Task 38669986
| Name | test_857-GPUGRID_TEST_ATM_40STEP_20261023-10-40-RND5272_0 |
| Workunit | 31612274 |
| Created | 25 Oct 2026, 16:07:06 UTC |
| Sent | 25 Oct 2026, 16:07:08 UTC |
| Report deadline | 30 Oct 2026, 16:07:08 UTC |
| Received | 26 Oct 2026, 11:42:52 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 643112 |
| Run time | 50 min 1 sec |
| CPU time | 48 min 43 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 | 665.25 MB |
| Peak swap size | 14.40 GB |
| Peak disk usage | 3.73 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
20:00:48 (58284): wrapper (7.9.26016): starting
20:00:48 (58284): 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
20:00:56 (58284): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:00:56 (58284): 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 0x000001A8DBE57D90, 8 bytes long.
Data: < > 00 00 D6 DB A8 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833970} normal block at 0x000001A8DDC39330, 1080 bytes long.
Data: < ( > E0 AE 00 00 CD CD CD CD 28 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x000001A8DBE62AD0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
21:16:37 (34332): wrapper (7.9.26016): starting
21:16:37 (34332): 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 0x000002440C643ED0, 8 bytes long.
Data: < D > 00 00 13 0E 44 02 00 00
..\lib\diagnostics_win.cpp(417) : {310} normal block at 0x000002440C6434B0, 1080 bytes long.
Data: <$ P > 24 99 00 00 CD CD CD CD 50 01 00 00 00 00 00 00
Object dump complete.
21:56:18 (19740): wrapper (7.9.26016): starting
21:56:18 (19740): 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 0x0000029C4F7649C0, 8 bytes long.
Data: < nO > 00 00 6E 4F 9C 02 00 00
..\lib\diagnostics_win.cpp(417) : {310} normal block at 0x0000029C4F7634B0, 1080 bytes long.
Data: < ` P > 0C 60 00 00 CD CD CD CD 50 01 00 00 00 00 00 00
Object dump complete.
23:59:30 (16632): wrapper (7.9.26016): starting
23:59:30 (16632): 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.
13:22:12 (14968): wrapper (7.9.26016): starting
13:22:12 (14968): 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 0x000001D7A7934550, 8 bytes long.
Data: < 4 > 00 00 34 A9 D7 01 00 00
..\lib\diagnostics_win.cpp(417) : {310} normal block at 0x000001D7A7935240, 1080 bytes long.
Data: < | H > C8 7C 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
13:46:00 (39676): wrapper (7.9.26016): starting
13:46:00 (39676): 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 0x000002B599594830, 8 bytes long.
Data: < L > 00 00 4C 99 B5 02 00 00
..\lib\diagnostics_win.cpp(417) : {310} normal block at 0x000002B5995934B0, 1080 bytes long.
Data: <`1 P > 60 31 00 00 CD CD CD CD 50 01 00 00 00 00 00 00
Object dump complete.
14:29:03 (39588): wrapper (7.9.26016): starting
14:29:03 (39588): 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
14:41:53 (39588): C:/Windows/system32/cmd.exe exited; CPU time 718.968750
14:41:53 (39588): 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: 18982882 bytes.
Dumping objects ->
{1614} normal block at 0x0000018EF5CCDFD0, 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 0x0000018EF5CCDEF0, 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 0x0000018EF5CCDBE0, 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 0x0000018EF5CCDE80, 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 0x0000018EF5CCE120, 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 0x0000018EF5CBB7C0, 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 0x0000018EF5CD4720, 8 bytes long.
Data: < | > 00 00 7C F7 8E 01 00 00
{311} normal block at 0x0000018EF5CD4F90, 8 bytes long.
Data: < = > A0 3D CD F5 8E 01 00 00
{302} normal block at 0x0000018EF5CBCAA0, 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 0x0000018EF5CD52B0, 16 bytes long.
Data: < V > E8 56 CD F5 8E 01 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x0000018EF5CD4E00, 16 bytes long.
Data: < V > C0 56 CD F5 8E 01 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x0000018EF5CCD850, 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 0x0000018EF5CD4F40, 16 bytes long.
Data: < V > 98 56 CD F5 8E 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000018EF5CD4DB0, 16 bytes long.
Data: <pV > 70 56 CD F5 8E 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000018EF5CD4B80, 16 bytes long.
Data: <HV > 48 56 CD F5 8E 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000018EF5CD4D60, 16 bytes long.
