Task 38652367
| Name | test_908-GPUGRID_TEST_ATM_4STEP_20261023-3-4-RND6441_0 |
| Workunit | 31596555 |
| Created | 24 Oct 2026, 3:45:37 UTC |
| Sent | 24 Oct 2026, 4:01:18 UTC |
| Report deadline | 29 Oct 2026, 4:01:18 UTC |
| Received | 24 Oct 2026, 12:55:00 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 608883 |
| Run time | 23 min 45 sec |
| CPU time | 17 min 45 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 30,871.08 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 724.44 MB |
| Peak swap size | 8.44 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
13:08:12 (54584): wrapper (7.9.26016): starting
13:08:12 (54584): 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
13:08:27 (54584): Library/usr/bin/tar.exe exited; CPU time 0.078125
13:08:27 (54584): 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 'D:\ProgramData\BOINC\slots\1\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 'D:\ProgramData\BOINC\slots\1\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) : {3835319} normal block at 0x000001D7A5D6E640, 8 bytes long.
Data: < > 00 00 D1 A5 D7 01 00 00
..\lib\diagnostics_win.cpp(417) : {3834092} normal block at 0x000001D7A7C3E410, 1080 bytes long.
Data: < D > 94 DE 00 00 CD CD CD CD 44 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {321} normal block at 0x000001D7A5D72DE0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
18:45:43 (49556): wrapper (7.9.26016): starting
18:45:43 (49556): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
ƒTƒuƒfƒBƒŒƒNƒgƒŠ‚Ü‚½‚̓tƒ@ƒCƒ‹ D:\ProgramData\BOINC\slots\1\tmp ‚ÍŠù‚É‘¶Ý‚µ‚Ü‚·B
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1541} normal block at 0x000001FA880A6AF0, 8 bytes long.
Data: < > 00 00 06 88 FA 01 00 00
..\lib\diagnostics_win.cpp(417) : {314} normal block at 0x000001FA880A7430, 1080 bytes long.
Data: < a ` > E8 61 00 00 CD CD CD CD 60 01 00 00 00 00 00 00
Object dump complete.
19:12:52 (55752): wrapper (7.9.26016): starting
19:12:53 (55752): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
ƒTƒuƒfƒBƒŒƒNƒgƒŠ‚Ü‚½‚̓tƒ@ƒCƒ‹ D:\ProgramData\BOINC\slots\1\tmp ‚ÍŠù‚É‘¶Ý‚µ‚Ü‚·B
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1541} normal block at 0x0000020E75DF8940, 8 bytes long.
Data: < u > 00 00 DB 75 0E 02 00 00
..\lib\diagnostics_win.cpp(417) : {314} normal block at 0x0000020E75DF9C30, 1080 bytes long.
Data: < X > C4 F6 00 00 CD CD CD CD 58 01 00 00 00 00 00 00
Object dump complete.
20:17:32 (25188): wrapper (7.9.26016): starting
20:17:32 (25188): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
ƒTƒuƒfƒBƒŒƒNƒgƒŠ‚Ü‚½‚̓tƒ@ƒCƒ‹ D:\ProgramData\BOINC\slots\1\tmp ‚ÍŠù‚É‘¶Ý‚µ‚Ü‚·B
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1541} normal block at 0x00000257307B63F0, 8 bytes long.
Data: < 0W > 00 00 CB 30 57 02 00 00
..\lib\diagnostics_win.cpp(417) : {314} normal block at 0x00000257307B7460, 1080 bytes long.
Data: < m > 14 6D 00 00 CD CD CD CD C0 00 00 00 00 00 00 00
Object dump complete.
20:35:49 (13992): wrapper (7.9.26016): starting
20:35:49 (13992): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
ƒTƒuƒfƒBƒŒƒNƒgƒŠ‚Ü‚½‚̓tƒ@ƒCƒ‹ D:\ProgramData\BOINC\slots\1\tmp ‚ÍŠù‚É‘¶Ý‚µ‚Ü‚·B
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1541} normal block at 0x000002640A846800, 8 bytes long.
