¢ã¥â.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
tar: run.log: file changed as we read it
23:43:29 (14228): C:/Windows/system32/cmd.exe exited; CPU time 89.578125
23:43:29 (14228): called boinc_finish(0)
0 bytes in 0 Free Blocks.
616 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: 1706321 bytes.
Dumping objects ->
{3850008} normal block at 0x00000269547B3020, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3849997} normal block at 0x00000269547B31E0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3849986} normal block at 0x00000269547B3A30, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3849975} normal block at 0x00000269547B2D80, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3849964} normal block at 0x00000269547B2FB0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3849933} normal block at 0x00000269562D8C80, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3849922} normal block at 0x000002695637E370, 180 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) : {3849919} normal block at 0x0000026954785C60, 8 bytes long.
Data: < Vi > 00 00 0E 56 69 02 00 00
{3849269} normal block at 0x000002695637E550, 180 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3848636} normal block at 0x0000026954785A30, 8 bytes long.
Data: < ÷7Vi > 10 F7 37 56 69 02 00 00
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000002695478E370, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000002695478F3F0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{292} normal block at 0x00000269547901C0, 16 bytes long.
Data: < yTi > 88 09 79 54 69 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000002695478FE50, 16 bytes long.
Data: <` yTi > 60 09 79 54 69 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000026954789F30, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{289} normal block at 0x000002695478FC20, 16 bytes long.
Data: <8 yTi > 38 09 79 54 69 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002695478FEF0, 16 bytes long.
Data: < yTi > 10 09 79 54 69 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002695478FD60, 16 bytes long.
Data: <è yTi > E8 08 79 54 69 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000026954790170, 16 bytes long.
Data: <À yTi > C0 08 79 54 69 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000269547885A0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{284} normal block at 0x000002695478F540, 16 bytes long.
Data: < óxTi > 88 F3 78 54 69 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002695478A530, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{282} normal block at 0x000002695478F5E0, 16 bytes long.
Data: <`óxTi > 60 F3 78 54 69 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002695478F680, 16 bytes long.
Data: <8óxTi > 38 F3 78 54 69 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002695478FBD0, 16 bytes long.
Data: < óxTi > 10 F3 78 54 69 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002695478F590, 16 bytes long.
Data: <èòxTi > E8 F2 78 54 69 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002695478F4F0, 16 bytes long.
Data: <ÀòxTi > C0 F2 78 54 69 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000026954790350, 16 bytes long.
Data: < òxTi > 98 F2 78 54 69 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002695478A2F0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{274} normal block at 0x0000026954790300, 16 bytes long.
Data: <pòxTi > 70 F2 78 54 69 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002695478F270, 320 bytes long.
Data: < yTi ð¢xTi > 00 03 79 54 69 02 00 00 F0 A2 78 54 69 02 00 00
{272} normal block at 0x00000269547900D0, 16 bytes long.
Data: <  yTi > A0 08 79 54 69 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002695478FB30, 16 bytes long.
Data: <x yTi > 78 08 79 54 69 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002695478A110, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{269} normal block at 0x0000026954790260, 16 bytes long.
Data: <P yTi > 50 08 79 54 69 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002695478A3B0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{267} normal block at 0x000002695478FAE0, 16 bytes long.
Data: < yTi > 98 07 79 54 69 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002695478FFE0, 16 bytes long.
Data: <p yTi > 70 07 79 54 69 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002695478FA90, 16 bytes long.
Data: <H yTi > 48 07 79 54 69 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002695478F6D0, 16 bytes long.
Data: < yTi > 20 07 79 54 69 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002695478FB80, 16 bytes long.
Data: <ø yTi > F8 06 79 54 69 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000026954790440, 16 bytes long.
Data: <Ð yTi > D0 06 79 54 69 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000002695478FA40, 16 bytes long.
Data: <۠xTi > 80 86 78 54 69 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000026954788680, 40 bytes long.
Data: <@úxTi €Œ-Vi > 40 FA 78 54 69 02 00 00 80 8C 2D 56 69 02 00 00
{258} normal block at 0x000002695478F950, 16 bytes long.
Data: <° yTi > B0 06 79 54 69 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x00000269547903F0, 16 bytes long.
Data: < yTi > 88 06 79 54 69 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000002695478A6B0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{255} normal block at 0x000002695478FCC0, 16 bytes long.
Data: <` yTi > 60 06 79 54 69 02 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x0000026954790660, 992 bytes long.
Data: <ÀüxTi °¦xTi > C0 FC 78 54 69 02 00 00 B0 A6 78 54 69 02 00 00
{90} normal block at 0x000002695478A4D0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{89} normal block at 0x00000269547862F0, 16 bytes long.
Data: <‚xTi > 90 82 78 54 69 02 00 00 00 00 00 00 00 00 00 00
{88} normal block at 0x0000026954788290, 40 bytes long.
Data: <ðbxTi ФxTi > F0 62 78 54 69 02 00 00 D0 A4 78 54 69 02 00 00
{67} normal block at 0x0000026954785EE0, 16 bytes long.
Data: <€êõ]ö > 80 EA F5 5D F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000026954786160, 16 bytes long.
Data: <@éõ]ö > 40 E9 F5 5D F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000026954786700, 16 bytes long.
Data: <øWò]ö > F8 57 F2 5D F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000026954785B20, 16 bytes long.
Data: <ØWò]ö > D8 57 F2 5D F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000026954786070, 16 bytes long.
Data: <P ò]ö > 50 04 F2 5D F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000026954785FD0, 16 bytes long.
Data: <0 ò]ö > 30 04 F2 5D F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000026954786660, 16 bytes long.
Data: <à ò]ö > E0 02 F2 5D F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000269547861B0, 16 bytes long.
Data: < ò]ö > 10 04 F2 5D F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x00000269547862A0, 16 bytes long.
Data: <p ò]ö > 70 04 F2 5D F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x0000026954785E40, 16 bytes long.
Data: < Àð]ö > 18 C0 F0 5D F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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