Task 38655370
| Name | test_112-GPUGRID_TEST_ATM_40STEP_20261023-6-40-RND1505_0 |
| Workunit | 31599125 |
| Created | 24 Oct 2026, 9:33:35 UTC |
| Sent | 24 Oct 2026, 9:34:04 UTC |
| Report deadline | 29 Oct 2026, 9:34:04 UTC |
| Received | 25 Oct 2026, 10:42:06 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 643112 |
| Run time | 1 hours 3 min 56 sec |
| CPU time | 1 hours 3 min 56 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 | 701.30 MB |
| Peak swap size | 14.40 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
14:33:31 (46532): wrapper (7.9.26016): starting
14:33:31 (46532): 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
14:33:42 (46532): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:33:42 (46532): 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\3\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\3\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 0x000002D93E477F70, 8 bytes long.
Data: < => > 00 00 3D 3E D9 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833970} normal block at 0x000002D93E55E580, 1080 bytes long.
Data: < 6 x > 18 36 00 00 CD CD CD CD 78 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x000002D93E482AD0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
15:16:40 (30524): wrapper (7.9.26016): starting
15:16:40 (30524): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
®¤¯ ¯ª  ¨«¨ ä ©« C:\ProgramData\BOINC\slots\3\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 0x00000205E89341A0, 8 bytes long.
Data: < > 00 00 88 E8 05 02 00 00
..\lib\diagnostics_win.cpp(417) : {310} normal block at 0x00000205E89334B0, 1080 bytes long.
Data: < H > E4 14 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
15:23:34 (16820): wrapper (7.9.26016): starting
15:23:34 (16820): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
®¤¯ ¯ª  ¨«¨ ä ©« C:\ProgramData\BOINC\slots\3\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 0x0000020857E43D40, 8 bytes long.
Data: < W > 00 00 DD 57 08 02 00 00
..\lib\diagnostics_win.cpp(417) : {310} normal block at 0x0000020857E434B0, 1080 bytes long.
Data: < = H > D8 3D 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
15:34:24 (30548): wrapper (7.9.26016): starting
15:34:24 (30548): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
®¤¯ ¯ª  ¨«¨ ä ©« C:\ProgramData\BOINC\slots\3\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 0x0000023D27304440, 8 bytes long.
Data: < *'= > 00 00 2A 27 3D 02 00 00
..\lib\diagnostics_win.cpp(417) : {310} normal block at 0x0000023D27304DC0, 1080 bytes long.
Data: < L > 18 B0 00 00 CD CD CD CD 4C 01 00 00 00 00 00 00
Object dump complete.
17:45:08 (51820): wrapper (7.9.26016): starting
17:45:08 (51820): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
®¤¯ ¯ª  ¨«¨ ä ©« C:\ProgramData\BOINC\slots\3\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 0x0000020AD2643B50, 8 bytes long.
Data: < _ > 00 00 5F D2 0A 02 00 00
..\lib\diagnostics_win.cpp(417) : {310} normal block at 0x0000020AD2645240, 1080 bytes long.
Data: < H > 90 A3 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
19:38:20 (8476): wrapper (7.9.26016): starting
19:38:20 (8476): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
®¤¯ ¯ª  ¨«¨ ä ©« C:\ProgramData\BOINC\slots\3\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 0x000001D6EE2849B0, 8 bytes long.
Data: < > 00 00 20 EE D6 01 00 00
..\lib\diagnostics_win.cpp(417) : {310} normal block at 0x000001D6EE283450, 1080 bytes long.
Data: < \ > B0 BC 00 00 CD CD CD CD 5C 01 00 00 00 00 00 00
Object dump complete.
20:41:55 (36944): wrapper (7.9.26016): starting
20:41:55 (36944): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
®¤¯ ¯ª  ¨«¨ ä ©« C:\ProgramData\BOINC\slots\3\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 0x000001DC10566260, 8 bytes long.
Data: < H > 00 00 48 10 DC 01 00 00
..\lib\diagnostics_win.cpp(417) : {310} normal block at 0x000001DC10565520, 1080 bytes long.
Data: < H > AC 92 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
22:32:20 (19592): wrapper (7.9.26016): starting
22:32:20 (19592): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
®¤¯ ¯ª  ¨«¨ ä ©« C:\ProgramData\BOINC\slots\3\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 0x000001FCCA3E3A20, 8 bytes long.
Data: < ; > 00 00 3B CA FC 01 00 00
..\lib\diagnostics_win.cpp(417) : {310} normal block at 0x000001FCCA3E4EE0, 1080 bytes long.
Data: < ` > 04 96 00 00 CD CD CD CD 60 01 00 00 00 00 00 00
Object dump complete.
03:00:09 (27120): wrapper (7.9.26016): starting
03:00:09 (27120): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
®¤¯ ¯ª  ¨«¨ ä ©« C:\ProgramData\BOINC\slots\3\tmp 㦥 áãé¥áâ¢ã¥â.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
13:30:14 (57084): wrapper (7.9.26016): starting
13:30:14 (57084): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
®¤¯ ¯ª  ¨«¨ ä ©« C:\ProgramData\BOINC\slots\3\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
13:35:55 (57084): C:/Windows/system32/cmd.exe exited; CPU time 287.687500
13:35:55 (57084): 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: 6902430 bytes.
