Task 38668112
| Name | test_308-GPUGRID_TEST_ATM_40STEP_20261023-15-40-RND3323_0 |
| Workunit | 31610674 |
| Created | 25 Oct 2026, 10:41:49 UTC |
| Sent | 25 Oct 2026, 10:42:06 UTC |
| Report deadline | 30 Oct 2026, 10:42:06 UTC |
| Received | 25 Oct 2026, 16:59:34 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 643112 |
| Run time | 1 hours 5 min 19 sec |
| CPU time | 1 hours 5 min 19 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 13,171.24 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 710.83 MB |
| Peak swap size | 14.40 GB |
| Peak disk usage | 4.03 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
14:54:42 (4952): wrapper (7.9.26016): starting
14:54:42 (4952): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12_0.pdb
QB_A34_A12_0.xml
QB_A34_A12_input.yaml
QB_A34_A12.pdb
QB_A34_A12.prmtop
QB_A34_A12_sys.xml
run.bat
run.sh
14:54:48 (4952): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:54:48 (4952): 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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835186} normal block at 0x00000233B05A84C0, 8 bytes long.
Data: < K 3 > 00 00 4B B0 33 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833970} normal block at 0x00000233B248CDF0, 1080 bytes long.
Data: < > 10 8E 00 00 CD CD CD CD DC 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x00000233B05B2AD0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
15:23:43 (50376): wrapper (7.9.26016): starting
15:23:43 (50376): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
®¤¯ ¯ª  ¨«¨ ä ©« C:\ProgramData\BOINC\slots\2\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) : {1526} normal block at 0x00000201E8D059A0, 8 bytes long.
Data: < > 00 00 C4 E8 01 02 00 00
..\lib\diagnostics_win.cpp(417) : {310} normal block at 0x00000201E8D065B0, 1080 bytes long.
Data: < L > 9C A9 00 00 CD CD CD CD 4C 01 00 00 00 00 00 00
Object dump complete.
15:41:04 (43876): wrapper (7.9.26016): starting
15:41:04 (43876): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
®¤¯ ¯ª  ¨«¨ ä ©« C:\ProgramData\BOINC\slots\2\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) : {1526} normal block at 0x000001F4CB865650, 8 bytes long.
Data: < > 00 00 81 CB F4 01 00 00
..\lib\diagnostics_win.cpp(417) : {310} normal block at 0x000001F4CB866620, 1080 bytes long.
Data: < H > 9C 81 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
15:57:27 (28488): wrapper (7.9.26016): starting
15:57:27 (28488): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
®¤¯ ¯ª  ¨«¨ ä ©« C:\ProgramData\BOINC\slots\2\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) : {1526} normal block at 0x000002A491283E20, 8 bytes long.
Data: < > 00 00 19 91 A4 02 00 00
..\lib\diagnostics_win.cpp(417) : {310} normal block at 0x000002A491283630, 1080 bytes long.
Data: < & H > D4 26 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
17:20:19 (20180): wrapper (7.9.26016): starting
17:20:19 (20180): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
®¤¯ ¯ª  ¨«¨ ä ©« C:\ProgramData\BOINC\slots\2\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) : {1526} normal block at 0x00000214369E4600, 8 bytes long.
Data: < 6 > 00 00 9B 36 14 02 00 00
..\lib\diagnostics_win.cpp(417) : {310} normal block at 0x00000214369E34B0, 1080 bytes long.
Data: < H > E0 B9 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
18:21:15 (43164): wrapper (7.9.26016): starting
18:21:15 (43164): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
®¤¯ ¯ª  ¨«¨ ä ©« C:\ProgramData\BOINC\slots\2\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) : {1526} normal block at 0x00000164F4B658B0, 8 bytes long.
Data: < d > 00 00 AB F4 64 01 00 00
..\lib\diagnostics_win.cpp(417) : {310} normal block at 0x00000164F4B66920, 1080 bytes long.
Data: < H > D4 96 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
18:52:24 (49496): wrapper (7.9.26016): starting
18:52:24 (49496): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
®¤¯ ¯ª  ¨«¨ ä ©« C:\ProgramData\BOINC\slots\2\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) : {1526} normal block at 0x0000022836AA43D0, 8 bytes long.
Data: < 6( > 00 00 A3 36 28 02 00 00
..\lib\diagnostics_win.cpp(417) : {310} normal block at 0x0000022836AA34B0, 1080 bytes long.
Data: <L H > 4C E9 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
19:05:03 (20408): wrapper (7.9.26016): starting
19:05:03 (20408): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
®¤¯ ¯ª  ¨«¨ ä ©« C:\ProgramData\BOINC\slots\2\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) : {1526} normal block at 0x0000025BD8E14510, 8 bytes long.
Data: < [ > 00 00 D8 D8 5B 02 00 00
..\lib\diagnostics_win.cpp(417) : {310} normal block at 0x0000025BD8E134B0, 1080 bytes long.
Data: < { H > 90 7B 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
19:49:52 (34316): wrapper (7.9.26016): starting
19:49:52 (34316): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
®¤¯ ¯ª  ¨«¨ ä ©« C:\ProgramData\BOINC\slots\2\tmp 㦥 áãé¥áâ¢ã¥â.
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: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
19:52:16 (34316): C:/Windows/system32/cmd.exe exited; CPU time 104.187500
19:52:16 (34316): 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: 2941418 bytes.