Data: < d > 00 00 CE 0A 64 02 00 00
..\lib\diagnostics_win.cpp(417) : {314} normal block at 0x000002640A847410, 1080 bytes long.
Data: <dX L > 64 58 00 00 CD CD CD CD 4C 01 00 00 00 00 00 00
Object dump complete.
21:14:09 (60616): wrapper (7.9.26016): starting
21:14:09 (60616): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
ƒTƒuƒfƒBƒŒƒNƒgƒŠ‚Ü‚½‚̓tƒ@ƒCƒ‹ D:\ProgramData\BOINC\slots\1\tmp ‚ÍŠù‚É‘¶Ý‚µ‚Ü‚·B
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1541} normal block at 0x0000019032916A30, 8 bytes long.
Data: < 2 > 00 00 F3 32 90 01 00 00
..\lib\diagnostics_win.cpp(417) : {314} normal block at 0x0000019032917410, 1080 bytes long.
Data: <T H > 54 D2 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
21:46:44 (65488): wrapper (7.9.26016): starting
21:46:44 (65488): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
ƒTƒuƒfƒBƒŒƒNƒgƒŠ‚Ü‚½‚̓tƒ@ƒCƒ‹ D:\ProgramData\BOINC\slots\1\tmp ‚ÍŠù‚É‘¶Ý‚µ‚Ü‚·B
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
21:50:01 (65488): C:/Windows/system32/cmd.exe exited; CPU time 155.828125
21:50:01 (65488): 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: 6359660 bytes.
Dumping objects ->
{1629} normal block at 0x0000022A9C960CA0, 48 bytes long.
Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{1618} normal block at 0x0000022A9C960DF0, 48 bytes long.
Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{1607} normal block at 0x0000022A9C960990, 48 bytes long.
Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61
{1596} normal block at 0x0000022A9C960D80, 48 bytes long.
Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{1585} normal block at 0x0000022A9C960ED0, 48 bytes long.
Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61
{1554} normal block at 0x0000022A9C9597B0, 64 bytes long.
Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
..\api\boinc_api.cpp(309) : {1541} normal block at 0x0000022A9C9664D0, 8 bytes long.
Data: < * > 00 00 03 9D 2A 02 00 00
{315} normal block at 0x0000022A9C9662F0, 8 bytes long.
Data: < t * > 00 74 96 9C 2A 02 00 00
{306} normal block at 0x0000022A9C956A90, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{305} normal block at 0x0000022A9C966AC0, 16 bytes long.
Data: < s * > 08 73 96 9C 2A 02 00 00 00 00 00 00 00 00 00 00
{304} normal block at 0x0000022A9C9662A0, 16 bytes long.
Data: < r * > E0 72 96 9C 2A 02 00 00 00 00 00 00 00 00 00 00
{303} normal block at 0x0000022A9C9607A0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{302} normal block at 0x0000022A9C966A20, 16 bytes long.
Data: < r * > B8 72 96 9C 2A 02 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x0000022A9C966840, 16 bytes long.
Data: < r * > 90 72 96 9C 2A 02 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x0000022A9C966480, 16 bytes long.
Data: <hr * > 68 72 96 9C 2A 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x0000022A9C966750, 16 bytes long.
Data: <@r * > 40 72 96 9C 2A 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000022A9C960920, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{297} normal block at 0x0000022A9C966C00, 16 bytes long.
Data: <8 * > 38 BB 94 9C 2A 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000022A9C960260, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{295} normal block at 0x0000022A9C966E80, 16 bytes long.
Data: < * > 10 BB 94 9C 2A 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000022A9C9669D0, 16 bytes long.
Data: < * > E8 BA 94 9C 2A 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000022A9C966340, 16 bytes long.
Data: < * > C0 BA 94 9C 2A 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000022A9C9661B0, 16 bytes long.
Data: < * > 98 BA 94 9C 2A 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000022A9C966A70, 16 bytes long.