Dumping objects ->
{1614} normal block at 0x000001992AE8D840, 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 0x000001992AE8D7D0, 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 0x000001992AE8D610, 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 0x000001992AE8DA70, 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 0x000001992AE8D6F0, 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 0x000001992AE7C470, 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 0x000001992AE93FC0, 8 bytes long.
Data: < , > 00 00 99 2C 99 01 00 00
{311} normal block at 0x000001992AE94790, 8 bytes long.
Data: < 4 * > B0 34 E9 2A 99 01 00 00
{302} normal block at 0x000001992AE8EDC0, 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 0x000001992AE94920, 16 bytes long.
Data: < Q * > F8 51 E9 2A 99 01 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000001992AE93C50, 16 bytes long.
Data: < Q * > D0 51 E9 2A 99 01 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000001992AE8CEE0, 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 0x000001992AE94880, 16 bytes long.
Data: < Q * > A8 51 E9 2A 99 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001992AE94830, 16 bytes long.
Data: < Q * > 80 51 E9 2A 99 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001992AE94650, 16 bytes long.
Data: <XQ * > 58 51 E9 2A 99 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001992AE93F70, 16 bytes long.
Data: <0Q * > 30 51 E9 2A 99 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001992AE8D760, 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 0x000001992AE949C0, 16 bytes long.
Data: < * > B8 C7 E7 2A 99 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001992AE8CE80, 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 0x000001992AE94970, 16 bytes long.
Data: < * > 90 C7 E7 2A 99 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001992AE943D0, 16 bytes long.
Data: <h * > 68 C7 E7 2A 99 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001992AE94A10, 16 bytes long.
Data: <@ * > 40 C7 E7 2A 99 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001992AE94330, 16 bytes long.
Data: < * > 18 C7 E7 2A 99 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001992AE93F20, 16 bytes long.
Data: < * > F0 C6 E7 2A 99 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001992AE94010, 16 bytes long.
Data: < * > C8 C6 E7 2A 99 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001992AE8CE20, 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 0x000001992AE94510, 16 bytes long.
Data: < * > A0 C6 E7 2A 99 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001992AE7C6A0, 320 bytes long.
Data: < E * * > 10 45 E9 2A 99 01 00 00 20 CE E8 2A 99 01 00 00
{281} normal block at 0x000001992AE93BB0, 16 bytes long.
Data: < Q * > 10 51 E9 2A 99 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001992AE94380, 16 bytes long.
Data: < P * > E8 50 E9 2A 99 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001992AE8D240, 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 0x000001992AE93B10, 16 bytes long.
Data: < P * > C0 50 E9 2A 99 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001992AE8CDC0, 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 0x000001992AE947E0, 16 bytes long.
Data: < P * > 08 50 E9 2A 99 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001992AE945B0, 16 bytes long.
Data: < O * > E0 4F E9 2A 99 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001992AE93D40, 16 bytes long.
Data: < O * > B8 4F E9 2A 99 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001992AE94290, 16 bytes long.
Data: < O * > 90 4F E9 2A 99 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001992AE93C00, 16 bytes long.
Data: <hO * > 68 4F E9 2A 99 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001992AE93CF0, 16 bytes long.
Data: <@O * > 40 4F E9 2A 99 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001992AE94240, 16 bytes long.
Data: < * > 80 D6 E8 2A 99 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001992AE8D680, 40 bytes long.
Data: <@B * p * > 40 42 E9 2A 99 01 00 00 70 C4 E7 2A 99 01 00 00
{267} normal block at 0x000001992AE941F0, 16 bytes long.
Data: < O * > 20 4F E9 2A 99 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001992AE94470, 16 bytes long.
Data: < N * > F8 4E E9 2A 99 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001992AE8C5E0, 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 0x000001992AE93DE0, 16 bytes long.
Data: < N * > D0 4E E9 2A 99 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001992AE94ED0, 992 bytes long.
Data: < = * * > E0 3D E9 2A 99 01 00 00 E0 C5 E8 2A 99 01 00 00
{99} normal block at 0x000001992AE8CAC0, 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 0x000001992AE881F0, 16 bytes long.
Data: < * > 00 DA E8 2A 99 01 00 00 00 00 00 00 00 00 00 00
{97} normal block at 0x000001992AE8DA00, 40 bytes long.
Data: < * * > F0 81 E8 2A 99 01 00 00 C0 CA E8 2A 99 01 00 00
{76} normal block at 0x000001992AE880B0, 16 bytes long.
Data: < > 80 EA E9 E9 F6 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x000001992AE87DE0, 16 bytes long.
Data: <@ > 40 E9 E9 E9 F6 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x000001992AE877A0, 16 bytes long.
Data: < W > F8 57 E6 E9 F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000001992AE88510, 16 bytes long.
Data: < W > D8 57 E6 E9 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001992AE88470, 16 bytes long.
Data: <P > 50 04 E6 E9 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001992AE88060, 16 bytes long.
Data: <0 > 30 04 E6 E9 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001992AE87AC0, 16 bytes long.
Data: < > E0 02 E6 E9 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001992AE87A70, 16 bytes long.
Data: < > 10 04 E6 E9 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001992AE87CA0, 16 bytes long.
Data: <p > 70 04 E6 E9 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001992AE876B0, 16 bytes long.
Data: < > 18 C0 E4 E9 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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