Task 38698781
| Name | test_264-GPUGRID_TEST_ATM_40STEP_20261023-34-40-RND0312_0 |
| Workunit | 31639266 |
| Created | 3 Nov 2026, 2:26:53 UTC |
| Sent | 3 Nov 2026, 2:26:55 UTC |
| Report deadline | 8 Nov 2026, 2:26:55 UTC |
| Received | 4 Nov 2026, 2:14:56 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 637745 |
| Run time | 36 min 20 sec |
| CPU time | 7 min 24 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 21,553.70 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 700.56 MB |
| Peak swap size | 8.42 GB |
| Peak disk usage | 4.44 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
18:28:30 (14956): wrapper (7.9.26016): starting
18:28:30 (14956): 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
18:28:31 (14956): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:28:31 (14956): 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\0\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\0\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) : {3835170} normal block at 0x000001F97699A990, 8 bytes long.
Data: < 6x > 00 00 36 78 F9 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833952} normal block at 0x000001F9785E8F10, 1080 bytes long.
Data: <|U > 7C 55 00 00 CD CD CD CD F0 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000001F97698F310, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
18:48:12 (5604): wrapper (7.9.26016): starting
18:48:12 (5604): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849853} normal block at 0x00000256E520B610, 8 bytes long.
Data: < V > 00 00 D8 E6 56 02 00 00
..\lib\diagnostics_win.cpp(417) : {3848635} normal block at 0x00000256E6FE3360, 1080 bytes long.
Data: < . > E0 2E 00 00 CD CD CD CD 20 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x00000256E51FF950, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
19:03:50 (7664): wrapper (7.9.26016): starting
19:03:50 (7664): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849853} normal block at 0x000002621233C170, 8 bytes long.
Data: < b > 00 00 DD 13 62 02 00 00
..\lib\diagnostics_win.cpp(417) : {3848635} normal block at 0x0000026214042AE0, 1080 bytes long.
Data: < M > DC 4D 00 00 CD CD CD CD F4 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x0000026212330150, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
15:54:18 (22688): wrapper (7.9.26016): starting
15:54:18 (22688): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849853} normal block at 0x000001F7BF03B800, 8 bytes long.
Data: < > 00 00 00 BF F7 01 00 00
..\lib\diagnostics_win.cpp(417) : {3848635} normal block at 0x000001F7BF02C2C0, 1080 bytes long.
Data: < $ | > C8 24 00 00 CD CD CD CD 7C 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000001F7BF02FBD0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
18:01:04 (7672): wrapper (7.9.26016): starting
18:01:04 (7672): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\0\tmp already exists.
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
18:14:15 (7672): C:/Windows/system32/cmd.exe exited; CPU time 133.406250
18:14:15 (7672): 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: 14487388 bytes.
Dumping objects ->
{3849941} normal block at 0x0000019AAB4A0C30, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3849930} normal block at 0x0000019AAB4A1250, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3849919} normal block at 0x0000019AAB4A16B0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3849908} normal block at 0x0000019AAB4A0840, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3849897} normal block at 0x0000019AAB4A1170, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3849866} normal block at 0x0000019AAB592B20, 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) : {3849853} normal block at 0x0000019AA98DACB0, 8 bytes long.
Data: < Š©š > 00 00 8A A9 9A 01 00 00
{3848636} normal block at 0x0000019AA98DAF30, 8 bytes long.
Data: <ÀÂŒ©š > C0 C2 8C A9 9A 01 00 00
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x0000019AA98CF810, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000019AA98D9D80, 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 0x0000019AA98E2CD0, 16 bytes long.
Data: <Ø=Ž©š > D8 3D 8E A9 9A 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000019AA98E3680, 16 bytes long.
Data: <°=Ž©š > B0 3D 8E A9 9A 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000019AA98DC960, 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 0x0000019AA98E3590, 16 bytes long.
Data: < =Ž©š > 88 3D 8E A9 9A 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000019AA98E2C80, 16 bytes long.
Data: <`=Ž©š > 60 3D 8E A9 9A 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000019AA98E2F50, 16 bytes long.
Data: <8=Ž©š > 38 3D 8E A9 9A 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000019AA98E32C0, 16 bytes long.
Data: < =Ž©š > 10 3D 8E A9 9A 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000019AA98DE5C0, 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 0x0000019AA98E3040, 16 bytes long.
Data: < 挩š > 88 E6 8C A9 9A 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000019AA98DD260, 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 0x0000019AA98E31D0, 16 bytes long.