Data: <p * > 70 BA 94 9C 2A 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000022A9C9667F0, 16 bytes long.
Data: <H * > 48 BA 94 9C 2A 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000022A9C960020, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{287} normal block at 0x0000022A9C966570, 16 bytes long.
Data: < * > 20 BA 94 9C 2A 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000022A9C94BA20, 320 bytes long.
Data: <pe * * > 70 65 96 9C 2A 02 00 00 20 00 96 9C 2A 02 00 00
{285} normal block at 0x0000022A9C966250, 16 bytes long.
Data: < r * > 20 72 96 9C 2A 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000022A9C966070, 16 bytes long.
Data: < q * > F8 71 96 9C 2A 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000022A9C9605C0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{282} normal block at 0x0000022A9C966980, 16 bytes long.
Data: < q * > D0 71 96 9C 2A 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000022A9C95FF60, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{280} normal block at 0x0000022A9C966110, 16 bytes long.
Data: < q * > 18 71 96 9C 2A 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000022A9C9667A0, 16 bytes long.
Data: < p * > F0 70 96 9C 2A 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000022A9C966F70, 16 bytes long.
Data: < p * > C8 70 96 9C 2A 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000022A9C966520, 16 bytes long.
Data: < p * > A0 70 96 9C 2A 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000022A9C9666B0, 16 bytes long.
Data: <xp * > 78 70 96 9C 2A 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000022A9C966B60, 16 bytes long.
Data: <Pp * > 50 70 96 9C 2A 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000022A9C966930, 16 bytes long.
Data: < * > B0 0F 96 9C 2A 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000022A9C960FB0, 40 bytes long.
Data: <0i * * > 30 69 96 9C 2A 02 00 00 B0 97 95 9C 2A 02 00 00
{271} normal block at 0x0000022A9C966660, 16 bytes long.
Data: <0p * > 30 70 96 9C 2A 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000022A9C9668E0, 16 bytes long.
Data: < p * > 08 70 96 9C 2A 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000022A9C960740, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{268} normal block at 0x0000022A9C9665C0, 16 bytes long.
Data: < o * > E0 6F 96 9C 2A 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000022A9C966FE0, 992 bytes long.
Data: < e * @ * > C0 65 96 9C 2A 02 00 00 40 07 96 9C 2A 02 00 00
{103} normal block at 0x0000022A9C960200, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{102} normal block at 0x0000022A9C95D960, 16 bytes long.
Data: < * > B0 08 96 9C 2A 02 00 00 00 00 00 00 00 00 00 00
{101} normal block at 0x0000022A9C9608B0, 40 bytes long.
Data: <` * * > 60 D9 95 9C 2A 02 00 00 00 02 96 9C 2A 02 00 00
{78} normal block at 0x0000022A9C95D910, 16 bytes long.
Data: < t| > 80 EA 74 7C F7 7F 00 00 00 00 00 00 00 00 00 00
{77} normal block at 0x0000022A9C95D8C0, 16 bytes long.
Data: <@ t| > 40 E9 74 7C F7 7F 00 00 00 00 00 00 00 00 00 00
{76} normal block at 0x0000022A9C95E180, 16 bytes long.
Data: < Wq| > F8 57 71 7C F7 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x0000022A9C95E720, 16 bytes long.
Data: < Wq| > D8 57 71 7C F7 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x0000022A9C95E5E0, 16 bytes long.
Data: <P q| > 50 04 71 7C F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x0000022A9C95DF50, 16 bytes long.
Data: <0 q| > 30 04 71 7C F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000022A9C95DAF0, 16 bytes long.
Data: < q| > E0 02 71 7C F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000022A9C95DA00, 16 bytes long.
Data: < q| > 10 04 71 7C F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000022A9C95DE10, 16 bytes long.
Data: <p q| > 70 04 71 7C F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000022A9C95DAA0, 16 bytes long.
Data: < o| > 18 C0 6F 7C F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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