Dumping objects ->
{1614} normal block at 0x000001FCCAD1E3C0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1603} normal block at 0x000001FCCAD1E270, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1592} normal block at 0x000001FCCAD1E820, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1581} normal block at 0x000001FCCAD1E2E0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1570} normal block at 0x000001FCCAD1E510, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1539} normal block at 0x000001FCCAD0C6A0, 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) : {1526} normal block at 0x000001FCCAD251E0, 8 bytes long.
Data: < > 00 00 83 CC FC 01 00 00
{311} normal block at 0x000001FCCAD25690, 8 bytes long.
Data: < D > A0 44 D2 CA FC 01 00 00
{302} normal block at 0x000001FCCAD0B970, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{301} normal block at 0x000001FCCAD25640, 16 bytes long.
Data: < ] > E8 5D D2 CA FC 01 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000001FCCAD24B00, 16 bytes long.
Data: < ] > C0 5D D2 CA FC 01 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000001FCCAD1D3B0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{298} normal block at 0x000001FCCAD254B0, 16 bytes long.
Data: < ] > 98 5D D2 CA FC 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001FCCAD25370, 16 bytes long.
Data: <p] > 70 5D D2 CA FC 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001FCCAD25820, 16 bytes long.
Data: <H] > 48 5D D2 CA FC 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001FCCAD257D0, 16 bytes long.
Data: < ] > 20 5D D2 CA FC 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001FCCAD1E4A0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{293} normal block at 0x000001FCCAD255A0, 16 bytes long.
Data: < > A8 D6 D0 CA FC 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001FCCAD1D4D0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{291} normal block at 0x000001FCCAD25190, 16 bytes long.
Data: < > 80 D6 D0 CA FC 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001FCCAD24E20, 16 bytes long.
Data: <X > 58 D6 D0 CA FC 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001FCCAD25550, 16 bytes long.
Data: <0 > 30 D6 D0 CA FC 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001FCCAD24C40, 16 bytes long.
Data: < > 08 D6 D0 CA FC 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001FCCAD255F0, 16 bytes long.
Data: < > E0 D5 D0 CA FC 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001FCCAD253C0, 16 bytes long.
Data: < > B8 D5 D0 CA FC 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001FCCAD1D7D0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{283} normal block at 0x000001FCCAD25780, 16 bytes long.
Data: < > 90 D5 D0 CA FC 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001FCCAD0D590, 320 bytes long.
Data: < W > 80 57 D2 CA FC 01 00 00 D0 D7 D1 CA FC 01 00 00
{281} normal block at 0x000001FCCAD24BF0, 16 bytes long.
Data: < ] > 00 5D D2 CA FC 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001FCCAD259B0, 16 bytes long.
Data: < \ > D8 5C D2 CA FC 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001FCCAD1D5F0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{278} normal block at 0x000001FCCAD258C0, 16 bytes long.
Data: < \ > B0 5C D2 CA FC 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001FCCAD1D230, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{276} normal block at 0x000001FCCAD24C90, 16 bytes long.
Data: < [ > F8 5B D2 CA FC 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001FCCAD250F0, 16 bytes long.
Data: < [ > D0 5B D2 CA FC 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001FCCAD25730, 16 bytes long.
Data: < [ > A8 5B D2 CA FC 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001FCCAD25960, 16 bytes long.
Data: < [ > 80 5B D2 CA FC 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001FCCAD25A00, 16 bytes long.
Data: <X[ > 58 5B D2 CA FC 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001FCCAD25500, 16 bytes long.
Data: <0[ > 30 5B D2 CA FC 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001FCCAD24EC0, 16 bytes long.
Data: <0 > 30 E4 D1 CA FC 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001FCCAD1E430, 40 bytes long.
Data: < N > C0 4E D2 CA FC 01 00 00 A0 C6 D0 CA FC 01 00 00
{267} normal block at 0x000001FCCAD25050, 16 bytes long.
Data: < [ > 10 5B D2 CA FC 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001FCCAD24B50, 16 bytes long.
Data: < Z > E8 5A D2 CA FC 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001FCCAD1DB30, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{264} normal block at 0x000001FCCAD256E0, 16 bytes long.
Data: < Z > C0 5A D2 CA FC 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001FCCAD25AC0, 992 bytes long.
Data: < V 0 > E0 56 D2 CA FC 01 00 00 30 DB D1 CA FC 01 00 00
{99} normal block at 0x000001FCCAD1D1D0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{98} normal block at 0x000001FCCAD188C0, 16 bytes long.
Data: < > 90 E1 D1 CA FC 01 00 00 00 00 00 00 00 00 00 00
{97} normal block at 0x000001FCCAD1E190, 40 bytes long.
Data: < > C0 88 D1 CA FC 01 00 00 D0 D1 D1 CA FC 01 00 00
{76} normal block at 0x000001FCCAD18910, 16 bytes long.
Data: < 5| > 80 EA 35 7C F7 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x000001FCCAD19270, 16 bytes long.
Data: <@ 5| > 40 E9 35 7C F7 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x000001FCCAD18870, 16 bytes long.
Data: < W2| > F8 57 32 7C F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000001FCCAD19220, 16 bytes long.
Data: < W2| > D8 57 32 7C F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001FCCAD191D0, 16 bytes long.
Data: <P 2| > 50 04 32 7C F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001FCCAD18550, 16 bytes long.
Data: <0 2| > 30 04 32 7C F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001FCCAD18BE0, 16 bytes long.
Data: < 2| > E0 02 32 7C F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001FCCAD18B40, 16 bytes long.
Data: < 2| > 10 04 32 7C F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001FCCAD184B0, 16 bytes long.
Data: <p 2| > 70 04 32 7C F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001FCCAD19180, 16 bytes long.
Data: < 0| > 18 C0 30 7C F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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