Data: <`挩š > 60 E6 8C A9 9A 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000019AA98E3400, 16 bytes long.
Data: <8挩š > 38 E6 8C A9 9A 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000019AA98E3630, 16 bytes long.
Data: < 挩š > 10 E6 8C A9 9A 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000019AA98E3540, 16 bytes long.
Data: <è匩š > E8 E5 8C A9 9A 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000019AA98E2B90, 16 bytes long.
Data: <À匩š > C0 E5 8C A9 9A 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000019AA98E2DC0, 16 bytes long.
Data: < 匩š > 98 E5 8C A9 9A 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000019AA98DD200, 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 0x0000019AA98E3360, 16 bytes long.
Data: <p匩š > 70 E5 8C A9 9A 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000019AA98CE570, 320 bytes long.
Data: <`3Ž©š Ò ©š > 60 33 8E A9 9A 01 00 00 00 D2 8D A9 9A 01 00 00
{272} normal block at 0x0000019AA98E34F0, 16 bytes long.
Data: <ð<Ž©š > F0 3C 8E A9 9A 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000019AA98E2B40, 16 bytes long.
Data: <È<Ž©š > C8 3C 8E A9 9A 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000019AA98DCBA0, 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 0x0000019AA98E3180, 16 bytes long.
Data: < <Ž©š > A0 3C 8E A9 9A 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000019AA98DCE40, 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 0x0000019AA98E3950, 16 bytes long.
Data: <è;Ž©š > E8 3B 8E A9 9A 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000019AA98E37C0, 16 bytes long.
Data: <À;Ž©š > C0 3B 8E A9 9A 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000019AA98E30E0, 16 bytes long.
Data: < ;Ž©š > 98 3B 8E A9 9A 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000019AA98E3130, 16 bytes long.
Data: <p;Ž©š > 70 3B 8E A9 9A 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000019AA98E2D70, 16 bytes long.
Data: <H;Ž©š > 48 3B 8E A9 9A 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000019AA98E2BE0, 16 bytes long.
Data: < ;Ž©š > 20 3B 8E A9 9A 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000019AA98E2EB0, 16 bytes long.
Data: <@â ©š > 40 E2 8D A9 9A 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000019AA98DE240, 40 bytes long.
Data: <°.Ž©š +Y«š > B0 2E 8E A9 9A 01 00 00 20 2B 59 AB 9A 01 00 00
{258} normal block at 0x0000019AA98E3090, 16 bytes long.
Data: < ;Ž©š > 00 3B 8E A9 9A 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000019AA98E3A40, 16 bytes long.
Data: <Ø:Ž©š > D8 3A 8E A9 9A 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000019AA98DD380, 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 0x0000019AA98E39F0, 16 bytes long.
Data: <°:Ž©š > B0 3A 8E A9 9A 01 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x0000019AA98E3AB0, 992 bytes long.
Data: <ð9Ž©š Ó ©š > F0 39 8E A9 9A 01 00 00 80 D3 8D A9 9A 01 00 00
{90} normal block at 0x0000019AA98DCF00, 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 0x0000019AA98DB110, 16 bytes long.
Data: <@é ©š > 40 E9 8D A9 9A 01 00 00 00 00 00 00 00 00 00 00
{88} normal block at 0x0000019AA98DE940, 40 bytes long.
Data: < ± ©š Ï ©š > 10 B1 8D A9 9A 01 00 00 00 CF 8D A9 9A 01 00 00
{67} normal block at 0x0000019AA98DAC60, 16 bytes long.
Data: < ê.\÷ > 80 EA 2E 5C F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000019AA98DAA30, 16 bytes long.
Data: <@é.\÷ > 40 E9 2E 5C F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000019AA98DABC0, 16 bytes long.
Data: <øW+\÷ > F8 57 2B 5C F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000019AA98DAD50, 16 bytes long.
Data: <ØW+\÷ > D8 57 2B 5C F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000019AA98DB0C0, 16 bytes long.
Data: <P +\÷ > 50 04 2B 5C F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000019AA98DAB70, 16 bytes long.
Data: <0 +\÷ > 30 04 2B 5C F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000019AA98DB1B0, 16 bytes long.
Data: <à +\÷ > E0 02 2B 5C F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000019AA98DB070, 16 bytes long.
Data: < +\÷ > 10 04 2B 5C F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000019AA98DA990, 16 bytes long.
Data: <p +\÷ > 70 04 2B 5C F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x0000019AA98DA7B0, 16 bytes long.
Data: < À)\÷ > 18 C0 29 5C F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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