Data: < V > 20 56 CD F5 8E 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000018EF5CCDB00, 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 0x0000018EF5CD49F0, 16 bytes long.
Data: < > B8 C7 CB F5 8E 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000018EF5CCCF50, 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 0x0000018EF5CD4590, 16 bytes long.
Data: < > 90 C7 CB F5 8E 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000018EF5CD5260, 16 bytes long.
Data: <h > 68 C7 CB F5 8E 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000018EF5CD4EF0, 16 bytes long.
Data: <@ > 40 C7 CB F5 8E 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000018EF5CD51C0, 16 bytes long.
Data: < > 18 C7 CB F5 8E 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000018EF5CD5120, 16 bytes long.
Data: < > F0 C6 CB F5 8E 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000018EF5CD49A0, 16 bytes long.
Data: < > C8 C6 CB F5 8E 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000018EF5CCCDD0, 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 0x0000018EF5CD48B0, 16 bytes long.
Data: < > A0 C6 CB F5 8E 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000018EF5CBC6A0, 320 bytes long.
Data: < H > B0 48 CD F5 8E 01 00 00 D0 CD CC F5 8E 01 00 00
{281} normal block at 0x0000018EF5CD4B30, 16 bytes long.
Data: < V > 00 56 CD F5 8E 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000018EF5CD5210, 16 bytes long.
Data: < U > D8 55 CD F5 8E 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000018EF5CCCE90, 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 0x0000018EF5CD4CC0, 16 bytes long.
Data: < U > B0 55 CD F5 8E 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000018EF5CCD190, 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 0x0000018EF5CD4EA0, 16 bytes long.
Data: < T > F8 54 CD F5 8E 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000018EF5CD4AE0, 16 bytes long.
Data: < T > D0 54 CD F5 8E 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000018EF5CD5170, 16 bytes long.
Data: < T > A8 54 CD F5 8E 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000018EF5CD4A40, 16 bytes long.
Data: < T > 80 54 CD F5 8E 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000018EF5CD50D0, 16 bytes long.
Data: <XT > 58 54 CD F5 8E 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000018EF5CD47C0, 16 bytes long.
Data: <0T > 30 54 CD F5 8E 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000018EF5CD5080, 16 bytes long.
Data: < > B0 E0 CC F5 8E 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000018EF5CCE0B0, 40 bytes long.
Data: < P > 80 50 CD F5 8E 01 00 00 C0 B7 CB F5 8E 01 00 00
{267} normal block at 0x0000018EF5CD4FE0, 16 bytes long.
Data: < T > 10 54 CD F5 8E 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000018EF5CD4C70, 16 bytes long.
Data: < S > E8 53 CD F5 8E 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000018EF5CCD130, 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 0x0000018EF5CD4900, 16 bytes long.
Data: < S > C0 53 CD F5 8E 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000018EF5CD53C0, 992 bytes long.
Data: < I 0 > 00 49 CD F5 8E 01 00 00 30 D1 CC F5 8E 01 00 00
{99} normal block at 0x0000018EF5CCCE30, 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 0x0000018EF5CC78C0, 16 bytes long.
Data: <` > 60 DF CC F5 8E 01 00 00 00 00 00 00 00 00 00 00
{97} normal block at 0x0000018EF5CCDF60, 40 bytes long.
Data: < x 0 > C0 78 CC F5 8E 01 00 00 30 CE CC F5 8E 01 00 00
{76} normal block at 0x0000018EF5CC8720, 16 bytes long.
Data: < > 80 EA E1 A0 F7 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x0000018EF5CC84F0, 16 bytes long.
Data: <@ > 40 E9 E1 A0 F7 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x0000018EF5CC7B40, 16 bytes long.
Data: < W > F8 57 DE A0 F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x0000018EF5CC87C0, 16 bytes long.
Data: < W > D8 57 DE A0 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000018EF5CC7BE0, 16 bytes long.
Data: <P > 50 04 DE A0 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000018EF5CC86D0, 16 bytes long.
Data: <0 > 30 04 DE A0 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000018EF5CC8680, 16 bytes long.
Data: < > E0 02 DE A0 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000018EF5CC83B0, 16 bytes long.
Data: < > 10 04 DE A0 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000018EF5CC7A50, 16 bytes long.
Data: <p > 70 04 DE A0 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000018EF5CC8180, 16 bytes long.
Data: < > 18 C0 DC A0 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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